Effective atomic numbers and electron density of dosimetric material
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Kaginelli S
2009-01-01
Full Text Available A novel method for determination of mass attenuation coefficient of x-rays employing NaI (Tl detector system and radioactive sources is described.in this paper. A rigid geometry arrangement and gating of the spectrometer at FWHM position and selection of absorber foils are all done following detailed investigation, to minimize the effect of small angle scattering and multiple scattering on the mass attenuation coefficient, m/r, value. Firstly, for standardization purposes the mass attenuation coefficients of elemental foils such as Aluminum, Copper, Molybdenum, Tantalum and Lead are measured and then, this method is utilized for dosimetric interested material (sulfates. The experimental mass attenuation coefficient values are compared with the theoretical values to find good agreement between the theory and experiment within one to two per cent. The effective atomic numbers of the biological substitute material are calculated by sum rule and from the graph. The electron density of dosimetric material is calculated using the effective atomic number. The study has discussed in detail the attenuation coefficient, effective atomic number and electron density of dosimetric material/biological substitutes.
Influence of the electron's anomalous magnetic dipole moment on high-atomic number atoms
International Nuclear Information System (INIS)
Super heavy atoms ( Z > 100 ) are usually studied in the context of the so-called Quantum Electrodynamics of Strong Fields. In this theory the problem of the singularity in the electron energy whenever Z > 137 is overcome. This is done by considering the finite size of the nucleus and leads to interesting phenomena, such as the spontaneous production of positrons. Here, we show that, taking into account the contribution from the Anomalous Magnetic Dipole Moment of the electron ( by means of an effective theory ), within a point nucleus model, is a sufficient condition to obtain regular wave functions and physically acceptable energy values for Z > 137. (author)
International Nuclear Information System (INIS)
Highlights: • Determination of effective atomic and effective electron number is very important. • The Direct-Zeff software calculates effective atomic and effective electron number. • The Direct-Zeff software calculates for total and partial photon interactions. • Calculations of The Direct-Zeff are in good agreement with experimental results. - Abstract: Determination of the mass attenuation coefficient, μ/ρ, the effective atomic number, Zeff, and the effective electron number, Neff, is very important in the fields of nuclear diagnostics, radiation protection, nuclear medicine and radiation dosimetry. In this work, the Direct-Zeff software was developed for the computation of the mass attenuation coefficient, the effective atomic number and the effective electron number per unit mass in the energy range 1 keV–100 GeV. The values of the Zeff, Neff and μ/ρ can be determined for total photon interaction with and without coherent interaction as well as partial photon interactions such as coherent scattering, incoherent scattering, photoelectric absorption and pair production by using the Direct-Zeff software. The accuracy of the Direct-Zeff software has been demonstrated by comparing the calculated data and the experimental values for the various materials. The Direct-Zeff software can be freely obtained by contacting with the authors
Effective atomic numbers and electron densities of bioactive glasses for photon interaction
Energy Technology Data Exchange (ETDEWEB)
Shantappa, Anil, E-mail: anilmalipatil@yahoo.co.in [Department of Physics, Veerappa Nisty Engineering College, Shorapur-585220, KARNATAKA (India); Hanagodimath, S. M., E-mail: smhmath@rediffmail.com [Department of Physics Gulbarga University, Gulbarga-585106, KARNATAKA (India)
2015-08-28
This work was carried out to study the nature of mass attenuation coefficient of bioactive glasses for gamma rays. Bioactive glasses are a group of synthetic silica-based bioactive materials with unique bone bonding properties. In the present study, we have calculated the effective atomic number, electron density for photon interaction of some selected bioactive glasses viz., SiO{sub 2}-Na{sub 2}O, SiO{sub 2}-Na{sub 2}O-CaO and SiO{sub 2}-Na{sub 2}O-P{sub 2}O{sub 5} in the energy range 1 keV to 100 MeV. We have also computed the single valued effective atomic number by using XMuDat program. It is observed that variation in effective atomic number (Z{sub PI,} {sub eff}) depends also upon the weight fractions of selected bioactive glasses and range of atomic numbers of the elements. The results shown here on effective atomic number, electron density will be more useful in the medical dosimetry for the calculation of absorbed dose and dose rate.
Effective atomic numbers and electron densities of bioactive glasses for photon interaction
Shantappa, Anil; Hanagodimath, S. M.
2015-08-01
This work was carried out to study the nature of mass attenuation coefficient of bioactive glasses for gamma rays. Bioactive glasses are a group of synthetic silica-based bioactive materials with unique bone bonding properties. In the present study, we have calculated the effective atomic number, electron density for photon interaction of some selected bioactive glasses viz., SiO2-Na2O, SiO2-Na2O-CaO and SiO2-Na2O-P2O5 in the energy range 1 keV to 100 MeV. We have also computed the single valued effective atomic number by using XMuDat program. It is observed that variation in effective atomic number (ZPI, eff) depends also upon the weight fractions of selected bioactive glasses and range of atomic numbers of the elements. The results shown here on effective atomic number, electron density will be more useful in the medical dosimetry for the calculation of absorbed dose and dose rate.
International Nuclear Information System (INIS)
Highlights: • The gamma shielding properties of eight shielding materials have been investigated. • We calculated the total mass attenuation coefficients by using WinXCom program. • The values of effective atomic number and electron density are also calculated. • All parameters depend on chemical content and the incident photon energy. • The Field castable Heat Resistant is the most effective shielding material. - Abstract: In this paper, the interaction of gamma rays with some shielding materials has been studied. The total mass attenuation coefficient (μt) for eight shielding materials has been calculated by using WinXCOM program in the energy range from 1 keV to 100 GeV. Also, the effective atomic number (Zeff) and the effective electron density (Neff) were calculated using the values of the total mass attenuation coefficient. The dependence of these parameters on the incident photon energy and the chemical composition has been examined
Quantitative imaging of electron density and effective atomic number using phase contrast CT
Qi, Zhihua; Zambelli, Joseph; Bevins, Nicholas; Chen, Guang-Hong
2010-05-01
Compared to single energy CT, which only provides information for x-ray linear attenuation coefficients, dual-energy CT is able to obtain both the electron density and effective atomic number for different materials in a quantitative way. In this study, as an alternative to dual-energy CT, a novel quantitative imaging method based on phase contrast CT is presented. Rather than requiring two projection data sets with different x-ray energy spectra, diffraction-grating-based phase contrast CT is capable of reconstructing images of both linear attenuation and refractive index decrement from the same projection data using a single x-ray energy spectra. From the two images, quantitative information of both the electron density and effective atomic number can be extracted. Two physical phantoms were constructed and used to validate the presented method. Experimental results demonstrate that (1) electron density can be accurately determined from refractive index decrement through a linear relationship, and (2) the effective atomic number can be explicitly derived from the ratio of the linear attenuation to refractive index decrement using a power function plus a constant. The presented method will provide insight into the technique of material separation and find its use in medical and industrial applications.
Quantitative imaging of electron density and effective atomic number using phase contrast CT
International Nuclear Information System (INIS)
Compared to single energy CT, which only provides information for x-ray linear attenuation coefficients, dual-energy CT is able to obtain both the electron density and effective atomic number for different materials in a quantitative way. In this study, as an alternative to dual-energy CT, a novel quantitative imaging method based on phase contrast CT is presented. Rather than requiring two projection data sets with different x-ray energy spectra, diffraction-grating-based phase contrast CT is capable of reconstructing images of both linear attenuation and refractive index decrement from the same projection data using a single x-ray energy spectra. From the two images, quantitative information of both the electron density and effective atomic number can be extracted. Two physical phantoms were constructed and used to validate the presented method. Experimental results demonstrate that (1) electron density can be accurately determined from refractive index decrement through a linear relationship, and (2) the effective atomic number can be explicitly derived from the ratio of the linear attenuation to refractive index decrement using a power function plus a constant. The presented method will provide insight into the technique of material separation and find its use in medical and industrial applications.
Indian Academy of Sciences (India)
Shivalinge Gowda; S Krishnaveni; T Yashoda; T K Umesh; Ramakrishna Gowda
2004-09-01
Photon mass attenuation coefficients of some thermoluminescent dosimetric (TLD) compounds, such as LiF, CaCO3, CaSO4, CaSO4·2H2O, SrSO4, CdSO4, BaSO4, C4H6BaO4 and 3CdSO4·8H2O were determined at 279.2, 320.07, 514.0, 661.6, 1115.5, 1173.2 and 1332.5 keV in a well-collimated narrow beam good geometry set-up using a high resolution, hyper pure germanium detector. The attenuation coefficient data were then used to compute the effective atomic number and the electron density of TLD compounds. The interpolation of total attenuation cross-sections of photons of energy in elements of atomic number was performed using the logarithmic regression analysis of the data measured by the authors and reported earlier. The best-fit coefficients so obtained in the photon energy range of 279.2 to 320.07 keV, 514.0 to 661.6 keV and 1115.5 to 1332.5 keV by a piece-wise interpolation method were then used to find the effective atomic number and electron density of the compounds. These values are found to be in agreement with other available published values.
International Nuclear Information System (INIS)
The mass attenuation coefficients of some amino acids, such as DL-aspartic acid-LR(C4H7NO4), L-glutamine (C4H10N2O3), creatine monohydrate LR(C4H9N3O2H2O), creatinine hydrochloride (C4H7N3O·HCl) L-asparagine monohydrate(C4H9N3O2H2O), L-methionine LR(C5H11NO2S), were measured at 122, 356, 511, 662, 1170, 1275 and 1330 keV photon energies using a well-collimated narrow beam good geometry set-up. The gamma-rays were detected using NaI (Tl) scintillation detection system with a resolution of 0.101785 at 662 keV. The attenuation coefficient data were then used to obtain the effective atomic numbers (Zeff), and effective electron densities (Neff) of amino acids. It was observed that the effective atomic number (Zeff) and effective electron densities (Neff) initially decrease and tend to be almost constant as a function of gamma-ray energy. Zeff and Neff experimental values showed good agreement with the theoretical values with less than 1% error for amino acids. - Highlights: • We report the values of mass attenuation coefficients (μ/ρ). • The values of (Zeff) i.e. effective atomic number are calculated. • Measurement of effective electron density (Neff) of some amino acids. • Comparison of all μ/ρ values with XCOM programme
International Nuclear Information System (INIS)
Some building materials, regularly used in Turkey, such as sand, cement, gas concrete (lightweight, aerated concrete), tile and brick, have been investigated in terms of mass attenuation coefficient, effective atomic, numbers (Zeff), effective electron densities (Ne) and photon interaction cross section (σa) at 14 different energies from 81- to 1332-keV gamma-ray energies. The gamma rays were detected by using gamma-ray spectroscopy, a High Purity Germanium (HPGe) detector. The elemental compositions of samples were analysed using an energy dispersive X-ray fluorescence spectrometer. Mass attenuation coefficients of these samples have been compared with tabulations based upon the results of WinXcom. The theoretical mass attenuation coefficients were estimated using the mixture rule and the experimental values of investigated parameters were compared with the calculated values. The agreement of measured values of mass attenuation coefficient, effective atomic numbers, effective electron densities and photon interaction cross section with the theory has been found to be quite satisfactory. (authors)
Kore, Prashant S.; Pawar, Pravina P.
2014-05-01
The mass attenuation coefficients of some amino acids, such as DL-aspartic acid-LR(C4H7NO4), L-glutamine (C4H10N2O3), creatine monohydrate LR(C4H9N3O2H2O), creatinine hydrochloride (C4H7N3O·HCl) L-asparagine monohydrate(C4H9N3O2H2O), L-methionine LR(C5H11NO2S), were measured at 122, 356, 511, 662, 1170, 1275 and 1330 keV photon energies using a well-collimated narrow beam good geometry set-up. The gamma-rays were detected using NaI (Tl) scintillation detection system with a resolution of 0.101785 at 662 keV. The attenuation coefficient data were then used to obtain the effective atomic numbers (Zeff), and effective electron densities (Neff) of amino acids. It was observed that the effective atomic number (Zeff) and effective electron densities (Neff) initially decrease and tend to be almost constant as a function of gamma-ray energy. Zeff and Neff experimental values showed good agreement with the theoretical values with less than 1% error for amino acids.
Damla, N; Baltas, H; Celik, A; Kiris, E; Cevik, U
2012-07-01
Some building materials, regularly used in Turkey, such as sand, cement, gas concrete (lightweight, aerated concrete), tile and brick, have been investigated in terms of mass attenuation coefficient (μ/ρ), effective atomic, numbers (Z(eff)), effective electron densities (N(e)) and photon interaction cross section (σ(a)) at 14 different energies from 81- to 1332-keV gamma-ray energies. The gamma rays were detected by using gamma-ray spectroscopy, a High Purity Germanium (HPGe) detector. The elemental compositions of samples were analysed using an energy dispersive X-ray fluorescence spectrometer. Mass attenuation coefficients of these samples have been compared with tabulations based upon the results of WinXcom. The theoretical mass attenuation coefficients were estimated using the mixture rule and the experimental values of investigated parameters were compared with the calculated values. The agreement of measured values of mass attenuation coefficient, effective atomic numbers, effective electron densities and photon interaction cross section with the theory has been found to be quite satisfactory. PMID:22128356
Institute of Scientific and Technical Information of China (English)
Cai Da-Feng; Gu Yu-Qiu; Zheng Zhi-Jian; Zhou Wei-Min; Jiao Chun-Ye; Chen Hao; Wen Tian-Shu; Chunyu Shu-Tai
2006-01-01
The effects of atomic number Z on the energy distribution of hot electrons generated by the interaction of 60fs,130m J, 800nm, and 7×1017W/cm2 laser pulses with metallic targets have been studied experimentally. The results show that the number and the effective temperature of hot electrons increase with the atomic number Z of metallic targets, and the temperature of hot electrons are in the range of 190-230keV, which is consistent with a scaling law of hot electrons temperature.
Effective atomic number, electron density and kerma of gamma radiation for oxides of lanthanides
Indian Academy of Sciences (India)
R S Niranjan; B Rudraswamy; N Dhananjaya
2012-03-01
An attempt has been made to estimate the effective atomic number, electron density (0.001 to 105 MeV) and kerma (0.001 to 20 MeV) of gamma radiation for a wide range of oxides of lanthanides using mass attenuation coefﬁcient from WinXCom and mass energy absorption coefﬁcient from Hubbell and Seltzer. The values of these parameters have been found to change with energy for different oxides of lanthanides. The lanthanide oxides ﬁnd remarkable applications in the ﬁeld of medicine, biology, nuclear engineering and space technology. Nano-oxides of lanthanide ﬁnd applications in display and lighting industry.
International Nuclear Information System (INIS)
In this study, the total mass attenuation coefficients (mm) for some homo- and hetero-chain polymers, namely polyamide-6 (PA-6), poly-methyl methacrylate (PMMA), low-density polyethylene (LDPE), polypropylene (PP) and polystyrene (PS) were measured at 59.5, 511, 661.6, 1173.2, 1274.5 and 1332.5 keV photon energies. The samples were separately irradiated with 241Am, 22Na, 137Cs and 60Co (638 kBq) radioactive gamma sources. The measurements were made by performing transmission experiments with a '2 x 2' NaI(Tl) scintillation detector having an energy resolution of 7 % at 662 keV gamma ray from the decay of 137Cs. The effective atomic numbers (Zeff) and the effective electron densities (Neff) were determined experimentally and theoretically using the obtained μm values for the investigated samples. Furthermore, Zeff and Neff of each polymer were computed for total photon interaction cross-sections using theoretical data over a wide energy region from 1 keV to 10 MeV. The experimental values of the selected polymers were found to be in good agreement with the theoretical values. (authors)
Kucuk, Nil; Cakir, Merve; Isitman, Nihat Ali
2013-01-01
In this study, the total mass attenuation coefficients (μ(m)) for some homo- and hetero-chain polymers, namely polyamide-6 (PA-6), poly-methyl methacrylate (PMMA), low-density polyethylene (LDPE), polypropylene (PP) and polystyrene (PS) were measured at 59.5, 511, 661.6, 1173.2, 1274.5 and 1332.5 keV photon energies. The samples were separately irradiated with (241)Am, (22)Na, (137)Cs and (60)Co (638 kBq) radioactive gamma sources. The measurements were made by performing transmission experiments with a 2″×2″ NaI(Tl) scintillation detector having an energy resolution of 7 % at 662 keV gamma ray from the decay of (137)Cs. The effective atomic numbers (Z(eff)) and the effective electron densities (N(eff)) were determined experimentally and theoretically using the obtained μ(m) values for the investigated samples. Furthermore, Z(eff) and N(eff) of each polymer were computed for total photon interaction cross-sections using theoretical data over a wide energy region from 1 keV to 10 MeV. The experimental values of the selected polymers were found to be in good agreement with the theoretical values. PMID:22645382
Han, I; Demir, L
2010-01-01
The total mass attenuation coefficients (mu/rho) for pure Au and Au99Be1, Au88Ge12, Au95Zn5 alloys were measured at 59.5 and 88.0 keV photon energies. The samples were irradiated with 241Am and 109Cd radioactive point source using transmission arrangement. The gamma- rays were counted by a Si(Li) detector with resolution of 160 eV at 5.9 keV. Total atomic and electronic cross-sections (sigmat and sigmae), effective atomic and electron densities (Zeff and Nel) were determined using the obtained mass attenuation coefficients for investigated Au alloys. The theoretical mass attenuation coefficients of each alloy were estimated using mixture rule. PMID:20421703
A new method to measure electron density and effective atomic number using dual-energy CT images
Ramos Garcia, Luis Isaac; Pérez Azorin, José Fernando; Almansa, Julio F.
2016-01-01
The purpose of this work is to present a new method to extract the electron density ({ρ\\text{e}} ) and the effective atomic number (Z eff) from dual-energy CT images, based on a Karhunen-Loeve expansion (KLE) of the atomic cross section per electron. This method was used to calibrate a Siemens Definition CT using the CIRS phantom. The predicted electron density and effective atomic number using 80 kVp and 140 kVp were compared with a calibration phantom and an independent set of samples. The mean absolute deviations between the theoretical and calculated values for all the samples were 1.7 % ± 0.1 % for {ρ\\text{e}} and 4.1 % ± 0.3 % for Z eff. Finally, these results were compared with other stoichiometric method. The application of the KLE to represent the atomic cross section per electron is a promising method for calculating {ρ\\text{e}} and Z eff using dual-energy CT images.
Apaydın, G.; Cengiz, E.; Tıraşoğlu, E.; Aylıkcı, V.; Bakkaloğlu, Ö. F.
2009-05-01
The mass attenuation coefficients for the elements Co, Cu and Ag and a thin film of CoCuAg alloy were measured in the energy range 4.029-38.729 keV. Effective atomic numbers and electron densities were calculated by using these coefficients. The energies were obtained by using secondary targets that were irradiated with gamma-ray photons of 241Am. The x-rays were counted by using a Canberra Ultra-LEGe detector with a resolution of 150 eV at 5.9 keV. The results were compared with theoretical calculated values and fairly good agreement was found between them within an average experimental error. The mass attenuation coefficients, effective atomic numbers and electron densities were plotted versus photon energy.
International Nuclear Information System (INIS)
The mass attenuation coefficients for the elements Co, Cu and Ag and a thin film of CoCuAg alloy were measured in the energy range 4.029-38.729 keV. Effective atomic numbers and electron densities were calculated by using these coefficients. The energies were obtained by using secondary targets that were irradiated with gamma-ray photons of 241Am. The x-rays were counted by using a Canberra Ultra-LEGe detector with a resolution of 150 eV at 5.9 keV. The results were compared with theoretical calculated values and fairly good agreement was found between them within an average experimental error. The mass attenuation coefficients, effective atomic numbers and electron densities were plotted versus photon energy.
Akman, F; Durak, R; Turhan, M F; Kaçal, M R
2015-07-01
The effective atomic numbers and electron densities of some samarium compounds were determined using the experimental total mass attenuation coefficient values near the K edge in the X-ray energy range from 36.847 up to 57.142 keV. The measurements, in the region from 36.847 to 57.142 keV, were done in a transmission geometry utilizing the Kα2, Kα1, Kβ1 and Kβ2 X-rays from different secondary source targets excited by the 59.54 keV gamma-photons from an Am-241 annular source. This paper presents the first measurement of the effective atomic numbers and electron densities for some samarium compounds near the K edge. The results of the study showed that the measured values were in good agreement with the theoretically calculated ones. PMID:25880612
International Nuclear Information System (INIS)
The effective atomic numbers and electron densities of some samarium compounds were determined using the experimental total mass attenuation coefficient values near the K edge in the X-ray energy range from 36.847 up to 57.142 keV. The measurements, in the region from 36.847 to 57.142 keV, were done in a transmission geometry utilizing the Kα2, Kα1, Kβ1 and Kβ2 X-rays from different secondary source targets excited by the 59.54 keV gamma-photons from an Am-241 annular source. This paper presents the first measurement of the effective atomic numbers and electron densities for some samarium compounds near the K edge. The results of the study showed that the measured values were in good agreement with the theoretically calculated ones. - Highlights: • The effective atomic numbers and electron densities determined for some samarium compounds from total mass attenuation coefficients near the K edge. • The measurements performed using secondary excitation geometry and a Si(Li) detector. • The experimental results compared with the theoretical calculation
Analysis and theoretical description of a number of atomic systems with optical 3d-electrons
International Nuclear Information System (INIS)
The goal of the investigation was to obtain knowledge of spectra of multiple ionized atoms in which 3d electrons play an important role. Two vacuum spectrographs were used: a 6.650 m normal incidence spectrograph for the region 400 A < lambda < 2400 A and a 6.600 m grazing incidence spectrograph for the region below 600 A. In the first five chapters the classification of several thousands of lines in the spectra Co V, Ni V, Cu V, Ni VI and Cu VI is given together with the determination of levels in the 3dsup(n), 3dsup(n-1)4s and 3dsup(n-1)4p configurations in these spectra. The position of the levels has been calculated by means of the parameter method. The calculated level values have been fitted to the experimentally determined values by means of a least squares fit procedure, resulting in optimum parameter values. The parameter values of this final diagonalization have been compared with each other along the sequence Cr-Cu for the 2-5 times ionized atoms. This comparison is discussed in chapter VI. In the last chapter (VII) the application of data, obtained from the analyses of spectra of Fe and Ni ions is considered in the field of astrophysics. The presence of forbidden lines, due to magnetic dipole transitions, of Fe IV, V, VI and VII and Ni IV, V, VI and VII in the spectra of the variable stars RR Telescopii and Eta Carinae is discussed. (Auth.)
International Nuclear Information System (INIS)
The number distribution of secondary electrons emitted through energetic ion impact on a thin carbon foil was measured. Projectile ions of 1-MeV/u He2+ or He+ passed through a carbon foil with thickness of 1 μ g/cm2 in a direction of 45o to its surface. Electrons emitted in the forward and backward directions were accelerated by a potential applied to the foil and detected by two solid state detectors (SSDs) in which pulses proportional to the electron number were formed. Transmitted ions were charge analyzed by an electrostatic deflector and detected by the third SSD. The measurement was performed in coincidence with transmitted He2+ ions and in the event-recording mode. For molecular ions, Coulomb explosion fragments, i.e., two He2+ ions were detected after passing an annular slit or conventional circular slit which selects incident molecules with molecular axes perpendicular to or parallel to the ion velocity. The average numbers of electrons emitted in the forward direction are about 1.5 times as large as those in the backward direction for atomic and molecular ions with both orientations. The width of the number distribution is generally wider than that of Poisson distribution with the same average number. Orientation dependence is not recognized in the backward direction but a slight enhancement is found for parallel orientation in the forward direction. The fact that the vicinage effect is observed only for the parallel orientation seems consistent with the density enhancement of the target electrons behind the leading ion. A negative correlation between numbers of electrons emitted in the forward and backward directions is found. (Author)
International Nuclear Information System (INIS)
Highlights: • Measurement of linear attenuation coefficient by simplified ATM method for the oxides of Lanthanides. • Atomic parameters are calculated from linear attenuation coefficients. • Geometrical setup has been validated with metallic targets of uniform thickness. • Experimental results are in good agreement with theoretical results within error limits. - Abstract: The linear and mass attenuation coefficient of non-uniform thick samples of oxides of lanthanide (Pr6O11, Nd2O3, Gd2O3, Tb4O7, Ho2O3 and Er2O3) has been measured by gamma ray photons of energy 59.54 keV obtained from 100 mCi radioactive source of 241Am. Advanced Two Media (ATM) methods Gupta et al. (2013) is simplified by considering air as first medium and metallic foil as second medium. In the present measurements this consideration simplifies the mathematical complexities and laboratory work to find the attenuation coefficients of non-uniform thick samples. The values of attenuation coefficient were then used to calculate effective atomic numbers (Zeff), interaction cross-section (σ) and effective electron densities (Neff) of lanthanide oxides. The method is validated by measuring linear/mass attenuation coefficient and other parameters for Mo, Ag, Sn, W and Pb of uniform thickness. The measured results are compared with the theoretical values from WinXcom Gerward et al. (2001). It is found that measured values are in agreement within 2% of theoretical results. The measurement of linear attenuation coefficient, effective atomic numbers (Zeff), interaction cross-section and effective electron densities (Neff) enhances the understanding of material characteristics. Presently studied materials i.e. oxides of Lanthanide are widely used as glass colouring agent and in electronic sensing devices
Energy Technology Data Exchange (ETDEWEB)
Singh, Gurinderjeet; Gupta, Manoj Kumar, E-mail: mkgupta.sliet@gmail.com; Dhaliwal, A.S.; Kahlon, K.S.
2015-01-15
Highlights: • Measurement of linear attenuation coefficient by simplified ATM method for the oxides of Lanthanides. • Atomic parameters are calculated from linear attenuation coefficients. • Geometrical setup has been validated with metallic targets of uniform thickness. • Experimental results are in good agreement with theoretical results within error limits. - Abstract: The linear and mass attenuation coefficient of non-uniform thick samples of oxides of lanthanide (Pr{sub 6}O{sub 11}, Nd{sub 2}O{sub 3}, Gd{sub 2}O{sub 3}, Tb{sub 4}O{sub 7}, Ho{sub 2}O{sub 3} and Er{sub 2}O{sub 3}) has been measured by gamma ray photons of energy 59.54 keV obtained from 100 mCi radioactive source of {sup 241}Am. Advanced Two Media (ATM) methods Gupta et al. (2013) is simplified by considering air as first medium and metallic foil as second medium. In the present measurements this consideration simplifies the mathematical complexities and laboratory work to find the attenuation coefficients of non-uniform thick samples. The values of attenuation coefficient were then used to calculate effective atomic numbers (Z{sub eff}), interaction cross-section (σ) and effective electron densities (N{sub eff}) of lanthanide oxides. The method is validated by measuring linear/mass attenuation coefficient and other parameters for Mo, Ag, Sn, W and Pb of uniform thickness. The measured results are compared with the theoretical values from WinXcom Gerward et al. (2001). It is found that measured values are in agreement within 2% of theoretical results. The measurement of linear attenuation coefficient, effective atomic numbers (Z{sub eff}), interaction cross-section and effective electron densities (N{sub eff}) enhances the understanding of material characteristics. Presently studied materials i.e. oxides of Lanthanide are widely used as glass colouring agent and in electronic sensing devices.
Calculations of effective atomic number
Energy Technology Data Exchange (ETDEWEB)
Kaliman, Z. [Department of Physics, Faculty of Arts and Sciences, Omladinska 14, Rijeka (Croatia); Orlic, N. [Department of Physics, Faculty of Arts and Sciences, Omladinska 14, Rijeka (Croatia)], E-mail: norlic@ffri.hr; Jelovica, I. [Department of Physics, Faculty of Arts and Sciences, Omladinska 14, Rijeka (Croatia)
2007-09-21
We present and discuss effective atomic number (Z{sub eff}) obtained by different methods of calculations. There is no unique relation between the computed values. This observation led us to the conclusion that any Z{sub eff} is valid only for given process. We illustrate calculations for different subshells of atom Z=72 and for M3 subshell of several other atoms.
Burcu Akça; Erzeneoğlu, Salih Z.
2014-01-01
The mass attenuation coefficients for compounds of biomedically important some elements (Na, Mg, Al, Ca, and Fe) have been measured by using an extremely narrow collimated-beam transmission method in the energy 59.5 keV. Total electronic, atomic, and molecular cross sections, effective atomic numbers, and electron densities have been obtained by using these results. Gamma-rays of 241Am passed through compounds have been detected by a high-resolution Si(Li) detector and by using energy dispers...
Directory of Open Access Journals (Sweden)
Singh Vishwanath P.
2012-01-01
Full Text Available Total mass attenuation coefficients, µm, effective atomic number, Zeff, and effective electron density, Neff, of different gases - carbon dioxide, methane, acetylene, propane, butane, and pentane used in radiation detectors, have been calculated for the photon energy of 1 keV to 100 GeV. Each gas has constant Zeff values between 0.10 to 10 MeV photon energies; however, these values are way far away from ICRU tissue. Carbon dioxide gas shows the closest tissue equivalence in the entire photon energy spectrum. Relative tissue equivalences of the mixtures of gases with respect to ICRU tissue are in the range of 0.998-1.041 for air, argon (4.5% + methane (95.5%, argon (0.5% + carbon dioxide (99.5%, and nitrogen (5% + methane (7% + carbon dioxide (88%. The gas composition of xenon (0.5% + carbon dioxide (99.5% shows 1.605 times higher tissue equivalence compared to the ICRU tissue. The investigated photon interaction parameters are useful for exposure and energy absorption buildup factors calculation and design, and fabrication of gaseous detectors for ambient radiation measurement by the Geiger-Muller detector, ionization chambers and proportional counters.
Energy Technology Data Exchange (ETDEWEB)
Almeida J, A. T. [FUNDACENTRO, Centro Regional de Minas Gerais, Brazilian Institute for Safety and Health at Work, Belo Horizonte, 30180-100 Minas Gerais (Brazil); Nogueira, M. S. [Center of Development of Nuclear Technology / CNEN, Av. Pte. Antonio Carlos 6627, 31270-901 Belo Horizonte, Minas Gerais (Brazil); Santos, M. A. P., E-mail: mnogue@cdtn.br [Regional Center for Nuclear Science / CNEN, 50.740-540 Recife, Pernambuco (Brazil)
2015-10-15
Full text: In this paper, the interaction of X-rays with some shielding materials has been studied for materials containing different amounts of barite and aggregates. The total mass attenuation coefficient (μ{sub t}) for three shielding materials has been calculated by using WinXCOM program in the energy range from RQR qualities (RQR-4, RQR-6, RQR-9, and RQR-10). They were: cream barite (density 2.99 g/cm{sup 3} collected in the State of Sao Paulo), purple barite (density 2.95 g/cm{sup 3} collected in the State of Bahia) and white barite (density 3.10 g/cm{sup 3} collected in the State of Paraiba). The chemical analysis was carried out by an X-ray fluorescence spectrometer model EDX-720, through dispersive energy. The six elements of the higher concentration found in the sample and analyzed by Spectrophotometry of Energy Dispersive X-ray for the samples were Ba(60.9% - white barite), Ca(17,92% - cream barite), Ce(3,60% - white barite), Fe(17,16% - purple barite), S(12,11% - white barite) and Si(29,61% - purple barite). Also, the effective atomic number (Z{sub eff}) and the effective electron density (N{sub eff}) were calculated using the values of the total mass attenuation coefficient. The dependence of these parameters on the incident photon energy and the chemical composition has been examined. (Author)
International Nuclear Information System (INIS)
Full text: In this paper, the interaction of X-rays with some shielding materials has been studied for materials containing different amounts of barite and aggregates. The total mass attenuation coefficient (μt) for three shielding materials has been calculated by using WinXCOM program in the energy range from RQR qualities (RQR-4, RQR-6, RQR-9, and RQR-10). They were: cream barite (density 2.99 g/cm3 collected in the State of Sao Paulo), purple barite (density 2.95 g/cm3 collected in the State of Bahia) and white barite (density 3.10 g/cm3 collected in the State of Paraiba). The chemical analysis was carried out by an X-ray fluorescence spectrometer model EDX-720, through dispersive energy. The six elements of the higher concentration found in the sample and analyzed by Spectrophotometry of Energy Dispersive X-ray for the samples were Ba(60.9% - white barite), Ca(17,92% - cream barite), Ce(3,60% - white barite), Fe(17,16% - purple barite), S(12,11% - white barite) and Si(29,61% - purple barite). Also, the effective atomic number (Zeff) and the effective electron density (Neff) were calculated using the values of the total mass attenuation coefficient. The dependence of these parameters on the incident photon energy and the chemical composition has been examined. (Author)
DEFF Research Database (Denmark)
Manohara, S.R.; Hanagodimath, S.M.; Thind, K.S.;
2008-01-01
A comprehensive and consistent set of formulas is given for calculating the effective atomic number and electron density for all types of materials and for all photon energies greater than 1 keV. The are derived from first principles using photon interaction cross sections of the constituent atoms....... The theory is illustrated by calculations and experiments for molecules of medical and biological interest, glasses for radiation shielding, alloys, minerals and liquids....
Directory of Open Access Journals (Sweden)
Singh Vishwanath P.
2013-01-01
Full Text Available Effective atomic numbers (ZPIeff and electron densities of eighteen alcohols such as wood alcohol, CH3OH; grain alcohol, C2H5OH; rubbing alcohol, C3H7OH; butanol, C4H9OH; amyl alcohol, C5H11OH; cetyl alcohol, C16H33OH; ethylene glycol, C2H4(OH2; glycerin, C3H5(OH3; PVA, C2H4O; erythritol, C4H6(OH4; xylitol, C5H7(OH5; sorbitol, C6H8(OH6; volemitol, C7H9(OH7; allyl alcohol, C3H5OH; geraniol, C10H17OH; propargyl alcohol, C3H3OH; inositol, C6H6(OH6, and menthol, C10H19OH have been calculated in the photon energy region of 1 keV-100 GeV. The estimated values have been compared with experimental values wherever possible. The comparison of ZPIeff of the alcohols with water phantom and PMMA phantom indicate that the ethylene glycol, glycerin, and PVA are substitute for PMMA phantom and PVA is substitute of water phantom. ZPIeff of alcohols have also been compared with human organs and tissues. Ethylene glycol, glycerin and PVA, allyl alcohol, and wood alcohols are found tissue substitutes for most of human organs. Kerma which is the product of the energy fluence and mass energy-absorption coefficient, have been calculated in the energy region from 1 keV to 20 MeV for the alcohols. The results show the kerma is more or less independent of energy above 100 keV.
International Nuclear Information System (INIS)
Purpose: For accurate tissue inhomogeneity correction in radiotherapy treatment planning, the authors had previously proposed a novel conversion of the energy-subtracted CT number to an electron density (ΔHU–ρe conversion), which provides a single linear relationship between ΔHU and ρe over a wide ρe range. The purpose of this study is to address the limitations of the conversion method with respect to atomic number (Z) by elucidating the role of partial photon interactions in the ΔHU–ρe conversion process. Methods: The authors performed numerical analyses of the ΔHU–ρe conversion for 105 human body tissues, as listed in ICRU Report 46, and elementary substances with Z = 1–40. Total and partial attenuation coefficients for these materials were calculated using the XCOM photon cross section database. The effective x-ray energies used to calculate the attenuation were chosen to imitate a dual-source CT scanner operated at 80–140 kV/Sn under well-calibrated and poorly calibrated conditions. Results: The accuracy of the resultant calibrated electron density,ρecal, for the ICRU-46 body tissues fully satisfied the IPEM-81 tolerance levels in radiotherapy treatment planning. If a criterion of ρecal/ρe − 1 is assumed to be within ±2%, the predicted upper limit of Z applicable for the ΔHU–ρe conversion under the well-calibrated condition is Z = 27. In the case of the poorly calibrated condition, the upper limit of Z is approximately 16. The deviation from the ΔHU–ρe linearity for higher Z substances is mainly caused by the anomalous variation in the photoelectric-absorption component. Conclusions: Compensation among the three partial components of the photon interactions provides for sufficient linearity of the ΔHU–ρe conversion to be applicable for most human tissues even for poorly conditioned scans in which there exists a large variation of effective x-ray energies owing to beam-hardening effects arising from the mismatch between the
Energy Technology Data Exchange (ETDEWEB)
Saito, Masatoshi, E-mail: masaito@clg.niigata-u.ac.jp [Department of Radiological Technology, School of Health Sciences, Faculty of Medicine, Niigata University, Niigata 951-8518 (Japan); Tsukihara, Masayoshi [Division of Radiological Technology, Graduate School of Health Sciences, Niigata University, Niigata 951-8518 (Japan)
2014-07-15
Purpose: For accurate tissue inhomogeneity correction in radiotherapy treatment planning, the authors had previously proposed a novel conversion of the energy-subtracted CT number to an electron density (ΔHU–ρ{sub e} conversion), which provides a single linear relationship between ΔHU and ρ{sub e} over a wide ρ{sub e} range. The purpose of this study is to address the limitations of the conversion method with respect to atomic number (Z) by elucidating the role of partial photon interactions in the ΔHU–ρ{sub e} conversion process. Methods: The authors performed numerical analyses of the ΔHU–ρ{sub e} conversion for 105 human body tissues, as listed in ICRU Report 46, and elementary substances with Z = 1–40. Total and partial attenuation coefficients for these materials were calculated using the XCOM photon cross section database. The effective x-ray energies used to calculate the attenuation were chosen to imitate a dual-source CT scanner operated at 80–140 kV/Sn under well-calibrated and poorly calibrated conditions. Results: The accuracy of the resultant calibrated electron density,ρ{sub e}{sup cal}, for the ICRU-46 body tissues fully satisfied the IPEM-81 tolerance levels in radiotherapy treatment planning. If a criterion of ρ{sub e}{sup cal}/ρ{sub e} − 1 is assumed to be within ±2%, the predicted upper limit of Z applicable for the ΔHU–ρ{sub e} conversion under the well-calibrated condition is Z = 27. In the case of the poorly calibrated condition, the upper limit of Z is approximately 16. The deviation from the ΔHU–ρ{sub e} linearity for higher Z substances is mainly caused by the anomalous variation in the photoelectric-absorption component. Conclusions: Compensation among the three partial components of the photon interactions provides for sufficient linearity of the ΔHU–ρ{sub e} conversion to be applicable for most human tissues even for poorly conditioned scans in which there exists a large variation of effective x
Quantum Electronics for Atomic Physics
Nagourney, Warren
2010-01-01
Quantum Electronics for Atomic Physics provides a course in quantum electronics for researchers in atomic physics. The book covers the usual topics, such as Gaussian beams, cavities, lasers, nonlinear optics and modulation techniques, but also includes a number of areas not usually found in a textbook on quantum electronics. It includes such practical matters as the enhancement of nonlinear processes in a build-up cavity, impedance matching into a cavity, laser frequencystabilization (including servomechanism theory), astigmatism in ring cavities, and atomic/molecular spectroscopic techniques
Directory of Open Access Journals (Sweden)
Burcu Akça
2014-01-01
Full Text Available The mass attenuation coefficients for compounds of biomedically important some elements (Na, Mg, Al, Ca, and Fe have been measured by using an extremely narrow collimated-beam transmission method in the energy 59.5 keV. Total electronic, atomic, and molecular cross sections, effective atomic numbers, and electron densities have been obtained by using these results. Gamma-rays of 241Am passed through compounds have been detected by a high-resolution Si(Li detector and by using energy dispersive X-ray fluorescence spectrometer (EDXRF. Obtained results have been compared with theoretically calculated values of WinXCom and FFAST. The relative difference between the experimental and theoretical values are −9.4% to +11.9% with WinXCom and −11.8% to +11.7% FFAST. Results have been presented and discussed in this paper.
International Nuclear Information System (INIS)
This book is a comprehensive introduction to electron-atom collisions, covering both theory and experiment. The interaction of electrons with atoms is the field that most deeply probes both the structure and reaction dynamics of a many-body system. The book begins with a short account of experimental techniques of cross-section measurement. It then introduces the essential quantum mechanics background needed. The following chapters cover one-electron problems (from the classic particle in a box to a relativistic electron in a central potential), the theory of atomic bound states, formal scattering theory, calculation of scattering amplitudes, spin-independent and spin-dependent scattering observables, ionisation and electron momentum spectroscopy. The connections between experimental and theoretical developments are emphasised throughout. (author)
International Nuclear Information System (INIS)
A survey of the literature shows that the values found for the excitation parameters (temperature and electron number density) in an inductively coupled radio-frequency argon plasma at atmospheric pressure (ICP) depend on the plasma configuration and the measuring procedure. The present study proposes a novel method for measuring excitation temperatures that does not require a knowledge of transition probabilities. The experimental work concerns measurements of the spatial distributions of the temperature, the number densities of the electrons and various atomic and ionic species in a low-power (approximately o.5kW) ICP for analytical purposes operated at either of two extreme carrier gas flow rates. Observations were made at three different heights above the induction coil. At high flow rate (approximately 51/min) the familiar hollow configuration of the plasma is demonstrated by off-axis maxima for the temperature and the number densities of electrons and atomic species at all observation heights. At low flow rate (approximately 1 l./min), the radial atom number density distributions are parabolically shaped and constricted to a smaller channel at all observation heights. The authors conclude from the results that both the plasma configurations are not in a state of complete local thermal equilibrium at observation heights used for analytical work (i.e., above the coil)
International Nuclear Information System (INIS)
A series of simple stopping power (SP) formulas, modified from the relativistic Bethe equation, is presented that is based on the concepts of target effective atomic number and mean excitation energy (MEE). The analytical model function is constructed to approximate experimental or calculated SPs at low electron energies and tend asymptotically to the relativistic Bethe function at high energies. The energy dependencies of our effective values, in contrast with theoretical approaches, are defined empirically by parametrization with tuning parameters. A least-squares fitting routine based on the Levenberg–Marquardt algorithm was developed. We utilize the material parameters and numerical calculations of SPs from optical data using the full Penn-algorithm. Our formula is thought to be applicable for energies above 60 eV. Our simulations of SPs for 41 elemental solids are found to be in good agreement with published numerical results. The flexibility of a general empirical formula is shown. Shortened formulas were developed that are applicable for particular energy ranges, and effective MEEs are proposed that differ from previously recommended values. The presented formulas may be used for analytical calculation of SPs over a broad projectile energy region
Pawar, Pravina P.; Bichile, Govind K.
2013-11-01
The total mass attenuation coefficients of some amino acids, such as Glycine (C2H5NO2), DL-Alanine (C3H7NO2), Proline (C5H9NO2), L-Leucine (C6H13NO2 ), L-Arginine (C6H14N4O2) and L-Arginine Monohydrochloride (C6H15ClN4O2), were measured at 122, 356, 511, 662, 1170, 1275 and 1330 keV photon energies using a well-collimated narrow beam good geometry set-up. The gamma rays were detected using NaI (Tl) scintillation detection system with a resolution of 10.2% at 662 keV. The attenuation coefficient data were then used to obtain the effective atomic numbers (Zeff) and effective electron densities (Neff) of amino acids. It was observed that the effective atomic number (Zeff) and effective electron densities (Neff) tend to be almost constant as a function of gamma-ray energy. The results show that, the experimental values of mass attenuation coefficients, effective atomic numbers and effective electron densities are in good agreement with the theoretical values with less than 1% error.
Mohammad W. Marashdeh; Ibrahim F. Al-Hamarneh; Eid M. Abdel Munem; A.A. Tajuddin; Alawiah Ariffin; Saleh Al-Omari
2015-01-01
Rhizophora spp. wood has the potential to serve as a solid water or tissue equivalent phantom for photon and electron beam dosimetry. In this study, the effective atomic number (Zeff) and effective electron density (Neff) of raw wood and binderless Rhizophora spp. particleboards in four different particle sizes were determined in the 10–60 keV energy region. The mass attenuation coefficients used in the calculations were obtained using the Monte Carlo N-Particle (MCNP5) simulation code. The M...
International Nuclear Information System (INIS)
A combination of experiment [optical emission and cavity ring-down spectroscopy (CRDS) of electronically excited H atoms] and two-dimensional (2D) modeling has enabled a uniquely detailed characterization of the key properties of the Ar/H2 plasma within a ≤10-kW, twin-nozzle dc arc jet reactor. The modeling provides a detailed description of the initial conditions in the primary torch head and of the subsequent expansion of the plasma into the lower pressure reactor chamber, where it forms a cylindrical plume of activated gas comprising mainly of Ar, Ar+, H, ArH+, and free electrons. Subsequent reactions lead to the formation of H2 and electronically excited atoms, including H(n=2) and H(n=3) that radiate photons, giving the plume its characteristic intense emission. The modeling successfully reproduces the measured spatial distributions of H(n>1) atoms, and their variation with H2 flow rate, FH20. Computed H(n=2) number densities show near-quantitative agreement with CRDS measurements of H(n=2) absorption via the Balmer-β transition, successfully capturing the observed decrease in H(n=2) density with increased FH20. Stark broadening of the Balmer-β transition depends upon the local electron density in close proximity to the H(n=2) atoms. The modeling reveals that, at low FH20, the maxima in the electron and H(n=2) atom distributions occur in different spatial regions of the plume; direct analysis of the Stark broadening of the Balmer-β line would thus lead to an underestimate of the peak electron density. The present study highlights the necessity of careful intercomparisons between quantitative experimental data and model predictions in the development of a numerical treatment of the arc jet plasma. The kinetic scheme used here succeeds in describing many disparate observations--e.g., electron and H(n=2) number densities, spatial distributions of optical emission from the plume, the variation of these quantities with added flow of H2 and, when CH4 is added
International Nuclear Information System (INIS)
The effective atomic numbers and electron densities of the amino acids glycine, alanine, serine, valine, threonine, leucine, isoleucine, aspartic acid, lysine, glutamic acid, histidine, phenylalanine, arginine, tyrosine, tryptophane and the sugars arabinose, ribose, glucose, galactose, mannose, fructose, rhamnose, maltose, melibiose, melezitose and raffinose at the energies 30.8, 35.0, 81.0, 145, 276.4, 302.9, 356, 383.9, 661.6, 1173 and 1332.5 keV were calculated by using the measured total attenuation cross-sections. The interpolations of total attenuation cross-sections for photons of energy E in elements of atomic number Z was performed using the logarithmic regression analysis of the XCOM data in the photon energy region 30-1500 keV. The best-fit coefficients obtained by a piece wise interpolation method were used to find the effective atomic number and electron density of the compounds. These values are found to be in good agreement with the theoretical values calculated based on XCOM data
Areshkin, Denis A.; Nikolić, Branislav K.
2010-04-01
The recent fabrication of graphene nanoribbon (GNR) field-effect transistors poses a challenge for first-principles modeling of carbon nanoelectronics due to many thousand atoms present in the device. The state of the art quantum transport algorithms, based on the nonequilibrium Green function formalism combined with the density-functional theory (NEGF-DFT), were originally developed to calculate self-consistent electron density in equilibrium and at finite bias voltage (as a prerequisite to obtain conductance or current-voltage characteristics, respectively) for small molecules attached to metallic electrodes where only a few hundred atoms are typically simulated. Here we introduce combination of two numerically efficient algorithms which make it possible to extend the NEGF-DFT framework to device simulations involving large number of atoms. Our first algorithm offers an alternative to the usual evaluation of the equilibrium part of electron density via numerical contour integration of the retarded Green function in the upper complex half-plane. It is based on the replacement of the Fermi function f(E) with an analytic function f˜(E) coinciding with f(E) inside the integration range along the real axis, but decaying exponentially in the upper complex half-plane. Although f˜(E) has infinite number of poles, whose positions and residues are determined analytically, only a finite number of those poles have non-negligible residues. We also discuss how this algorithm can be extended to compute the nonequilibrium contribution to electron density, thereby evading cumbersome real-axis integration (within the bias voltage window) of NEGFs which is very difficult to converge for systems with large number of atoms while maintaining current conservation. Our second algorithm combines the recursive formulas with the geometrical partitioning of an arbitrary multiterminal device into nonuniform segments in order to reduce the computational complexity of the retarded Green
Electron scattering from atoms
International Nuclear Information System (INIS)
Methods for electron scattering fall into two main classes : coupled channels methods involve an expansion of the total wave function in target eigenstates; R-matrix methods use a CI expansion for the whole electron-plus-target problem in a finite region of space outside which the electron feels no potential (or only the residual Coulomb potential in the case of charged targets). This problem has no continuum. It has discrete states with arbitrarily-high energies. The wave functions for the finite-range problem are matched to the known external wave functions at the boundary. Experimental data from studies on electron-hydrogen scattering, electron sodium scattering, electron scattering to singlet and triplet states of helium and electron scattering to and from magnesium are reviewed. The coupled-channels-optical model, coupled-channels with ad hoc pseudostates, and R-matrix theory are complete calculations in that no aspects of scattering are omitted, although approximations are of course made. The methods are in at least semi-quantitative agreement with each other where comparison is possible. Experiments in general are in agreement with each other. However for all atoms there are significant disagreements between theory and experiment for small differential cross sections. Total cross sections agree quite well
Tatsugami, Fuminari; Higaki, Toru; Kiguchi, Masao; Tsushima, So; Taniguchi, Akira; Kaichi, Yoko; Yamagami, Takuji; Awai, Kazuo
2014-01-01
We evaluated the accuracy of the electron densities and effective atomic numbers determined by raw data-based dual-energy analysis on a 320-detector computed tomography scanner. The mean (SD) errors between the measured and true electron densities and between the measured and true effective atomic numbers were 1.3% (1.5%) and 3.1% (3.2%), respectively. Electron densities and effective atomic numbers can be determined with high accuracy, which may help to improve accuracy in radiotherapy treatment planning. PMID:24983439
More, Chaitali V.; Lokhande, Rajkumar M.; Pawar, Pravina P.
2016-08-01
Photon attenuation coefficient calculation methods have been widely used to accurately study the properties of amino acids such as n-acetyl-L-tryptophan, n-acetyl-L-tyrosine, D-tryptophan, n-acetyl-L-glutamic acid, D-phenylalanine, and D-threonine. In this study, mass attenuation coefficients (μm) of these amino acids for 0.122-, 0.356-, 0.511-, 0.662-, 0.884-, 1.170, 1.275-, 1.330-MeV photons are determined using the radio-nuclides Co57, Ba133, Cs137, Na22, Mn54, and Co60. NaI (Tl) scintillation detection system was used to detect gamma rays with a resolution of 8.2% at 0.662 MeV. The calculated attenuation coefficient values were then used to determine total atomic cross sections (σt), molar extinction coefficients (ε), electronic cross sections (σe), effective atomic numbers (Zeff), and effective electron densities (Neff) of the amino acids. Theoretical values were calculated based on the XCOM data. Theoretical and experimental values are found to be in a good agreement (errorenergy are shown graphically. The values of μm, σt, ε, σe are higher at lower energies, and they decrease sharply as energy increases; by contrast, Zeff and Neff were found to be almost constant.
Gounhalli, Shivraj G.; Shantappa, Anil; Hanagodimath, S. M.
2013-04-01
Effective atomic numbers for photon energy absorption ZPEA,eff, photon interaction ZPI,eff and for electron density Nel, have been calculated by a direct method in the photon-energy region from 1 keV to 20 MeV for narcotic drugs, such as Heroin (H), Cocaine (CO), Caffeine (CA), Tetrahydrocannabinol (THC), Cannabinol (CBD), Tetrahydrocannabivarin (THCV). The ZPEA,eff, ZPI,eff and Nel values have been found to change with energy and composition of the narcotic drugs. The energy dependence ZPEA,eff, ZPI,eff and Nel is shown graphically. The maximum difference between the values of ZPEA,eff, and ZPI,eff occurs at 30 keV and the significant difference of 2 to 33% for the energy region 5-100 keV for all drugs. The reason for these differences is discussed.
Energy Technology Data Exchange (ETDEWEB)
Ahmadi, Morteza; Lunscher, Nolan [Waterloo Institute for Nanotechnology and Department of Systems Design Engineering, University of Waterloo, 200 University Ave., W., Waterloo, Ontario, Canada N2L 3G1 (Canada); Yeow, John T.W., E-mail: jyeow@uwaterloo.ca [Waterloo Institute for Nanotechnology and Department of Systems Design Engineering, University of Waterloo, 200 University Ave., W., Waterloo, Ontario, Canada N2L 3G1 (Canada)
2013-04-01
Recently, there has been an interest in fabrication of X-ray sensors based on bacteriorhodopsin, a proton pump protein in cell membrane of Halobacterium salinarium. Therefore, a better understanding of interaction of X-ray photons with bacteriorhodopsin is required. We use WinXCom program to calculate the mass attenuation coefficient of bacteriorhodopsin and its comprising amino acids for photon energies from 1 keV to 100 GeV. These amino acids include alanine, arginine, asparagine, aspartic acid, glutamine, glutamic acid, glycine, isoleucine, leucine, lysine, methionine, phenylalanine, proline, serine, threonine, tryptophan, tyrosine, valine, Asx1, Asx2, Glx1 and Glx2. We then use that data to calculate effective atomic number and electron densities for the same range of energy. We also emphasize on two ranges of energies (10–200 keV and 1–20 MeV) in which X-ray imaging and radiotherapy machines work.
International Nuclear Information System (INIS)
The effective atomic numbers and electron densities of YBa2Cu3O7-δ superconductor at 59.5, 65.2, 77.1, 94.6, 122 and 136 keV were calculated by using the measured mass attenuation coefficients. Measurements were made by performing transmission experiments in a well-collimated narrow beam geometry set-up by employing Si(Li) detector with a resolution of 0.16 keV at 5.9 keV. These values are found to be in good agreement with theoretical values calculated based on XCOM data. The observed crystal structure of YBa2Cu3O7-δ superconductor is close to the theoretical structure. Zeff and Nel experimental values showed good agreement with the theoretical values for calcined and sintered YBa2Cu3O7-δ
Baltaş, H.; Çevik, U.
2008-04-01
The effective atomic numbers and electron densities of YBa 2Cu 3O 7-δ superconductor at 59.5, 65.2, 77.1, 94.6, 122 and 136 keV were calculated by using the measured mass attenuation coefficients. Measurements were made by performing transmission experiments in a well-collimated narrow beam geometry set-up by employing Si(Li) detector with a resolution of 0.16 keV at 5.9 keV. These values are found to be in good agreement with theoretical values calculated based on XCOM data. The observed crystal structure of YBa 2Cu 3O 7-δ superconductor is close to the theoretical structure. Zeff and Nel experimental values showed good agreement with the theoretical values for calcined and sintered YBa 2Cu 3O 7-δ.
International Nuclear Information System (INIS)
Effective atomic numbers, Zeff, and electron densities, neff, are convenient parameters used to characterise the radiation response of a multi-element material in many technical and medical applications. Accurate values of these physical parameters provide essential data in medical physics. In the present study, the effective atomic numbers and electron densities have been calculated for some human tissues and dosimetric materials such as Adipose Tissue (ICRU-44), Bone Cortical (ICRU-44), Brain Grey/White Matter (ICRU-44), Breast Tissue (ICRU-44), Lung Tissue (ICRU-44), Soft Tissue (ICRU-44), LiF TLD-100H, TLD-100, Water, Borosilicate Glass, PAG (Gel Dosimeter), Fricke (Gel Dosimeter) and OSL (Aluminium Oxide) using mean photon energies, Em, of various radiation sources. The used radiation sources are Pd-103, Tc-99, Ra-226, I-131, Ir-192, Co-60, 30 kVp, 40 kVp, 50 kVp (Intrabeam, Carl Zeiss Meditec) and 6 MV (Mohan-6 MV) sources. The Em values were then used to calculate Zeff and neff of the tissues and dosimetric materials for various radiation sources. Different calculation methods for Zeff such as the direct method, the interpolation method and Auto-Zeff computer program were used and agreements and disagreements between the used methods have been presented and discussed. It has been observed that at higher Em values agreement is quite satisfactory (Dif.<5%) between the adopted methods. - Highlights: • Mean energies for different radiation sources have been determined. • Human tissues and dosimetric materials have been investigated according to different sources. • Different methods were applied for calculation of Eeff, Zeff and neff
Directory of Open Access Journals (Sweden)
Mohammad W. Marashdeh
2015-01-01
Full Text Available Rhizophora spp. wood has the potential to serve as a solid water or tissue equivalent phantom for photon and electron beam dosimetry. In this study, the effective atomic number (Zeff and effective electron density (Neff of raw wood and binderless Rhizophora spp. particleboards in four different particle sizes were determined in the 10–60 keV energy region. The mass attenuation coefficients used in the calculations were obtained using the Monte Carlo N-Particle (MCNP5 simulation code. The MCNP5 calculations of the attenuation parameters for the Rhizophora spp. samples were plotted graphically against photon energy and discussed in terms of their relative differences compared with those of water and breast tissue. Moreover, the validity of the MCNP5 code was examined by comparing the calculated attenuation parameters with the theoretical values obtained by the XCOM program based on the mixture rule. The results indicated that the MCNP5 process can be followed to determine the attenuation of gamma rays with several photon energies in other materials.
Marashdeh, Mohammad W.; Al-Hamarneh, Ibrahim F.; Abdel Munem, Eid M.; Tajuddin, A. A.; Ariffin, Alawiah; Al-Omari, Saleh
Rhizophora spp. wood has the potential to serve as a solid water or tissue equivalent phantom for photon and electron beam dosimetry. In this study, the effective atomic number (Zeff) and effective electron density (Neff) of raw wood and binderless Rhizophora spp. particleboards in four different particle sizes were determined in the 10-60 keV energy region. The mass attenuation coefficients used in the calculations were obtained using the Monte Carlo N-Particle (MCNP5) simulation code. The MCNP5 calculations of the attenuation parameters for the Rhizophora spp. samples were plotted graphically against photon energy and discussed in terms of their relative differences compared with those of water and breast tissue. Moreover, the validity of the MCNP5 code was examined by comparing the calculated attenuation parameters with the theoretical values obtained by the XCOM program based on the mixture rule. The results indicated that the MCNP5 process can be followed to determine the attenuation of gamma rays with several photon energies in other materials.
Kurudirek, Murat; Aygun, Murat; Erzeneoğlu, Salih Zeki
2010-06-01
The trommel sieve waste (TSW) which forms during the boron ore production is considered to be a promising building material with its use as an admixture with Portland cement and is considered to be an alternative radiation shielding material, also. Thus, having knowledge on the chemical composition and radiation interaction properties of TSW as compared to other building materials is of importance. In the present study, chemical compositions of the materials used have been determined using a wavelength dispersive X-ray fluorescence spectrometer (WDXRFS). Also, TSW, some commonly used building materials (Portland cement, lime and pointing) and their admixtures with TSW have been investigated in terms of total mass attenuation coefficients (mu/rho), photon interaction cross sections (sigma(t)), effective atomic numbers (Z(eff)) and effective electron densities (N(e)) by using X-rays at 22.1, 25keV and gamma-rays at 88keV photon energies. Possible conclusions were drawn with respect to the variations in photon energy and chemical composition. PMID:20080413
International Nuclear Information System (INIS)
The coupled-channels-optical method has been implemented using two different approximations to the optical potential. The half-on-shell optical potential involves drastic approximations for numerical feasibility but still gives a good semiquantitative description of the effect of uncoupled channels on electron scattering from hydrogen, helium and sodium. The distorted-wave optical potential makes no approximations other than the weak coupling approximation for uncoupled channels. In applications to hydrogen and sodium it shows promise of describing scattering phenomena excellently at all energies. 27 refs., 5 figs
International Nuclear Information System (INIS)
The total mass attenuation coefficients of some amino acids, such as Glycine (C2H5NO2), DL-Alanine (C3H7NO2), Proline (C5H9NO2), L-Leucine (C6H13NO2 ), L-Arginine (C6H14N4O2) and L-Arginine Monohydrochloride (C6H15ClN4O2), were measured at 122, 356, 511, 662, 1170, 1275 and 1330 keV photon energies using a well-collimated narrow beam good geometry set-up. The gamma rays were detected using NaI (Tl) scintillation detection system with a resolution of 10.2% at 662 keV. The attenuation coefficient data were then used to obtain the effective atomic numbers (Zeff) and effective electron densities (Neff) of amino acids. It was observed that the effective atomic number (Zeff) and effective electron densities (Neff) tend to be almost constant as a function of gamma-ray energy. The results show that, the experimental values of mass attenuation coefficients, effective atomic numbers and effective electron densities are in good agreement with the theoretical values with less than 1% error. - Highlights: • Compute the Mass Attenuation Coefficient, effective atomic number and electron density of some amino acids. • Gamma ray attenuation studies on biologically important molecules have been carried out using narrow beam good geometry set up. • The values of Mass Attenuation Coefficient, effective atomic number and electron density of some amino acids are in agreement with the XCOM programme. • The measured mass attenuation coefficient for some amino acids are useful in medical field. • The data is useful in radiation dosimetry and other fields
Doping Scheme in Atomic Chain Electronics
Toshishige, Yamada
1997-01-01
Due to the dramatic reduction in MOS size, there appear many unwanted effects. In these small devices, the number of dopant atoms in the channel is not macroscopic and electrons may suffer significantly different scattering from device to device since the spatial distribution of dopant atoms is no longer regarded as continuous. This prohibits integration, while it is impossible to control such dopant positions within atomic scale. A fundamental solution is to create electronics with simple but atomically precise structures, which could be fabricated with recent atom manipulation technology. All the constituent atoms are placed as planned, and then the device characteristics are deviation-free, which is mandatory for integration. Atomic chain electronics belongs to this category. Foreign atom chains or arrays form devices, and they are placed on the atomically flat substrate surface. We can design the band structure and the resultant Fermi energy of these structures by manipulating the lattice constant. Using the tight-binding theory with universal parameters, it has been predicted that isolated Si chains and arrays are metallic, Mg chains are insulating, and Mg arrays have metallic and insulating phases [1]. The transport properties along a metallic chain have been studied, emphasizing the role of the contact to electrodes [2]. For electronic applications, it is essential to establish a method to dope a semiconducting chain, which is to control the Fermi energy position without altering the original band structure. If we replace some of the chain atoms with dopant atoms randomly, the electrons will see random potential along die chain and will be localized strongly in space (Anderson localization). However, if we replace periodically, although the electrons can spread over the chain, there will generally appear new bands and band gaps reflecting the new periodicity of dopant atoms. This will change the original band structure significantly. In order to overcome
Successive change regularity of actinide properties with atomic number
International Nuclear Information System (INIS)
The development and achievements on chemistry of actinide elements are summarised. The relations of properties of actinides to their electronic configurations of valence electronic shells are discussed. Some anomalies of solid properties, the radius contraction, the stable state effect of f7n-orbits (n = 0, 1, 2) and the tetrad effect of oxidation states, etc., with atomic number (Z) are described. 31 figures appended show directly the successive change regularity of actinide properties with Z
Effective atomic number of dental smalt
International Nuclear Information System (INIS)
The effective atomic numbers Z are enough utilized for to characterize the interactions of ionizing radiation with matter. Particularly for the Z calculation in biological tissues and/or composed materials we need to know the relationship between the cross sections of the diverse radiations interactions with mattera and the atomic numbers Z of the constituent elements in the tissue or composed material. Normally the cross section by atom σ 2 is proportional to Zm. The m value depends of the iterative process type and the energy of the incident photons. In the case of the photoelectric interaction, the m vary will vary between 4,698 and 4,799 for energies between 10 to 200 keV. It was verified that constituent elements with high Z (>20) they had a major contribution. The m values for the Compton interation and the coherent scattering were calculated of similar way. Knowing the m values, we calculate the partials Z of a composed material. For the calculation of total Z, we can use alternatives starting from the equivalent atomic number corresponding to the total cross section σ d tot, mc of the composed material. In this work for the calculation of Z values corresponding to diverse interations, we applied a linear regression at the values of Ln σ a x LnZ for different energies. In general, to characterize a simulator material of a tissue or composed material we need to know the total Z in function of the photon energy applied to dental smalt increases until some hundreds of keV the partial values of Z owing to photoelectric effect and the coherent scattering this is owing to the smalt has a great concentration of elements with high Z. (Author)
Atomic structure and electron correlations
International Nuclear Information System (INIS)
Synchrotron experiments combined with theoretical calculations have already given much information on atomic structure and the effects of electron correlations, and this combination of theory and experiment is expected to yield much new information in coming years. In the calculations of photoabsorption cross sections, it is almost always necessary to include electron correlations in both initial and final states to obtain good agreement with experiment. The main theoretical approaches which include effects of electron correlations have been R-matrix theory, random phase approximation with exchange (RPAE), relativistic random phase approximation with exchange, and many-body perturbation theory
International Nuclear Information System (INIS)
Effective atomic numbers (Zeff) of 107 different materials of dosimetric interest have been calculated for total electron interactions in the wide energy region 10 keV–1 GeV. The stopping cross sections of elements and dosimetric materials were used to calculate Zeff of the materials. Differences (%) in Zeff relative to water have been calculated in the entire energy region to evaluate the water equivalency of the used materials. Moreover, the tissue equivalent materials have been compared with the tissues and dosimetric materials in terms of Zeff to reveal their ability to use as tissue substitutes. Possible conclusions were drawn based on the variation of Zeff through the entire energy region and water and tissue equivalency comparisons in terms of Zeff. - Highlights: • Effective atomic number for total electron interaction. • Water and tissue equivalences of dosimetric materials
Photonic, Electronic and Atomic Collisions
Fainstein, Pablo D.; Lima, Marco Aurelio P.; Miraglia, Jorge E.; Montenegro, Eduardo C.; Rivarola, Roberto D.
2006-11-01
Plenary. Electron collisions - past, present and future / J. W. McConkey. Collisions of slow highly charged ions with surfaces / J. Burgdörfer ... [et al.]. Atomic collisions studied with "reaction-microscopes" / R. Moshammer ... [et al.]. Rydberg atoms: a microscale laboratory for studying electron-molecule tnteractions / F. B. Dunning -- Collisions involvintg photons. Quantum control of photochemical reaction dynamics and molecular functions / M. Yamaki ... [et al.]. Manipulating and viewing Rydberg wavepackets / R. R. Jones. Angle-resolved photoelectrons as a probe of strong-field interactions / M. Vrakking. Ultracold Rydberg atoms in a structured environment / I. C. H. Liu and J. M. Rost. Synchrotron-radiation-based recoil ion momentum spectroscopy of laser cooled and trapped cesium atoms / L. H. Coutinho. Reconstruction of attosecond pulse trains / Y. Mairesse ... [et al.]. Selective excitation of metastable atomic states by Femto- and attosecond laser pulses / A. D. Kondorskiy. Accurate calculations of triple differential cross sections for double photoionization of the hygrogen molecule / W. Vanroose ... [et al.]. Double and triple photoionization of Li and Be / J. Colgan, M. S. Pindzola and F. Robicheaux. Few/many body dynamics in strong laser fields / J. Zanghellini and T. Brabec. Rescattering-induced effects in electron-atom scattering in the presence of a circularly polarized laser field / A. V. Flegel ... [et al.]. Multidimensional photoelectron spectroscopy / P. Lablanquie ... [et al.]. Few photon and strongly driven transitions in the XUV and beyond / P. Lambropoulos, L. A. A. Nikolopoulos and S. I. Themelis. Ionization dynamics of atomic clusters in intense laser pulses / U. Saalmann and J. M. Rost. On the second order autocorrelation of an XUV attosecond pulse train / E. P. Benis ... [et al.]. Evidence for rescattering in molecular dissociation / I. D. Williams ... [et al.]. Photoionizing ions using synchrotron radiation / R. Phaneuf. Photo double
Atom Probe Tomography of Nanoscale Electronic Materials
Energy Technology Data Exchange (ETDEWEB)
Larson, David J.; Prosa, Ty J.; Perea, Daniel E.; Inoue, Hidekazu; Mangelinck, D.
2016-01-01
Atom probe tomography (APT) is a mass spectrometry based on time-of-flight measurements which also concurrently produces 3D spatial information. The reader is referred to any of the other papers in this volume or to the following references for further information 4–8. The current capabilities of APT, such as detecting a low number of dopant atoms in nanoscale devices or segregation at a nanoparticle interface, make this technique an important component in the nanoscale metrology toolbox. In this manuscript, we review some of the applications of APT to nanoscale electronic materials, including transistors and finFETs, silicide contact microstructures, nanowires, and nanoparticles.
Energy Technology Data Exchange (ETDEWEB)
Tognoni, E. [Istituto per i Processi Chimico-Fisici, Area della Ricerca del Consiglio Nazionale delle Ricerche Via Moruzzi 1, 56124 Pisa (Italy)], E-mail: tognoni@ipcf.cnr.it; Hidalgo, M.; Canals, A. [Departamento de Quimica Analitica, Nutricion y Bromatologia. Universidad de Alicante. Apdo. 99, 03080, Alicante (Spain); Cristoforetti, G.; Legnaioli, S.; Salvetti, A.; Palleschi, V. [Istituto per i Processi Chimico-Fisici, Area della Ricerca del Consiglio Nazionale delle Ricerche Via Moruzzi 1, 56124 Pisa (Italy)
2007-05-15
In Inductively Coupled Plasma-Atomic Emission Spectroscopy (ICP-AES) spectrochemical analysis, the MgII(280.270 nm)/MgI(285.213 nm) ionic to atomic line intensity ratio is commonly used as a monitor of the robustness of operating conditions. This approach is based on the univocal relationship existing between intensity ratio and plasma temperature, for a pure argon atmospheric ICP in thermodynamic equilibrium. In a multi-elemental plasma in the lower temperature range, the measurement of the intensity ratio may not be sufficient to characterize temperature and electron density. In such a range, the correct relationship between intensity ratio and plasma temperature can be calculated only when the complete plasma composition is known. We propose the combination of the line intensity ratios of two test elements (double ratio) as an effective diagnostic tool for a multi-elemental low temperature LTE plasma of unknown composition. In particular, the variation of the double ratio allows us discriminating changes in the plasma temperature from changes in the electron density. Thus, the effects on plasma excitation and ionization possibly caused by introduction of different samples and matrices in non-robust conditions can be more accurately interpreted. The method is illustrated by the measurement of plasma temperature and electron density in a specific analytic case.
International Nuclear Information System (INIS)
In Inductively Coupled Plasma-Atomic Emission Spectroscopy (ICP-AES) spectrochemical analysis, the MgII(280.270 nm)/MgI(285.213 nm) ionic to atomic line intensity ratio is commonly used as a monitor of the robustness of operating conditions. This approach is based on the univocal relationship existing between intensity ratio and plasma temperature, for a pure argon atmospheric ICP in thermodynamic equilibrium. In a multi-elemental plasma in the lower temperature range, the measurement of the intensity ratio may not be sufficient to characterize temperature and electron density. In such a range, the correct relationship between intensity ratio and plasma temperature can be calculated only when the complete plasma composition is known. We propose the combination of the line intensity ratios of two test elements (double ratio) as an effective diagnostic tool for a multi-elemental low temperature LTE plasma of unknown composition. In particular, the variation of the double ratio allows us discriminating changes in the plasma temperature from changes in the electron density. Thus, the effects on plasma excitation and ionization possibly caused by introduction of different samples and matrices in non-robust conditions can be more accurately interpreted. The method is illustrated by the measurement of plasma temperature and electron density in a specific analytic case
Atomic Ionization by Electron Impact
Institute of Scientific and Technical Information of China (English)
无
2000-01-01
The field of atomic ionization by electron impact is several decades old. In that period of time, significant progress has been made in several aspects of the problem and we have learned a lot about ionizing collisions as a result of this work. Over the years, both the experiments and theories have improved dramatically. Experiments are now able to measure absolute triple differential cross sections for both in-plane or out-of-plane geometries. Theories have been getting better and better at including all the 3-body interactions in the wavefunction for the system. However, during the history of the field, experiment has been ahead of theory and it is just very recently that theory has started to catch up. In this paper, we will show that theory is now able to accurately predict the results of electron impact ionization of hydrogen for intermediate and higher energies.
Quantum electronics for atomic physics and telecommunication
Nagourney, Warren G
2014-01-01
Nagourney provides a course in quantum electronics for researchers in atomic physics and other related areas (including telecommunications). The book covers the usual topics, such as Gaussian beams, optical cavities, lasers, non-linear optics, modulation techniques and fibre optics, but also includes a number of areas not usually found in a textbook on quantum electronics, such as the enhancement of non-linear processes in a build-up cavity or periodically poled waveguide, impedance matching into a cavity and astigmatism in ring cavities.
International Nuclear Information System (INIS)
Highlights: ► Gamma-ray interaction parameters of some low Z compounds have been measured at 59.54 keV. ► Values of effective atomic numbers (Zeff) have been obtained using an alternative approach based upon interpolation method. ► Composite materials investigated behave as incoherent scatters. ► Selected compounds can be represented by single (valued) mean atomic number 〈Z〉 at incident photon energy. ► Data presented is expected to be useful in medical based applications of nuclear radiation. - Abstract: Total mass attenuation coefficient, total photon interaction cross-section, effective atomic numbers (Zeff) and electron densities (Ne) of Aniline (C6H5NH2), Cyclohexane (C6H12), Glycerine (C3H5(OH)3), Butyl alcohol N-(C4H9OH), DMSO – dimethyl sulfoxide (C2H6OS), Methyl ethyl-ketone (C4H8O), Xylene (C8H10), Acetophenone (C8H8O) and Triethyl amine (C6H15N) have been measured at 59.54 keV energy photon emitted by 100 mCi 241Am point source employing narrow beam transmission geometry. Obtained results have been compared with theoretically calculated values of XCOM (Berger and Hubbel, 1987) and FFAST (). Mixture rule was employed to calculated theoretical mass attenuation coefficient values for each sample. Good agreement has been observed between experimental and theoretical values within experimental uncertainties.
International Nuclear Information System (INIS)
Highlights: • Radiation shielding calculations for concretes and glass systems. • Assigning effective atomic number for the given materials for total electron interaction. • Glass systems generally have better shielding ability than concretes. - Abstract: Concrete has been widely used as a radiation shielding material due to its extremely low cost. On the other hand, glass systems, which make everything inside visible to observers, are considered as promising shielding materials as well. In the present work, the effective atomic numbers, Zeff of some concretes and glass systems (industrial waste containing glass, Pb base glass and non-Pb base glass) have been calculated for total electron interaction in the energy region of 10 keV–1 GeV. Also, the continuous slowing down approximation (CSDA) ranges for the given materials have been calculated in the wide energy region to show the shielding effectiveness of the given materials. The glass systems are not only compared to different types of concretes but also compared to the lead base glass systems in terms of shielding. Moreover, the obtained results for total electron interaction have been compared to the results for total photon interaction wherever possible. In general, it has been observed that the glass systems have superior properties than most of the concretes over the high-energy region with respect to the electron interaction. Also, glass systems without lead show better electron stopping than lead base glasses at some energy regions as well. Along with the photon attenuation capability, it is seen that Fly Ash base glass systems have not only greater electron stopping capability but also have greater photon attenuation especially in high energy region when compared with standard shielding concretes
Many-electron tunneling in atoms
Zon, B A
1999-01-01
A theoretical derivation is given for the formula describing N-electron ionization of atom by a dc field and laser radiation in tunneling regime. Numerical examples are presented for noble gases atoms.
Electrons and atoms in intense laser fields
International Nuclear Information System (INIS)
Several non-linear effects that show up when electrons and atoms interact with strong laser fields are considered. Thomson scattering, electron potential scattering in the presence of a laser beam, atomic ionization by strong laser fields, the refraction of electrons by laser beams and the Kapitza-Dirac effect are discussed. (Author)
Electron-Atom Collisions in Gases
Kraftmakher, Yaakov
2013-01-01
Electron-atom collisions in gases are an aspect of atomic physics. Three experiments in this field employing a thyratron are described: (i) the Ramsauer-Townsend effect, (ii) the excitation and ionization potentials of xenon and (iii) the ion-electron recombination after interrupting the electric discharge.
Electronic structure interpolation via atomic orbitals
Chen, Mohan; Guo, G-C; HE, LIXIN
2010-01-01
We present an efficient scheme for accurate electronic structure interpolations based on the systematically improvable optimized atomic orbitals. The atomic orbitals are generated by minimizing the spillage value between the atomic basis calculations and the converged plane wave basis calculations on some coarse $k$-point grid. They are then used to calculate the band structure of the full Brillouin zone using the linear combination of atomic orbitals (LCAO) algorithms. We find that usually 1...
Electron correlation dynamics in atomic collisions
International Nuclear Information System (INIS)
This graduate/research level text introduces the theory of multi-electron transitions in atomic, molecular and optical physics, emphasizing the emerging topic of dynamic electron correlation. The book begins with an overview of simple binomial probabilities, classical scattering theory, quantum scattering and correlation, followed by the theory of single electron transition probabilities. Multiple electron transition probabilities are then treated in detail. Various approaches to multiple electron transitions are covered including the independent electron approximation, useful statistical methods and perturbation expansions treating correlation in both weak and strong limits. The important topic of the dynamics of electron correlation is a central theme in this book. The text contains a comprehensive summary of data for few and many electron transitions in atoms and molecules, including transitions on different atomic centers, fast ion-atom and electron-atom interactions, and recent observations using synchrotron radiation. Emphasis is given to methods that may be used by non-specialists. This text provides a pedagogic introduction to graduate students and researchers new to this developing field, but will also serve as a valuable reference for atomic, chemical and optical scientists interested in correlation and multi-electron transitions. (author)
Analysis of the atom-number correlation function in a few-atom trap
Choi, Youngwoon; Yoon, Seokchan; Kang, Sungsam; Kim, Woongnae; Lee, Jai-Hyung; An, Kyungwon
2006-01-01
Stochastic properties of loading and loss mechanism in a few atom trap are analyzed. An approximate formula is derived for the atom-number correlation function for the trapped atoms in the limit of reasonably small two-atom loss rate. Validity of the approximate formula is confirmed by numerical simulations.
Kurudirek, Murat
2013-02-01
A previously proposed procedure has been applied to some water equivalent phantoms namely PMMA, Polystyrene, Solid Water (WT1), RW3 and ABS for the first time to compute effective photon energy (Eeff), effective atomic numbers (Zeff) and electron densities (neeff) for different MV X-ray beams and Co-60 gamma beam which are heterogeneous in energy. For the purpose of the present investigation, effective atomic cross-sections of the given materials have been determined first to obtain effective photon energies which were further used for calculation of Zeff and neeff. Similar procedure was adopted for Co-60 γ-rays to check the validity of the present method. Results were found to be quite satisfactory. When it comes to the water equivalence, the Eeff results showed that the RW3 and ABS phantoms are more effective for 6 MV beam whereas RW3 and Polystyrene are more effective for 15 MV and Co-60 beams, respectively. The ABS and WT1 phantoms have better water equivalences than the others according to the Zeff and neeff results, respectively.
Interaction of Interpolating Number-Coherent States with Atomic Systems
Feng, Y; Solomon, A I; Feng, Yinqi; Fu, Hongchen
1999-01-01
Interpolating number-coherent states are new states of the radiation field which interpolate between number and coherent states, to which they reduce in appropriate limits. We study some fundamental features of the interaction of these new states with a atomic system in the framework of the Jaynes-Cummings model(JCM). The dynamical evolution of atomic population inversion, field entropy, the Q-function and photon number distribution properties are investigated in detail.
Housing Electrons: Relating Quantum Numbers, Energy Levels, and Electron Configurations.
Garofalo, Anthony
1997-01-01
Presents an activity that combines the concepts of quantum numbers and probability locations, energy levels, and electron configurations in a concrete, hands-on way. Uses model houses constructed out of foam board and colored beads to represent electrons. (JRH)
Electronic structure interpolation via atomic orbitals
Energy Technology Data Exchange (ETDEWEB)
Chen Mohan; Guo, G-C; He Lixin, E-mail: helx@ustc.edu.cn [Key Laboratory of Quantum Information, University of Science and Technology of China, Hefei, 230026 (China)
2011-08-17
We present an efficient scheme for accurate electronic structure interpolation based on systematically improvable optimized atomic orbitals. The atomic orbitals are generated by minimizing the spillage value between the atomic basis calculations and the converged plane wave basis calculations on some coarse k-point grid. They are then used to calculate the band structure of the full Brillouin zone using the linear combination of atomic orbitals algorithms. We find that usually 16-25 orbitals per atom can give an accuracy of about 10 meV compared to the full ab initio calculations, and the accuracy can be systematically improved by using more atomic orbitals. The scheme is easy to implement and robust, and works equally well for metallic systems and systems with complicated band structures. Furthermore, the atomic orbitals have much better transferability than Shirley's basis and Wannier functions, which is very useful for perturbation calculations.
Electronic excitation of Na atom by electron impact
International Nuclear Information System (INIS)
Electronic excitation of the 3s-3p transition in the Na atom was studied by intermediate energy electron impact spectroscopy. Differential Cross Sections (DCS) and Generalized Oscillator Strenghts (GOS) were determined experimentally for 1 KeV electrons. Theoretical results within the First Born Approximation as well as Glauber theory, were also performed. (A.C.A.S.)
Electron transport through monovalent atomic wires
DEFF Research Database (Denmark)
Lee, Y. J.; Brandbyge, Mads; Puska, M. J.;
2004-01-01
Using a first-principles density-functional method we model electron transport through linear chains of monovalent atoms between two bulk electrodes. For noble-metal chains the transport resembles that for free electrons over a potential barrier whereas for alkali-metal chains resonance states at...
Electron detachment in ion-atom collisions
International Nuclear Information System (INIS)
The electron detachment process that occurs in negative ion-atom collisions is investigated. Differential cross sections were measured for the collisions of F-, Cl-, Br-, I- on He, Ne, Ar, Kr, Xe, Na and K. Electron energy distributions were obtained for some of the systems. (Auth.)
Gaseous Electronics Tables, Atoms, and Molecules
Raju, Gorur Govinda
2011-01-01
With the constant emergence of new research and application possibilities, gaseous electronics is more important than ever in disciplines including engineering (electrical, power, mechanical, electronics, and environmental), physics, and electronics. The first resource of its kind, Gaseous Electronics: Tables, Atoms, and Molecules fulfills the author's vision of a stand-alone reference to condense 100 years of research on electron-neutral collision data into one easily searchable volume. It presents most--if not all--of the properly classified experimental results that scientists, researchers,
Natural occupation numbers in two-electron quantum rings.
Tognetti, Vincent; Loos, Pierre-François
2016-02-01
Natural orbitals (NOs) are central constituents for evaluating correlation energies through efficient approximations. Here, we report the closed-form expression of the NOs of two-electron quantum rings, which are prototypical finite-extension systems and new starting points for the development of exchange-correlation functionals in density functional theory. We also show that the natural occupation numbers for these two-electron paradigms are in general non-vanishing and follow the same power law decay as atomic and molecular two-electron systems. PMID:26851909
Natural occupation numbers in two-electron quantum rings
Energy Technology Data Exchange (ETDEWEB)
Tognetti, Vincent, E-mail: vincent.tognetti@univ-rouen.fr [Normandy Univ., COBRA UMR 6014 & FR 3038, Université de Rouen, INSA Rouen, CNRS, 1 rue Tesniére, 76821 Mont Saint Aignan, Cedex (France); Loos, Pierre-François [Research School of Chemistry, Australian National University, Canberra ACT 2601 (Australia)
2016-02-07
Natural orbitals (NOs) are central constituents for evaluating correlation energies through efficient approximations. Here, we report the closed-form expression of the NOs of two-electron quantum rings, which are prototypical finite-extension systems and new starting points for the development of exchange-correlation functionals in density functional theory. We also show that the natural occupation numbers for these two-electron paradigms are in general non-vanishing and follow the same power law decay as atomic and molecular two-electron systems.
Natural occupation numbers in two-electron quantum rings
International Nuclear Information System (INIS)
Natural orbitals (NOs) are central constituents for evaluating correlation energies through efficient approximations. Here, we report the closed-form expression of the NOs of two-electron quantum rings, which are prototypical finite-extension systems and new starting points for the development of exchange-correlation functionals in density functional theory. We also show that the natural occupation numbers for these two-electron paradigms are in general non-vanishing and follow the same power law decay as atomic and molecular two-electron systems
Electron affinities of atoms, molecules, and radicals
International Nuclear Information System (INIS)
We review briefly but comprehensively the theoretical, semiempirical and experimental methods employed to determine electron affinities (EAs) of atoms, molecules and radicals, and summarize the EA data obtained by these methods. The detailed processes underlying the principles of the experimental methods are discussed very briefly. It is, nonetheless, instructive to recapitulate the definition of EA and those of the related quantities, namely, the vertical detachment energy, VDE, and the vertical attachment energy, VAE. The EA of an atom is defined as the difference in total energy between the ground state of the neutral atom (plus the electron at rest at infinity) and its negative ion. The EA of a molecule is defined as the difference in energy between the neutral molecule plus an electron at rest at infinity and the molecular negative ion when both, the neutral molecules and the negative ion, are in their ground electronic, vibrational and rotational states. The VDE is defined as the minimum energy required to eject the electron from the negative ion (in its ground electronic and nuclear state) without changing the internuclear separation; since the vertical transition may leave the neutral molecule in an excited vibrational/rotational state, the VDE, although the same as the EA for atoms is, in general, different (larger than), from the EA for molecules. Similarly, the VAE is defined as the difference in energy between the neutral molecule in its ground electronic, vibrational and rotational states plus an electron at rest at infinity and the molecular negative ion formed by addition of an electron to the neutral molecule without allowing a change in the intermolecular separation of the constituent nuclei; it is a quantity appropriate to those cases where the lowest negative ion state lies above the ground states of the neutral species and is less or equal to EA
The Atomic Regular Polyhedron Electronic Shell
Directory of Open Access Journals (Sweden)
Zilong Kong
2013-10-01
Full Text Available The periodic table of elements is arranged based on a series of regular polyhedron. The stability of inert gas atoms can be explained by the distribution of electrons, as well as their motion and magnetic force structure. A magnetic force regular octahedron is proposed. It is a unique configuration that best satisfies the convergence of electrons moving in the same direction within regular polyhedra. In the case of an electrostatic force crust, the formal electron spin accounts for the crusts intrinsic magnetic moment exceeding the speed of light. If one is to consider that the electron has a magnetic outer layer and an electrostatic inner layer, then the question can be solved and abovementioned inference can provide the basis for magnetic force and momentum for the regular octahedron model. The electron periphery has twenty-petal adsorptive substances; the existence of adsorptive substance causes the magnetic force greater than the electrostatic force. Each electronic shell in the regular polyhedron is in accordance with the electron configuration of periodic table of elements; the kinetic track of each electron is a surface of regular polyhedron. The magnetic properties of iron, cobalt, and nickel can be explained by the regular dodecahedron electronic shell of an atom. The electron orbit converged from reverse direction can explain diamond. The adsorptive substances found in atomic nuclei and electrons are defined as magnetic particles called magnetons. The thermodynamic magneton theory can be better explained when it is analyzed using principles of thermodynamics, superconductivity, viscosity, and even in the creation of glass. The structure of the light is a helical line.
International Nuclear Information System (INIS)
The structural, electronic and magnetic properties of free standing Au-Pd bimetallic atomic chain is studied using ab-initio method. It is found that electronic and magnetic properties of chains depend on position of atoms and number of atoms. Spin polarization factor for different atomic configuration of atomic chain is calculated predicting a half metallic behavior. It suggests a total spin polarised transport in these chains
The electron-atom ionization problem
Energy Technology Data Exchange (ETDEWEB)
McCarthy, I.E.
1995-02-01
Methods of calculating electron-atom ionization as a three-body problem with Coulomb boundary conditions are considered. In the absence of a fully-valid computational method for a time-independent experiment the approximation is made that the incident electron experiences a screened potential. Approximations involving a final state that obeys the three-body Coulomb boundary condition are compared with the distorted-wave Born approximation and the convergent close-coupling method. 24 refs., 6 figs.
The electron-atom ionization problem
International Nuclear Information System (INIS)
Methods of calculating electron-atom ionization as a three-body problem with Coulomb boundary conditions are considered. In the absence of a fully-valid computational method for a time-independent experiment the approximation is made that the incident electron experiences a screened potential. Approximations involving a final state that obeys the three-body Coulomb boundary condition are compared with the distorted-wave Born approximation and the convergent close-coupling method. 24 refs., 6 figs
Calculations of electron screening in muonic atoms
International Nuclear Information System (INIS)
The electron screening in mounic atoms (O, Al, Fe, In, Ho, Au, Th) has been calculated for p3/2, d5/2 and f7/2 levels with nμ=3/2, d5/2 and f7/2 muons up to nμ=30. Screening corrections are also given for electron configurations with holes in the K and L3 shell. (orig.)
Simulated mixed absorbers and effective atomic numbers for attenuation
Indian Academy of Sciences (India)
K Karunakaran Nair; N Ramachandran; K K Abdullah; K M Varier
2006-09-01
The total -ray interaction crosss-sections on mixed absorbers were determined at 662 keV with a view to study the effective atomic numbers for -ray absorption under narrow beam good geometry set-up. The measurements were taken for the combination of metallic absorbers like aluminium, copper, lead and mercury and also for the simulated absorbers by rotating the targets. ORTEC HPGe and NaI(Tl) detectors were used for detection of -rays.The experimental results compare favourably with theoretical values derived from XCOM package and suggest the usefulness of the concept of effective atomic numbers and the utility of the rotating absorbers technique.
Relativistic calculations for many electron atoms
International Nuclear Information System (INIS)
Many improvements have now been introduced in ab-initio methods for relativistic atomic structure calculations. After a short description of the different methods, we review the various contributions to energy levels and compare the most recent theoretical and experimental results for few electron heavy ions
Properties of few-electron artificial atoms
Varga, K.; Navratil, P.; Usukura, J.; Suzuki, Y
2000-01-01
The spectra of quantum dots of different geometry (``quantum ring'', ``quantum cylinder'', ``spherical square-well'' and ``parabolic confinement'') are studied. The stochastic variational method on correlated Gaussian basis functions and a large scale shell-model approach have been used to investigate these ``artificial'' atoms and their properties in magnetic field. Accurate numerical results are presented for $N$=2-8 electron systems.
Electron-pair shell density approximation applied to inner and outer electron radii of atoms
International Nuclear Information System (INIS)
The shell density approximation to the electron-pair radial density of atoms is applied to the inner 〈r〉 and outer 〈r>〉 electron radii, which are two components of the familiar average electron radius 〈r〉. The inner and outer radii with two-electron nature are found to be expressed by simple weighted sums of single-electron shell radii, where the weight factors are related to the numbers of shell electrons. A numerical examination of the 53 atoms He through Xe shows that the average relative errors of the approximation are only 3.5% and 1.1% for the inner and outer electron radii, respectively. Lower and upper bounds to 〈r〉 and 〈r>〉 are discussed. The present results also bound the electron-pair relative distance and centre-of-mass radius in terms of the single-electron shell radii. (paper)
Low atomic number coating for XEUS silicon pore optics
DEFF Research Database (Denmark)
Lumb, D.H.; Cooper-Jensen, Carsten P.; Krumrey, M.; Cibik, L.; Christensen, Finn Erland; Collon, M.; Bavdaz, M.
2008-01-01
XEUS graze angles are presented. Reflectance is significantly enhanced for low energies when a low atomic number over-coating is applied. Modeling of the layer thicknesses and roughness is used to investigate the dependence on the layer thicknesses, metal and over coat material choices. We compare the...
Prospects of linear reconstruction in atomic resolution electron holographic tomography
International Nuclear Information System (INIS)
Tomography commonly requires a linear relation between the measured signal and the underlying specimen property; for Electron Holographic Tomography this is given by the Phase Grating Approximation (PGA). While largely valid at medium resolution, discrepancies arise at high resolution imaging conditions. We set out to investigate the artefacts that are produced if the reconstruction still assumes the PGA even with an atomic resolution tilt series. To forego experimental difficulties the holographic tilt series was simulated. The reconstructed electric potential clearly shows peaks at the positions of the atoms. These peaks have characterisitic deformations, which can be traced back to the defocus a particular atom has in the holograms of the tilt series. Exchanging an atom for one of a different atomic number results in a significant change in the reconstructed potential that is well contained within the atom's peak. - Highlights: • We simulate a holographic tilt series of a nanocrystal with atomic resolution. • Using PGA-based Holographic Tomography we reconstruct the atomic structure. • The reconstruction shows characteristic artefacts, chiefly caused by defocus. • Changing one atom's Z produces a well localised in the reconstruction
Prospects of linear reconstruction in atomic resolution electron holographic tomography
Energy Technology Data Exchange (ETDEWEB)
Krehl, Jonas, E-mail: Jonas.Krehl@triebenberg.de; Lubk, Axel
2015-03-15
Tomography commonly requires a linear relation between the measured signal and the underlying specimen property; for Electron Holographic Tomography this is given by the Phase Grating Approximation (PGA). While largely valid at medium resolution, discrepancies arise at high resolution imaging conditions. We set out to investigate the artefacts that are produced if the reconstruction still assumes the PGA even with an atomic resolution tilt series. To forego experimental difficulties the holographic tilt series was simulated. The reconstructed electric potential clearly shows peaks at the positions of the atoms. These peaks have characterisitic deformations, which can be traced back to the defocus a particular atom has in the holograms of the tilt series. Exchanging an atom for one of a different atomic number results in a significant change in the reconstructed potential that is well contained within the atom's peak. - Highlights: • We simulate a holographic tilt series of a nanocrystal with atomic resolution. • Using PGA-based Holographic Tomography we reconstruct the atomic structure. • The reconstruction shows characteristic artefacts, chiefly caused by defocus. • Changing one atom's Z produces a well localised in the reconstruction.
International Nuclear Information System (INIS)
In early work, Dawson and March [J. Chem. Phys. 81, 5850 (1984)] proposed a local energy method for treating both Hartree-Fock and correlated electron theory. Here, an exactly solvable model two-electron atom with pure harmonic interactions is treated in its ground state in the above context. A functional relation between the kinetic energy density t(r) at the origin r=0 and the electron density p(r) at the same point then emerges. The same approach is applied to the Hookean atom; in which the two electrons repel with Coulombic energy e2/r12, with r12 the interelectronic separation, but are still harmonically confined. Again the kinetic energy density t(r) is the focal point, but now generalization away from r=0 is also effected. Finally, brief comments are added about He-like atomic ions in the limit of large atomic number. (author)
The splitting of atomic orbitals with a common principal quantum number revisited: np vs. ns.
Katriel, Jacob
2012-04-14
Atomic orbitals with a common principal quantum number are degenerate, as in the hydrogen atom, in the absence of interelectronic repulsion. Due to the virial theorem, electrons in such orbitals experience equal nuclear attractions. Comparing states of several-electron atoms that differ by the occupation of orbitals with a common principal quantum number, such as 1s(2) 2s vs. 1s(2) 2p, we find that although the difference in energies, ΔE, is due to the interelectronic repulsion term in the Hamiltonian, the difference between the interelectronic repulsions, ΔC, makes a smaller contribution to ΔE than the corresponding difference between the nuclear attractions, ΔL. Analysis of spectroscopic data for atomic isoelectronic sequences allows an extensive investigation of these issues. In the low nuclear charge range of pertinent isoelectronic sequences, i.e., for neutral atoms and mildly positively charged ions, it is found that ΔC actually reverses its sign. About 96% of the nuclear attraction difference between the 6p (2)P and the 6s (2)S states of the Cs atom is cancelled by the corresponding interelectronic repulsion difference. From the monotonic increase of ΔE with Z it follows (via the Hellmann-Feynman theorem) that ΔL > 0. Upon increasing the nuclear charge along an atomic isoelectronic sequence with a single electron outside a closed shell from Z(c), the critical charge below which the outmost electron is not bound, to infinity, the ratio ΔC/ΔL increases monotonically from lim(Z→Z(c)(+))ΔC/ΔL=-1 to lim(Z→∞)ΔC/ΔL=1. These results should allow for a more nuanced discussion than is usually encountered of the crude electronic structure of many-electron atoms and the structure of the periodic table. PMID:22502506
Yoon, S; Park, S; Kim, J; Lee, J H; An, K; Yoon, Seokchan; Choi, Youngwoon; Park, Sangbum; Kim, Jaisoon; Lee, Jai-Hyung; An, Kyungwon
2006-01-01
A few 85Rb atoms were trapped in a micron-size magneto-optical trap with a high quadrupole magnetic-field gradient and the number of atoms was precisely controlled by suppressing stochastic loading and loss events via real-time feedback on the magnetic field gradient. The measured occupation probability of single atom was as high as 99%. Atoms up to five were also trapped with high occupation probabilities. The present technique could be used to make a deterministic atom source.
Electron and positron scattering from atoms
International Nuclear Information System (INIS)
Four distinct projects carried out are discussed. First, differential and integrated cross sections for the elastic scattering of low- and intermediate-energy (3-300 eV) positrons and electrons by argon atoms are calculated. Higher transport cross sections, representing moments of 1 - (cos theta)/sup n/, for these systems are also obtained for n = 1-4. Model potentials are used to represent the interactions between positrons or electrons and argon atoms. For each impact energy, the phase shifts of the lower partial waves are obtained exactly by numerical integration of the radial equation. Second, closed form expressions for the contributions of higher partial waves (2 ell > n-3) to the elastic scattering amplitude for various long range interactions, which fall off as r/sup -n/ as r → ∞, are obtained for n ranging from 3 to 8. Third, the differential and total cross sections for the formation of positronium in its ground state from Li and Na atoms by the impact of intermediate-energy positrons are calculated in the first Born and the distorted wave Born approximations. Finally, formation of positronium (Ps) in different states by the impact of intermediate energy (20-500 eV) positrons on atomic hydrogen are calculated using the first Born approximation (FBA) and the distorted-wave Born approximation
Gupta, Dhrubajyoti; Ghosh, Rita; Mitra, Ajoy K; Roy, Subinit; Sarkar, Manoranjan; Chowdhury, Subhajit; Bhowmik, Asit; Mukhopadhyay, Ujjal; Maskey, Shila; Ro, Chul-Un
2011-11-01
The long-term environmental impact of municipal solid waste (MSW) landfilling is still under investigation due to the lack of detailed characterization studies. A MSW landfill site, popularly known as Dhapa, in the eastern fringe of the metropolis of Kolkata, India, is the subject of present study. A vast area of Dhapa, adjoining the current core MSW dump site and evolving from the raw MSW dumping in the past, is presently used for the cultivation of vegetables. The inorganic chemical characteristics of the MSW-contaminated Dhapa surface soil (covering a 2-km stretch of the area) along with a natural composite (geogenic) soil sample (from a small countryside farm), for comparison, were investigated using two complementary nondestructive analytical techniques, energy-dispersive X-ray fluorescence (EDXRF) for bulk analysis and low-Z (atomic number) particle electron probe X-ray microanalysis (low-Z particle EPMA) for single-particle analysis. The bulk concentrations of K, Rb, and Zr remain almost unchanged in all the soil samples. The Dhapa soil is found to be polluted with heavy metals such as Cu, Zn, and Pb (highly elevated) and Ti, Cr, Mn, Fe, Ni, and Sr (moderately elevated), compared to the natural countryside soil. These high bulk concentration levels of heavy metals were compared with the Ecological Soil Screening Levels for these elements (U.S. Environment Protection Agency) to assess the potential risk on the immediate biotic environment. Low-Z particle EPMA results showed that the aluminosilicate-containing particles were the most abundant, followed by SiO2, CaCO3-containing, and carbonaceous particles in the Dhapa samples, whereas in the countryside sample only aluminosilicate-containing and SiO2 particles were observed. The mineral particles encountered in the countryside sample are solely of geogenic origin, whereas those from the Dhapa samples seem to have evolved from a mixture of raw dumped MSW, urban dust, and other contributing factors such as wind
Electron spectroscopy of collisional excited atoms
International Nuclear Information System (INIS)
In this thesis measurements are described in which coincidences are detected between scattered projectiles and emitted electrons. This yields information on two-electron excitation processes. In order to show what can be learnt from coincidence experiments a detailed theoretical analysis is given. The transition amplitudes, which contain all the information, are introduced (ch.2). In ch.3 the experimental set-up is shown. The results for the Li+-He system are shown in ch. 7 and are compared with predictions based on the Molecular-Orbitalmodel which however does not account for two-excitation mechanisms. With the transition amplitudes also the wave function of the excited atom has been completely determined. In ch.8 the shape of the electron cloud, induced by the collision, is derived from the amplitudes. The relation between the oscillatory motion of this cloud after the collision and the correlation between the two electrons of the excited atom is discussed. In ch. 6 it is shown that the broad structures in the non-coincident energy spectra of the Li+-He system are erroneously interpretated as a result of electron emission from the (Li-He)+-quasimolecule. A model is presented which explains, based on the results obtained from the coincidence measurements, these broad structures. In ch. 4 the Post-Collision Interaction process is treated. It is shown that for high-energy collisions, in contrast with general assumptions, PCI is important. In ch. 5 the importance of PCI-processes in photoionization of atoms, followed by Auger decay, are studied. From the formulas derived in ch. 4 simple analytical results are obtained. These are applied to recent experiments and good agreement is achieved. 140 refs.; 55 figs.; 9 tabs
Electron-electron correlation in highly charged atoms
International Nuclear Information System (INIS)
The relativistic random-phase approximation (RRPA) is introduced to account for electron-electron correlation in atoms and ions of high nuclear charge where non-relativistic many-body methods are inadequate. To provide a basis for this study of the RRPA, the Dirac-Fock (DF) theory is reviewed. Applications of the DF equations to determine inner-electron binding energies in heavy atoms are given illustrating the influence of relativistic effects in situations where correlations are unimportant. The RRPA equations are derived as natural generalizations of the DF equations. Examples of RRPA calculations of discrete excitations and of photoionization are given illustrating situations where both relativistic and correlation effects play important roles
Determination of atomic number and composition of human enamel
International Nuclear Information System (INIS)
The teeth are organs of complicated structure that consist, partly, of hard tissue containing in its interior the dental pulp, rich in vases and nerves. The main mass of the tooth is constituted by the dentine, which is covered with hard tissues and of epithelial origin called enamel. The dentine of the human teeth used in this work were completely removed and the teeth were cut with a device with a diamond disc. In this work the chemical composition of the human enamel was determined, which showed a high percentage of Ca and P, in agreement with the results found in the literature. The effective atomic number of the material and the half-value layer in the energy range of diagnostic X-ray beams were determined. Teeth could be used to evaluated the public's individual doses as well as for retrospective dosimetry what confirms the importance of their effective atomic number and composition determination. (author)
Thermoluminescence dosimetric properties and effective atomic numbers of window glass
International Nuclear Information System (INIS)
Highlights: • The TL properties of window glass were investigated. • The obtained results is potentially a good candidate for retrospective dosimetry. • The effective atomic number are close to human biological tissues. - Abstract: This work presents the main thermoluminescence (TL) dosimetric characteristics of commercial Thai transparent window glass. The amorphous structure of window glass was investigated by XRD. The glow curve revealed a peak (Tm) at 235 °C. The thermoluminescence response of window glass was studied after irradiation with photons in the absorb dose range of 0–14.05 mGy, which is of interest for the personal protection level of dosimetry. A linear response was obtained after both the first irradiation and the second irradiation. The minimum detectable dose of window glass was 0.15 mGy. The effective atomic number of window glass as a function of photon energy was calculated. The obtained results for the effective atomic number showed that it is very close to that of human biological tissues (Zeff = 6.7–8.4 at studied energy)
Effects of atomic electrons on nuclear stability and radioactive decay
International Nuclear Information System (INIS)
Despite the energy-space-time scale of nuclear processes considerably differs from that of atomic ones, a lot of experimental evidences for a strong effect of atomic electrons on nuclear processes is documented. In the present paper we analyze how the change of atomic electronic states may influence the rate of nuclear decay and the condition of nuclear stability, and how it may redistribute the channels of nuclear decay. The changes of atomic electronic states may be caused by application of a strong magnetic field. It is known that under full ionization of the atom the bound-state β-decay (i.e. when β-electron does not escape from the atom and occupies the bound atomic state) appears to be energetically preferable in contrast to the case of β-decay of the neutral atom. Our analysis of the database of nuclear masses gives the following conclusion: a number of nuclei are found, which are stable in the neutral atom and should be unstable with respect to bound-state β-decay if the nucleus is bare (i.e. under full ionization of the atom): 163Dy, 193Ir, 205Tl. Under high degree of atom's ionization, the β-stability threshold moves towards larger values of Z, i.e. towards decreasing the neutron/proton ratio in the nucleus. We show that the clearance of electron atomic states in a certain number of atoms whose nucleus emits the delayed neutron may increase the fraction of delayed neutrons. It is also shown, that while considering the nuclear processes - both known and novel ones - which proceed with participation of weak interactions, one has to take into account the mass of electron in spite of its smallness in comparison with the nuclear binding energy. Within the frame of the respectively enhanced accuracy, it is shown that the necessary and sufficient condition of nuclear stability with respect to β-decay and K-capture appears to be the minimum of the mass defect on isobars, that not always coincides with the widespread condition of the minimum of nuclear mass
Correlation effects in electron-atom collisions
International Nuclear Information System (INIS)
This thesis deals with correlation effects occurring in the outer region of configuration space after an ionising collision. The motion of both escaping electrons in the external region is then fully determined by the long-range Coulomb forces. Firstly the threshold ionisation of hydrogen-like targets is studied. In that case two slow electrons attempt to escape from the Coulomb attraction of the residual ion. Secondly ionising collisions, with the formation of an autoionising state as an intermediate step, are considered. Such an autoionising state is in fact a quasi bound state of the neutral atom which lies imbedded in the ionisation continuum. The state decays after a certain lifetime by emission of an electron. Of all states to be formed in the reaction region only the autoionising state(s) under consideration is then relevant for this type of ionisation process. The energy positions of autoionising states usually are such that the electron to be ionised is ejected with a rather large velocity. The correlation in the outer region of configuration space then consists of the interaction of a fast ejected electron and, in case of threshold excitation of the autoionising state, a slow scattered electron. (Auth.)
Atom Diffraction Reveals the Impact of Atomic Core Electrons on Atom-Surface Potentials
International Nuclear Information System (INIS)
We measured ratios of van der Waals potential coefficients (C3) for different atoms (Li, Na, K, and Rb) interacting with the same surface by studying atom diffraction from a nanograting. These measurements are a sensitive test of atomic structure calculations because C3 ratios are strongly influenced by core electrons and only weakly influenced by the permittivity and geometry of the surface. Our measurement uncertainty of 2% in the ratio C3K/C3Na is close to the uncertainty of the best theoretical predictions, and some of these predictions are inconsistent with our measurement.
METHODS OF CALCULATING THE ELECTRONIC AND ATOMIC STRUCTURES OF INTERFACES
Sutton, A
1985-01-01
Methods of calculating the electronic and atomic structures of interfaces are described. An introduction to pseudopotentials and LCAO methods is given. Methods of calculating the electronic structure of an interface with a given atomic structure are considered. The feasibility of total energy calculations, in which the atomic and electronic structures are calculated simultaneously, is discussed.
Electron transfer, ionization, and excitation atomic collisions
International Nuclear Information System (INIS)
Basic atomic-collision processes at intermediate and high energies are being studied theoretically at Penn State by Alston and Winter. In the high velocity regime, single-electron capture is treated using a high order multiple-scattering approach; extensive comparison with experiment and analysis of mechanisms have been made. Fitting the calculated amplitude with a simple analytic form, the asymptotic velocity dependence of the cross section is obtained. The effect on the capture amplitude of altering the inner part of the internuclear potential has also been explored. In the intermediate velocity regime, earlier work on collisions between protons and hydrogenic-ion targets using a coupled-state approach is being extended to the two-electron helium target. 29 refs
Electron spectra in the ionization of atoms by neutrinos
International Nuclear Information System (INIS)
For neutrinos of O(10 keV) energies, their oscillation lengths are less than a few hundred meters, thereby suggesting the fascinating idea of oscillation experiments of small geometrical size. To help in evaluating this idea, a formalism is developed for calculating the neutrino ionization cross sections for H as well as the noble atoms. This formalism is based on the use of spin-independent atomic wave functions and should very accurately describe the ionization spectra for H, He, Ne, and Ar. The accuracy is considerably reduced for the Xe case though, where the spin dependence in the wave functions is non-negligible. Nevertheless, even for Xe the results remain qualitatively correct. In all cases, the atomic ionizations cross section per electron is found to be smaller than the neutrino cross section off free electrons, approaching it from below as the energy increases to the 100 keV region. At the 10-20 keV range though, the atomic binding effects in the cross sections and the spectra are very important and increasing with the atomic number. They are canceling out though, when total ionization cross section ratios, like νμ/νe or νμ/νe, are considered
Correlation effects in a two-electron atom
International Nuclear Information System (INIS)
A new approach is given to the problem of a two-electron atom in the non-relativistic limit. Atomic 'quasi-particles', which are 'freer' than single electrons, are described by the substitution of variables which makes it possible to use perturbation theory. A high-energy absorption spectrum with the resulting emission and decay of a two-electron atom has been predicted. Generalisation of this method to the case of multielectron atoms is discussed. (author)
Atomic effects of electrons and protons at low energies
International Nuclear Information System (INIS)
Some aspects of electronic and atomic collisions are discussed. Impact ionization by electrons and protons, and electron bremsstrahlung processes are considered in some detail. Emphasis is also given to (uncorrelated and correlated) many-electron processes, which are of particular importance in collisions of highly-charged ions with atoms. 84 refs., 15 figs
Simulik, V M; Tymchyk, R V
2016-01-01
The beginning of the application of the method of interacting configurations in the complex number representation to the compound atomic systems has been presented. The spectroscopic characteristics of the Be atom in the problem of the electron-impact ionization of this atom are investigated. The energies and the widths of the lowest autoionizing states of Be atom are calculated.
Electronic properties of incommensurate atomic layers
International Nuclear Information System (INIS)
We present a brief theoretical overview of electronic properties of incommensurate multilayer systems, i.e., a pair of two-dimensional atomic layers stacked in an arbitrary orientation. We introduce the general theoretical scheme to describe the interlayer interaction between incommensurate crystal structures, and apply the formula to two specific examples, the twisted bilayer graphene and graphene–hBN composite bilayer. In each case, we calculate the electronic band structure and demonstrate that the low-energy electronic properties are significantly modified by the interlayer interaction, particularly when the two lattice structures are close to each other. We also study the energy spectrum and the quantum Hall effect in magnetic fields, where we see that the spectral structure exhibits a fractal nature, as known as the Hofstadter butterfly. We argue about the optical absorption properties of the twisted bilayer graphene and show that the interlayer interaction gives rise to the characteristic spectroscopic features in zero magnetic field and also in strong magnetic field. (author)
Convergent Close-Coupling Approach to Electron-Atom Collisions
Bray, Igor; Stelbovics, Andris
2007-01-01
It was with great pleasure and honour to accept the invitation to make a presentation at the symposium celebrating the life-long work of Aaron Temkin and Richard Drachman. The work of Aaron Temkin was particularly influential on our own during the development of the CCC method for electron-atom collisions. There are a number of key problems that need to be dealt with when developing a general computational approach to such collisions. Traditionally, the electron energy range was subdivided into the low, intermediate, and high energies. At the low energies only a finite number of channels are open and variational or close-coupling techniques could be used to obtain accurate results. At high energies an infinite number of discrete channels and the target continuum are open, but perturbative techniques are able to yield accurate results. However, at the intermediate energies perturbative techniques fail and computational approaches need to be found for treating the infinite number of open channels. In addition, there are also problems associated with the identical nature of electrons and the difficulty of implementing the boundary conditions for ionization processes. The beauty of the Temkin-Poet model of electron-hydrogen scattering is that it simplifies the full computational problem by neglecting any non-zero orbital angular momenta in the partial-wave expansion, without loosing the complexity associated with the above-mentioned problems. The unique nature of the problem allowed for accurate solution leading to benchmark results which could then be used to test the much more general approaches to electron-atom collision problems. The immense value of the Temkin-Poet model is readily summarised by the fact that the initial papers of Temkin and Poet have been collectively cited around 250 times to date and are still being cited in present times. Many of the citations came from our own work during the course of the development of the CCC method, which we now describe.
Three L-subshells atomic model to compute counting efficiency of electron-capture nuclides
International Nuclear Information System (INIS)
The present paper develops a three L-subshell a and K, M-a hells atomic model in order to obtain the counting efficiency in liquid scintillation counting. Mathematical expressions are given to calculate the probabilities of 264 different atomic rearrangement way so as the corresponding effective energies. This new model will permit to test the influence of the different atomic and nuclear parameters upon the counting efficiency nuclides of low and medium atomic number decaying by electron capture. (Author) 8 refs
The effective atomic number for gamma ray interactions with heavy metal oxide glasses
DEFF Research Database (Denmark)
Manohara, S. R.; Hanagodimath, S.M.; Gerward, Leif
2010-01-01
The effective atomic number, Z(eff), and the effective electron density, N-el,N-eff, have been calculated at photon energies from 1 keV to 100 GeV for CaO-SrO-B2O3, ZnO-PbO-B2O3, and CdO-PbO-B2O3 glasses with potential applications as gamma ray shielding materials. Appreciable variations are note...
Atomic resolution cryo electron microscopy of macromolecular complexes.
Zhou, Z Hong
2011-01-01
Single-particle cryo electron microscopy (cryoEM) is a technique for determining three-dimensional (3D) structures from projection images of molecular complexes preserved in their "native," noncrystalline state. Recently, atomic or near-atomic resolution structures of several viruses and protein assemblies have been determined by single-particle cryoEM, allowing ab initio atomic model building by following the amino acid side chains or nucleic acid bases identifiable in their cryoEM density maps. In particular, these cryoEM structures have revealed extended arms contributing to molecular interactions that are otherwise not resolved by the conventional structural method of X-ray crystallography at similar resolutions. High-resolution cryoEM requires careful consideration of a number of factors, including proper sample preparation to ensure structural homogeneity, optimal configuration of electron imaging conditions to record high-resolution cryoEM images, accurate determination of image parameters to correct image distortions, efficient refinement and computation to reconstruct a 3D density map, and finally appropriate choice of modeling tools to construct atomic models for functional interpretation. This progress illustrates the power of cryoEM and ushers it into the arsenal of structural biology, alongside conventional techniques of X-ray crystallography and NMR, as a major tool (and sometimes the preferred one) for the studies of molecular interactions in supramolecular assemblies or machines. PMID:21501817
Electron--photon coincidence technique for electron impact on atoms
International Nuclear Information System (INIS)
A brief introduction is given to the general theory of the electron photon coincidence technique, and the specific application to 1P and 3P excitations in helium is described. The relation between the complex excitation amplitudes which characterize the collision process and the alignment and orientation of the excited atoms is emphasized. The data from the first electron photon angular correlation measurements are presented. These data yield values for the ratio of differential cross sections for exciting the degenerate sublevels and the relative phase of the corresponding amplitudes, or, equivalently, the alignment and orientation parameters. The results are obtained in dimensionless form and are free from absolute calibration or normalization difficulties. They are compared with various theoretical approximations. The application of the coincidence technique to a measurement of threshold polarization is described and results for 31P excitations are discussed
Comparison of effective atomic numbers of the cancerous and normal kidney tissue
International Nuclear Information System (INIS)
The effective atomic number (Zeff) and electron density (Ne) of normal kidney and cancerous kidney have been computed for total and partial photon interactions by computing the molecular, atomic, and electronic cross section in the wide energy range of 1 keV-100 GeV using WinXCOM. The mean Zeff and Ne of normal kidney and cancerous kidney in the various energy ranges and for total and partial photon interactions are tabulated. The variation of effective Ne with energy is shown graphically for all photon interactions. In addition to this computer tomography (CT), numbers of normal kidney and cancerous kidney for photon interaction and energy absorption is also computed. The role of Zeff in the dual-energy dividing radiography is also discussed. The values of Zeff and Ne for cancerous kidney are higher than normal kidney. This is due to the levels of elements K, Ca, Fe, Ni, and Se are lower and those of the elements Ti, Co, Zn, As, and Cd are higher in the cancer tissue of kidney than those observed in the normal tissue. The soft tissue and cancerous tissue are very similar, but their atomic number differs. The cancerous tissue exhibits a higher Zeff than the normal tissue. This fact helps in the dual-energy dividing radiography which enables to improve the diagnosis of the kidney cancer. Hence, the computed values may be useful in the diagnosis of the kidney cancer. CT numbers for normal kidney are higher than cancerous kidney. (author)
Quantum electrodynamics of high-Z few-electron atoms
International Nuclear Information System (INIS)
A relatively new area in the field of Atomic Physics and Quantum Electrodynamics (QED) is the precise theoretical and experimental study of high-Z few-electron atoms. Comparison of theory and experiment for the transition rates and energy splittings of these systems provides a fundamental test of the theory of strongly bound electrons. This reviews the quantum electrodynamics of high-Z few-electron atoms based on perturbation theory in the Furry bound interaction picture. A complete overview of the theory is given, from the basic equations to the numerical results for the energy splittings, with attention focused on the Lamb shift in two-electron atoms as an example
Theory of many-electron atoms. Selected papers
International Nuclear Information System (INIS)
Selected papers of the founder of contemporary theoretical physics in Lithuania Adolfas Jucys on the theory of many-electron atoms and their spectra are presented, as well as a complete bibliography of his scientific works, a brief biographical essay and description of his scientific and social activities, reminiscences of other scientists about him. In these papers such questions are considered: Fock's self-consistent field in different approximations, various problems of the many-configurational approximation, incomplete separation of variables, expanded calculation method, application of nonorthogonal radial orbitals, method of irreducible tensor operators, graphical representation of the matrix elements and a number of other problems
Study of the mass attenuation coefficients and effective atomic numbers in some gemstones
International Nuclear Information System (INIS)
The total mass attenuation coefficients for natural beryl, corundum, garnet, pearl, and tourmaline gemstones were measured at 81, 356.5, 661.6, 1173.2, and 1332.5 keV photon energies. The samples were irradiated with 133Ba, 137Cs and 60Co radioactive point sources using gamma ray transmission method. Total atomic and electronic cross-sections, effective atomic numbers and electron densities were determined experimentally and theoretically. The experimental values were compared with the calculated values for all samples. The calculations were extended for total photon interactions in a wide energy range (1 keV-100 GeV) using WinXCom program of the most commonly irradiated gemstones with different sources of ionized radiation. The values of these parameters have been found to vary with photon energy and chemical composition of the gemstones. All variations of these parameters against energy are shown graphically for total photon interactions. (author)
Electronic transport properties of copper and gold at atomic scale
Energy Technology Data Exchange (ETDEWEB)
Mohammadzadeh, Saeideh
2010-11-23
The factors governing electronic transport properties of copper and gold atomic-size contacts are theoretically examined in the present work. A two-terminal conductor using crystalline electrodes is adopted. The non-equilibrium Green's function combined with the density functional tight-binding method is employed via gDFTB simulation tool to calculate the transport at both equilibrium and non-equilibrium conditions. The crystalline orientation, length, and arrangement of electrodes have very weak influence on the electronic characteristics of the considered atomic wires. The wire width is found to be the most effective geometric aspect determining the number of conduction channels. The obtained conductance oscillation and linear current-voltage curves are interpreted. To analyze the conduction mechanism in detail, the transmission channels and their decomposition to the atomic orbitals are calculated in copper and gold single point contacts. The presented results offer a possible explanation for the relation between conduction and geometric structure. Furthermore, the results are in good agreement with available experimental and theoretical studies. (orig.)
Energy dependence of the effective atomic number of soils
International Nuclear Information System (INIS)
The effective atomic number (Zsub(eff)) of five different soils have been calculated for different photon interaction processes to check the variation in Zsub(eff) with photon energy (10 keV to 100 MeV). For the total interaction process Zsub(eff) first increases with the increase in energy to 30-40 keV and then decreases sharply upto 400-500 keV and slowly further upto 1500-2000 keV beyond which there is small but continuous increase in Zsub(eff) with further increases in energy to 100 MeV. For photoelectric interaction Zsub(eff) increases in low energy region and then becomes independent of energy whereas for Compton scattering except below 100 keV, Zsub(eff) is constant upto 100 MeV. In case of pair production, Zsub(eff) decreases upto 3-4 MeV beyond which it becomes constant. (author). 10 refs., 4 figs
Newly appreciated roles for electrons in ion-atom collisions
International Nuclear Information System (INIS)
Since the previous Debrecen workshop on High-Energy Ion-Atom Collisions there have been numerous experiments and substantial theoretical developments in the fields of fast ion-atom and ion- solid collisions concerned with explicating the previously largely underappreciated role of electrons as ionizing and exciting agents in such collisions. Examples to be discussed include the double electron ionization problem in He; transfer ionization by protons in He; double excitation in He; backward scattering of electrons in He; the role of electron-electron interaction in determining beta parameters for ELC; projectile K ionization by target electrons; electron spin exchange in transfer excitation; electron impact ionization in crystal channels; resonant coherent excitation in crystal channels; excitation and dielectronic recombination in crystal channels; resonant transfer and excitation; the similarity of recoil ion spectra observed in coincidence with electron capture vs. electron loss; and new research on ion-atom collisions at relativistic energies
The effect of atomic electrons on nuclear fission
Dzuba, V. A.; Flambaum, V. V.
2008-01-01
We calculate correction to the nuclear fission barrier produced by the atomic electrons. The result presented in analytical form is convenient to use in future nuclear calculations. The atomic electrons have a small stabilizing effect on nuclei, increasing lifetime in nuclear fission channel. This effect gives a new instrument to study the fission process.
Mutual ionization in atomic collisions near the electronic threshold
International Nuclear Information System (INIS)
We study mutual ionization in collisions between atomic hydrogen and helium at impact velocities near the electronic threshold for this process. We show that this process is substantially influenced by the Coulomb repulsion between the emitted electrons and that the atomic nuclei are very strongly involved in the momentum balance along the collision velocity. (paper)
International Nuclear Information System (INIS)
Highlights: ► Mass attenuation coefficient of Inconel 738 superalloy was measured. ► Gamma-ray energies were changed by Compton scattering technique. ► Effective atomic number and electron density are also calculated. ► All parameters decrease with increased energy. ► The experimental values are in good agreement with theoretical ones. - Abstract: The mass attenuation coefficient of Inconel 738 superalloy has been measured at different gamma ray energies by using the Compton scattering technique. The theoretical values of mass attenuation coefficient of a glass sample were calculated using WinXCom program. The effective atomic number and electron density are also calculated. The results showed that the mass attenuation coefficients, effective atomic number and electron density increase with the decrease in gamma ray energies which is in good agreement with theoretical values (less than 2% error)
Multi-million atom electronic structure calculations for quantum dots
Usman, Muhammad
Quantum dots grown by self-assembly process are typically constructed by 50,000 to 5,000,000 structural atoms which confine a small, countable number of extra electrons or holes in a space that is comparable in size to the electron wavelength. Under such conditions quantum dots can be interpreted as artificial atoms with the potential to be custom tailored to new functionality. In the past decade or so, these nanostructures have attracted significant experimental and theoretical attention in the field of nanoscience. The new and tunable optical and electrical properties of these artificial atoms have been proposed in a variety of different fields, for example in communication and computing systems, medical and quantum computing applications. Predictive and quantitative modeling and simulation of these structures can help to narrow down the vast design space to a range that is experimentally affordable and move this part of nanoscience to nano-Technology. Modeling of such quantum dots pose a formidable challenge to theoretical physicists because: (1) Strain originating from the lattice mismatch of the materials penetrates deep inside the buffer surrounding the quantum dots and require large scale (multi-million atom) simulations to correctly capture its effect on the electronic structure, (2) The interface roughness, the alloy randomness, and the atomistic granularity require the calculation of electronic structure at the atomistic scale. Most of the current or past theoretical calculations are based on continuum approach such as effective mass approximation or k.p modeling capturing either no or one of the above mentioned effects, thus missing some of the essential physics. The Objectives of this thesis are: (1) to model and simulate the experimental quantum dot topologies at the atomistic scale; (2) to theoretically explore the essential physics i.e. long range strain, linear and quadratic piezoelectricity, interband optical transition strengths, quantum confined
Dynamics of a single-atom electron pump
van der Heijden, J.; Tettamanzi, G. C.; Rogge, S.
2016-01-01
Single-electron pumps based on isolated impurity atoms have recently been experimentally demonstrated. In these devices the Coulomb potential of an atom creates a localised electron state with a large charging energy and considerable orbital level spacings, enabling robust charge capturing processes. In these single-atom pumps, the confinement potential is hardly affected by the periodic driving of the system. This is in contrast to the often used gate-defined quantum dot pumps, for which a s...
Atomic Electronic Contract Protocol Based on Convertible Signature
Institute of Scientific and Technical Information of China (English)
LIU Yi-chun; WANG Li-na; ZHANG Huan-guo
2005-01-01
A new class of atomicity, namely contract atomicity is presented. A new technical strategy based on convertible signature and two-phase commitment is proposed for implementing atomicity of electronic contract protocol. A new atomic contract signing protocol is given out by using ElGamal-like convertible undeniable signature and commitment of conversion key, and another new atomic contract signing protocol is brought forward by using RSA-based convertible undeniable signature scheme and commitment of conversion key.These two new protocols are proved to be of atomicity, fairness, privacy, non-repudiation.
Electron Scattering From Atoms, Molecules, Nuclei, and Bulk Matter
Whelan, Colm T
2005-01-01
Topics that are covered include electron scattering in the scanning TEM; basic theory of inelastic electron imaging; study of confined atoms by electron excitation; helium bubbles created in extreme pressure with application to nuclear safety; lithium ion implantation; electron and positron scattering from clusters; electron scattering from physi- and chemi-absorbed molecules on surfaces; coincidence studies; electron scattering from biological molecules; electron spectroscopy as a tool for environmental science; electron scattering in the presence of intense fields; electron scattering from astrophysical molecules; electon interatctions an detection of x-ray radiation.
Multi-electron ionisation in driven atoms and molecules
Price, H.
2014-01-01
In this thesis we formulate sophisticated quasiclassical techniques to describe corre- lated electron dynamics in atoms and diatomic molecules that are either absorbing a single photon or are driven by strong infrared laser fields. The first part of this thesis concerns the multi-electron ionisation in atoms following single-photon absorption. For excess photon energies close to threshold, the Wannier threshold law predicts that the electrons escape in the most symmetric way. We describe the ...
Negative differential resistance in a one-dimensional molecular wire with odd number of atoms
Indian Academy of Sciences (India)
S Lakshmi; Swapan K Pati
2005-10-01
We have investigated the effects of electron{phonon coupling on the current-voltage characteristics of a one-dimensional molecular wire with odd number of atoms. The wire has been modelled using the Su-Schreiffer-Heeger (SSH) Hamiltonian and the current{voltage characteristics have been obtained using the Landauer's formalism. In the presence of strong electron-lattice coupling, we find that there are regions of negative differential resistance (NDR) at some critical bias, due to the degeneracy in the energies of the frontier molecular orbitals. The presence of the applied bias and the electron{lattice coupling results in the delocalization of these low-lying molecular states leading to the NDR behaviour.
Electronic Conduction through Atomic Chains, Quantum Well and Quantum Wire
International Nuclear Information System (INIS)
Charge transport is dynamically and strongly linked with atomic structure, in nanostructures. We report our ab-initio calculations on electronic transport through atomic chains and the model calculations on electron-electron and electron-phonon scattering rates in presence of random impurity potential in a quantum well and in a quantum wire. We computed synthesis and ballistic transport through; (a) C and Si based atomic chains attached to metallic electrodes, (b) armchair (AC), zigzag (ZZ), mixed, rotated-AC and rotated-ZZ geometries of small molecules made of 2S, 6C and 4H atoms attaching to metallic electrodes, and (c) carbon atomic chain attached to graphene electrodes. Computed results show that synthesis of various atomic chains are practically possible and their transmission coefficients are nonzero for a wide energy range. The ab-initio calculations on electronic transport have been performed with the use of Landauer-type scattering formalism formulated in terms of Grben's functions in combination with ground-state DFT. The electron-electron and electron-phonon scattering rates have been calculated as function of excitation energy both at zero and finite temperatures for disordered 2D and 1D systems. Our model calculations suggest that electron scattering rates in a disordered system are mainly governed by effective dimensionality of a system, carrier concentration and dynamical screening effects.
Study on Material Discrimination by Atomic Number Using Dual Energy γ-Rays
International Nuclear Information System (INIS)
This study aims to demonstrate the practical value of radioscopic differentiation of materials. The dual energy method is proposed for identifying materials according to atomic numbers. The differentiation of materials is achieved by comparing the attenuation ratio of low and high energy photons. We used gamma-rays of 0.662 MeV and 1.25 MeV and NaI(Tl) scintillation detector with a Multi-channel Analyzer (MCA). We also carried out the Monte Carlo simulation for the case of bremsstrahlung radiation from dual electron beams of 4 MeV and 9 MeV
Exploring the Single Atom Spin State by Electron Spectroscopy.
Lin, Yung-Chang; Teng, Po-Yuan; Chiu, Po-Wen; Suenaga, Kazu
2015-11-13
To control the spin state of an individual atom is an ultimate goal for spintronics. A single atom magnet, which may lead to a supercapacity memory device if realized, requires the high-spin state of an isolated individual atom. Here, we demonstrate the realization of well isolated transition metal (TM) atoms fixed at atomic defects sparsely dispersed in graphene. Core-level electron spectroscopy clearly reveals the high-spin state of the individual TM atoms at the divacancy or edge of the graphene layer. We also show for the first time that the spin state of single TM atoms systematically varies with the coordination of neighboring nitrogen or oxygen atoms. These structures can be thus regarded as the smallest components of spintronic devices with controlled magnetic behavior. PMID:26613462
Measurement of atomic number and mass attenuation coefficient in magnesium ferrite
Indian Academy of Sciences (India)
R H Kadam; S T Alone; G K Bichile; K M Jadhav
2007-05-01
Pure magnesium ferrite sample was prepared by standard ceramic technique and characterized by X-ray diffraction method. XRD pattern revealed that the sample possess single-phase cubic spinel structure. The linear attenuation coefficient (), mass attenuation coefficient (/ρ), total atomic cross-section (tot), total electronic cross-section (ele) and the effective atomic number (eff) were calculated for pure magnesium ferrite (MgFe2O4). The values of -ray mass attenuation coeﬃcient were obtained using a NaI energy selective scintillation counter with radioactive -ray sources having energy 0.36, 0.511, 0.662, 1.17 and 1.28 MeV. The experimentally obtained values of /ρ and eff agreed fairly well with those obtained theoretically.
Atomic structure and electronic states of extended defects in silicon
International Nuclear Information System (INIS)
Defects in silicon like dislocations, grain boundaries, silicide precipitates, etc. are spatially extended and associated with a large number of electronic states in the band gap. Our knowledge on the relation between atomic structure and electronic states of these extended defects presently starts to grow by applying high-resolution electron microscopy (HRTEM) and deep level transient spectroscopy (DLTS) in combination with numerical simulations. While by means of HRTEM details of structure can be studied, DLTS has been shown to allow for a classification of extended defect states into bandlike and localized. Moreover, this method opens the perspective to distinguish between trap-like and recombination-like electrical activity. In this paper, we emphasize the particular role of nickel and copper silicide precipitates, since in their cases structural features could be successfully related to specific DLTS line characteristics. Rapid quenching from high diffusion temperatures prevents decoration of platelet-shaped NiSi2 and Cu3Si precipitates with other impurities. This allows to study their intrinsic electrical activity. Comparison of experimental results with numerical simulations enables identification of structural units originating electrical activity and yields first evaluations of extended defect parameters. Accordingly, e.g., in the case of as-quenched NiSi2 it is the dislocation bounding the platelet that provides a one-dimensional distribution of deep electronic states
Large atom number Bose-Einstein condensate of sodium
van der Stam, K M R; Meppelink, R; Vogels, J M; Van der Straten, P
2006-01-01
We describe the setup to create a large Bose-Einstein condensate containing more than 120x10^6 atoms. In the experiment a thermal beam is slowed by a Zeeman slower and captured in a dark-spot magneto-optical trap (MOT). A typical dark-spot MOT in our experiments contains 2.0x10^10 atoms with a temperature of 320 microK and a density of about 1.0x10^11 atoms/cm^3. The sample is spin polarized in a high magnetic field, before the atoms are loaded in the magnetic trap. Spin polarizing in a high magnetic field results in an increase in the transfer efficiency by a factor of 2 compared to experiments without spin polarizing. In the magnetic trap the cloud is cooled to degeneracy in 50 s by evaporative cooling. To suppress the 3-body losses at the end of the evaporation the magnetic trap is decompressed in the axial direction.
International Nuclear Information System (INIS)
A new method for measuring cross sections for the scattering of electrons by laser-excited atoms is described. It is a generalization of the atomic-beam recoil technique, taking advantage of the recoil of atoms during resonant photon interactions to spatially separate excited from nonexcited atoms. A preliminary value for the total cross section for the scattering of electrons by the 32P3/2(m/sub F/=3) state of sodium at 4.4 eV is presented
[Electron transfer, ionization, and excitation in atomic collisions]: Progress report
International Nuclear Information System (INIS)
The fundamental processes of electron transfer, ionization, and excitation in ion-atom collisions are being studied. These collision processes are treated in the context of simple one- or two-electron systems in order to provide unambiguous results and reveal more clearly the collisional mechanisms. As outlined in the original proposal, three coupled-state calculations are being carried out over the present three-year period: a Sturmian-pseudostate study of ionization in collisions between protons and the hydrogenic ions He+, Li2+, Be3+, ...; a triple-center, atomic-state study of ionization in collisions between α particles and H(ls) atoms and between protons and He+(ls) ions; and an atomic-state study of electron transfer and excitation in collisions between protons and neutral He atoms. 12 refs
Electronic state of helium atoms in nickel metal
International Nuclear Information System (INIS)
The molecular orbital calculations are carried out for model clusters to investigate the electronic state of the interstitial helium atoms implanted into nickel metal. The computational method used is the discrete variational Xα (DV-Xα) method. In order to study the difference in the electronic structures of helium atoms between at the tetrahedral site and at the octahedral one, the computations are performed using model clusters, Ni4He and Ni6He. The bond strength is evaluated by the use of Mulliken population analysis. The computations are also carried out for the larger cluster Ni14He to investigate the size effect of the cluster model. Furthermore, the electronic structure of the He9 cluster in Ni metal is studied, using the Ni14He9 cluster model which includes both of tetrehedral and octahedral interstitial He atoms. This paper discusses the interactions between He and Ni atoms when both interstitial He atoms coexist. (orig.)
International Nuclear Information System (INIS)
The aim of this book is to present highly accurate and extensive theoretical Atomic data and to give a survey of selected calculational methods for atomic physics, used to obtain these data. The book presents the results of calculations of cross sections and probabilities of a broad variety of atomic processes with participation of photons and electrons, namely on photoabsorption, electron scattering and accompanying effects. Included are data for photoabsorption and electron scattering cross-sections and probabilities of vacancy decay formed for a large number of atoms and ions. Attention is also given to photoionization and vacancy decay in endohedrals and to positron-atom scattering. The book is richly illustrated. The methods used are one-electron Hartree-Fock and the technique of Feynman diagrams that permits to include many-electron correlations. This is done in the frames of the Random Phase approximation with exchange and the many-body perturbation theory. Newly obtained and previously collected atomic data are presented. The atomic data are useful for investigating the electronic structure and physical processes in solids and liquids, molecules and clusters, astronomical objects, solar and planet atmospheres and atomic nucleus. Deep understanding of chemical reactions and processes is reached by deep and accurate knowledge of atomic structure and processes with participation of atoms. This book is useful for theorists performing research in different domains of contemporary physics, chemistry and biology, technologists working on production of new materials and for experimentalists performing research in the field of photon and electron interaction with atoms, molecules, solid bodies and liquids.
Energy Technology Data Exchange (ETDEWEB)
Amusia, Miron [Hebrew Univ., Jerusalem (Israel). Racah Inst. of Physics; Ioffe Physico-Technical Inst., St. Petersburg (Russian Federation); Chernysheva, Larissa [Ioffe Physico-Technical Inst., St. Petersburg (Russian Federation); Yarzhemsky, Victor [Kurnakov Institute of General and Inorganic Chemistry, Moscow (Russian Federation)
2012-07-01
The aim of this book is to present highly accurate and extensive theoretical Atomic data and to give a survey of selected calculational methods for atomic physics, used to obtain these data. The book presents the results of calculations of cross sections and probabilities of a broad variety of atomic processes with participation of photons and electrons, namely on photoabsorption, electron scattering and accompanying effects. Included are data for photoabsorption and electron scattering cross-sections and probabilities of vacancy decay formed for a large number of atoms and ions. Attention is also given to photoionization and vacancy decay in endohedrals and to positron-atom scattering. The book is richly illustrated. The methods used are one-electron Hartree-Fock and the technique of Feynman diagrams that permits to include many-electron correlations. This is done in the frames of the Random Phase approximation with exchange and the many-body perturbation theory. Newly obtained and previously collected atomic data are presented. The atomic data are useful for investigating the electronic structure and physical processes in solids and liquids, molecules and clusters, astronomical objects, solar and planet atmospheres and atomic nucleus. Deep understanding of chemical reactions and processes is reached by deep and accurate knowledge of atomic structure and processes with participation of atoms. This book is useful for theorists performing research in different domains of contemporary physics, chemistry and biology, technologists working on production of new materials and for experimentalists performing research in the field of photon and electron interaction with atoms, molecules, solid bodies and liquids.
Gamma attenuation characteristics and effective atomic numbers of polypropylene and polystyrene
International Nuclear Information System (INIS)
Gamma attenuation characteristics of polymer materials polypropylene and polystyrene are studied along with lead, iron and aluminum by subjecting them to gamma ray fields of known energies. A precise method for determination of mass attenuation coefficient of gamma rays using NaI (Tl) detector with 8k MCA is described in this paper. In order to minimize the effect of multiple scattering on the mass attenuation coefficient (μ/ρ) value, a good geometry arrangement was setup. For standardization purposes the mass attenuation coefficients of elemental shields like lead, iron and aluminum were measured and then, this method is applied for polymers of interest. The total atomic cross-section (σt,a) and total electronic cross-section (σt,el) were determined and by knowing the values of (σt,a) and (σt,el) the effective atomic numbers were estimated using the NIST XCOM. The experimental values were compared with the theoretical values. The agreement of experimental values of mass attenuation coefficients and effective atomic numbers with the theory has been found to be quite satisfactory. (author)
Electron-impact ionization of heavy atomic ions
International Nuclear Information System (INIS)
General theoretical methods for the calculation of direct and indirect processes in the electron-impact ionization of heavy atomic ions are reviewed. Cross section results for Xe8+ and U89+ are presented. 12 refs., 4 figs
Two-electron processes in atom-photon interactions
International Nuclear Information System (INIS)
Two-electron processes in atom-photon interactions have been studied. Various mechanisms of double photoionization, angular correlations, total cross sections, energy distributions and results for non-Helium like systems are discussed
Electron transfer, ionization, and excitation in atomic collisions: Progress report
International Nuclear Information System (INIS)
The fundamental processes of electron transfer, ionization, and excitation in ion-atom collisions are being studied at Penn State by Winter. (The related work of Alston, who recently came to Penn State, is not described here since he is not at present funded by DOE.) These collision processes are treated in the context of simple one- or two-electron systems in order to provide unambiguous results and reveal more clearly the collisional mechanisms. Three coupled-state calculations are being carried out over the present three-year period and are discussed here: a Sturmian-pseudostate study of electron transfer in collisions between protons and the hydrogenic ions He+, Li2+, Be3+, ...; a triple-center, atomic-state study of ionization in collisions between α particles and H(ls) atoms and between protons and He+(ls) ions; and a coupled-state study of electron transfer and excitation in collisions between protons and neutral He atoms
Raman Sideband Cooling of Two-Valence-Electron Fermionic Atoms
Institute of Scientific and Technical Information of China (English)
LI Guo-Hui; XU Xin-Ye
2011-01-01
We propose a method for laser cooling two-valence-electron fermionic atoms. Our protocol employs resolved-sideband cooling on the stimulated Raman transition between the two magnetic sublevels (m = F and m = F - 1) of the ground state with total anguiar momentum F. The optical pumping from m = F - 1 to 1 Pi are used to decouple atoms in the m = F - 1 state. We calculate the Raman coupling generated by an engineered optical lattice. The result shows that it is possible to laser cool the two-valence-electron fermionic atoms to the ground state. The atoms in the ground state provide a new system for quantum optics.%@@ We propose a method for laser cooling two-valence-electron fermionic atoms.Our protocol employs resolved- sideband cooling on the stimulated Raman transition between the two magnetic sublevels (m=F and m = F- 1) of the ground state with total angular momentum F.The optical pumping from m = F - 1 to p are used to decouple atoms in the m = F - 1 state.We calculate the Raman coupling generated by an engineered optical lattice.The result shows that it is possible to laser cool the two-valence-electron fermionic atoms to the ground state.The atoms in the ground state provide a new system for quantum optics.
Multichannel eikonal treatment of electron--atom collisions
International Nuclear Information System (INIS)
A multichannel treatment of atomic collisions is presented and applied to the excitation of atomic hydrogen and helium by electrons with incident energy above the ionization threshold. The calculated cross sections compare very favorably with other refined theoretical procedures and with various experiments
Spin Effects in Collisions of Electrons with Atoms and Molecules
Institute of Scientific and Technical Information of China (English)
无
2000-01-01
Some recent experimental and theoretical work on spin-dependent electron-atom and electron-molecule collisions is reviewed. The spin is involved in such collisions by explicit spin-dependent interactions such as the spin-orbit interaction of the continuum electron (Mott scattering) but also by exchange, which, in conjunction with the Pauli principle, gives rise to observable spin exchange effects. We present results for Mn and Na atoms and experiments in which electron dichroism with chiral molecules has been studied.
International Nuclear Information System (INIS)
A scanning type x-ray imaging system which measures the absorption and differential phase shift in a material quantitatively and simultaneously has been developed. The absorption and differential phase are used to obtain the effective atomic number of organic material samples which closely reflects their chemical composition. An effective atomic number map of polymer fibers has been obtained. The experimentally obtained effective atomic numbers of these polymers agree well with the corresponding calculated values.
Atom trapping: application to electron collision studies of metastable helium
International Nuclear Information System (INIS)
Full text: We report on the first measurements of electron scattering from metastable helium atoms (He) confined in a magneto-optic trap (MOT). Using conventional crossed beam techniques, measurement of electron scattering cross sections for He is experimentally very difficult, due the intrinsically low atomic densities produced by nozzle discharge sources, and the need to locate the interaction region well away from stray electric and magnetic fields. Electron interactions with excited state atoms are fundamentally important to many naturally processes in atmospheric and astrophysical chemistry, gas lasers and plasma processing. Until these experiments, no data for He existed in the intermediate (10-100 eV) range to verify theoretical predictions. Our MOT contains up to 108 atoms at temperatures of ∼1mK that act as a high (∼109 cm-3) density target for a pulsed electron beam. We employ optical molasses to reduce the atomic velocity, and hence the trap decay time when released from the optical and magnetic fields. The total cross section is determined using phase modulation spectroscopy to measure the fractional loss rate of the trapped atoms with the electron gun on, and the electron current density is measured using scanning wire techniques to yield the absolute total cross section
Electronic Band Engineering of Epitaxial Graphene by Atomic Intercalation
Jayasekera, Thushari; Sandin, Andreas; Xu, Shu; Wheeler, Virginia; Gaskill, D. K.; Rowe, J. E.; Kim, K. W.; Dougherty, Daniel B.; Buongiorno Nardelli, M.
2012-02-01
Using calculations from first principles, we have investigated possible ways of engineering the electronic band structure of epitaxial graphene on SiC. In particular, intercalation of different atomic species, such as Hydrogen, Fluorine, Sodium, Germanium, Carbon and Silicon is shown to modify and tune the interface electronic properties and band alignments. Our results suggest that intercalation in graphene is quite different from that in graphite, and could provide a fundamentally new way to achieve electronic control in graphene electronics.
Pressure shifts and electron scattering in atomic and molecular gases
International Nuclear Information System (INIS)
In this work, the authors focus on one aspect of Rydberg electron scattering, namely number density effects in molecular gases. The recent study of Rydberg states of CH3I and C6H6 perturbed by H2 is the first attempt to investigate number density effects of a molecular perturber on Rydberg electrons. Highly excited Rydberg states, because of their ''large orbital'' nature, are very sensitive to the surrounding medium. Photoabsorption or photoionization spectra of CH3I have also been measured as a function of perturber pressure in 11 different binary gas mixtures consisting of CH3I and each one of eleven different gaseous perturbers. Five of the perturbers were rare gases (He, Ne, Ar, Kr, Xe) and six were non-dipolar molecules (H2, CH4, N2, C2H6, C3H8). The goal of this work is to underline similarities and differences between atomic and molecular perturbers. The authors first list some results of the molecular study
Electron and positron atomic elastic scattering cross sections
Energy Technology Data Exchange (ETDEWEB)
Stepanek, Jiri E-mail: jiri.stepanek@psi.ch
2003-02-01
A method was developed to calculate the total and differential elastic-scattering cross sections for incident electrons and positrons in the energy range from 0.01 eV to 1 MeV for atoms of Z=1-100. For electrons, hydrogen, helium, nitrogen, oxygen, krypton, and xenon, and for positrons, helium, neon, and argon atoms were considered for comparison with experimental data. First, the variationally optimized atomic static potentials were calculated for each atom by solving the Dirac equations for bound electron states. Second, the Dirac equations for a free electron or positron are solved for an atom using the previously calculated static potential accomplished (in the case of electrons) by 'adjusted' Hara's exchange potential for a free-state particle. Additional to the exchange effects, the charge cloud polarization effects are considered applying the correlation-polarization potential of O'Connell and Lane (with correction of Padial and Norcross) for incident electrons, and of Jain for incident positrons. The total, cutoff and differential elastic-scattering cross sections are calculated for incident electrons and positrons with the help of the relativistic partial wave analysis. The solid state effects for scattering in solids are described by means of a muffin-tin model, i.e. the potentials of neighboring atoms are superpositioned in such a way that the resulting potential and its derivative are zero in the middle distance between the atoms. The potential of isolated atom is calculated up to the radius at which the long-range polarization potential becomes a value of -10{sup -8}.
Sixteenth International Conference on the physics of electronic and atomic collisions
International Nuclear Information System (INIS)
This report contains abstracts of papers on the following topics: photons, electron-atom collisions; electron-molecule collisions; electron-ion collisions; collisions involving exotic species; ion- atom collisions, ion-molecule or atom-molecule collisions; atom-atom collisions; ion-ion collisions; collisions involving rydberg atoms; field assisted collisions; collisions involving clusters and collisions involving condensed matter
Sixteenth International Conference on the physics of electronic and atomic collisions
Energy Technology Data Exchange (ETDEWEB)
Dalgarno, A.; Freund, R.S.; Lubell, M.S.; Lucatorto, T.B. (eds.)
1989-01-01
This report contains abstracts of papers on the following topics: photons, electron-atom collisions; electron-molecule collisions; electron-ion collisions; collisions involving exotic species; ion- atom collisions, ion-molecule or atom-molecule collisions; atom-atom collisions; ion-ion collisions; collisions involving rydberg atoms; field assisted collisions; collisions involving clusters and collisions involving condensed matter.
Electron quantum dynamics in atom-ion interaction
Sabzyan, H.; Jenabi, M. J.
2016-04-01
Electron transfer (ET) process and its dependence on the system parameters are investigated by solving two-dimensional time-dependent Schrödinger equation numerically using split operator technique. Evolution of the electron wavepacket occurs from the one-electron species hydrogen atom to another bare nucleus of charge Z > 1. This evolution is quantified by partitioning the simulation box and defining regional densities belonging to the two nuclei of the system. It is found that the functional form of the time-variations of these regional densities and the extent of ET process depend strongly on the inter-nuclear distance and relative values of the nuclear charges, which define the potential energy surface governing the electron wavepacket evolution. Also, the initial electronic state of the single-electron atom has critical effect on this evolution and its consequent (partial) electron transfer depending on its spreading extent and orientation with respect to the inter-nuclear axis.
Anisotropy in electron-atom collisions
International Nuclear Information System (INIS)
Most of the work described in this thesis deals with studies using coincidence experiments, particularly for investigating the electron impact excitation of the 21P and 31D states in helium. A peculiarity is that in the 31D studies the directly emitted 31D → 21P photons are not observed but the 21P → 11S photons resulting from the 31D → 21P → 11S cascade instead. Another interesting point is the choice of the quantisation axis. The author demonstrates that it is of great advantage to take the quantisation axis perpendicular to the scattering plane rather than in the direction of the incident beam, as was done (on historical grounds) in previously reported electron-photon coincidence experiments. Contrary to the incident beam direction the axis perpendicular to the scattering plane really represents an axis of symmetry in the coincidence experiment. In Chapter II the so-called 'parity unfavoured' excitation of the (2p2)3P state of helium by electrons is studied. In chapter III the anisotropy parameters for the electron impact excitation of the 21P state of helium in the energy range from 26.6 to 40 eV and in the angular range from 300 to 1100 are determined. Chapter IV contains a description of a scattered electron cascaded-photon coincidence experiment on the electron impact excitation of helium's 31D state. The measurement of complex scattering amplitudes for electron impact excitation of the 31D and 31P states of helium is discussed in Chapter V. (Auth./C.F.)
Recent progress in electron scattering from atoms and molecules
Energy Technology Data Exchange (ETDEWEB)
Brunger, M. J. [Centre for Antimatter-Matter Studies, CAPS, Flinders University, GPO Box 2100, Adelaide, SA 5001, Australia and Institute of Mathematical Sciences, University of Malaya, Kuala Lumpur (Malaysia); Buckman, S. J. [Institute of Mathematical Sciences, University of Malaya, Kuala Lumpur, Malaysia and Centre for Antimatter-Matter Studies, AMPL, Australian National University, Canberra, ACT 0200 (Australia); Sullivan, J. P.; Palihawadana, P. [Centre for Antimatter-Matter Studies, AMPL, Australian National University, Canberra, ACT 0200 (Australia); Jones, D. B. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Chiari, L.; Pettifer, Z. [Centre for Antimatter-Matter Studies, CAPS, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Silva, G. B. da [Centre for Antimatter-Matter Studies, CAPS, Flinders University, GPO Box 2100, Adelaide, SA 5001, Australia and Universidade Federal de Mato Grosso, Barra do Garças, Mato Grosso (Brazil); Lopes, M. C. A. [Centre for Antimatter-Matter Studies, CAPS, Flinders University, GPO Box 2100, Adelaide, SA 5001, Australia and Departamento de Fisica, Universidade Federal de Juiz de Fora, Juiz de Fora, MG (Brazil); Duque, H. V. [Departamento de Fisica, Universidade Federal de Juiz de Fora, Juiz de Fora, MG (Brazil); Masin, Z.; Gorfinkiel, J. D. [Department of Physical Sciences, The Open University, Walton Hall, Milton Keynes, MK7 6AA (United Kingdom); Garcia, G. [Instituto de Fisica Fundamental, CSIC, Madrid E-28006 (Spain); Hoshino, M.; Tanaka, H. [Department of Physics, Sophia University, Tokyo, 102-8554 (Japan); Limão-Vieira, P. [Laboratório de Colisões Atómicas e Moleculares, CEFITEC, Universidade Nova de Lisboa, 2829-516 Caparica (Portugal)
2014-03-05
We present and discuss recent results, both experimental and theoretical (where possible), for electron impact excitation of the 3s[3/2 ]{sub 1} and 3s′[1/2 ]{sub 1} electronic states in neon, elastic electron scattering from the structurally similar molecules benzene, pyrazine, and 1,4-dioxane and excitation of the electronic states of the important bio-molecule analogue α-tetrahydrofurfuryl alcohol. While comparison between theoretical and experimental results suggests that benchmarked cross sections for electron scattering from atoms is feasible in the near-term, significant further theoretical development for electron-molecule collisions, particularly in respect to discrete excitation processes, is still required.
Bound electron states in clusters of inert atoms in magnetic field
International Nuclear Information System (INIS)
Electron states in inert gas clusters placed into the magnetic field are considered. It is shown that the external magnetic field leads to two important consequences: first, is leads to electron level deepening and consequently, to stabilization of charged cluster; second, the magnetic field leads to much lower values of atom critical numbers, under which the production of electron and cluster bound state is possible. 6 refs., 1 tab
NOx reduction by electron beam-produced nitrogen atom injection
Penetrante, Bernardino M.
2002-01-01
Deactivated atomic nitrogen generated by an electron beam from a gas stream containing more than 99% N.sub.2 is injected at low temperatures into an engine exhaust to reduce NOx emissions. High NOx reduction efficiency is achieved with compact electron beam devices without use of a catalyst.
Ultrafast electron diffraction: Visualization of atomic motion in 4D
International Nuclear Information System (INIS)
The pathways of transitions in materials and molecules are determined by the motions of atoms and electron densities, on Angstrom scales and in femtosecond or attosecond times. We provide here an account of how ultrashort electron pulses can be used to obtain a four-dimensional visualization in space and time. At two examples, the insulator-metal phase transformation in VO2 and the interlayer dynamics of graphite, we demonstrate the resolution of coherent and incoherent atomic displacements with picometer and femtosecond resolution, indicating the sequential nature of atomic motion in condensed matter transitions. Electron densities can move in times as short as attoseconds. Single-electron pulses afford some promise to reach into this novel regime; we discuss our approaches and what discoveries we may expect to see.
DFT reactivity indices in confined many-electron atoms
Indian Academy of Sciences (India)
Jorge Garza; Rubicelia Vargas; Norberto Aquino; K D Sen
2005-09-01
The density functional descriptors of chemical reactivity given by electronegativity, global hardness and softness are reported for a representative set of spherically confined atoms of IA, IIA, VA and VIIIA series in the periodic table. The atomic electrons are confined within the impenetrable spherical cavity defined by a given radius of confinement satisfying the Dirichlet boundary condition such that the electron density vanishes at the radius of confinement. With this boundary condition the non-relativistic spin-polarized Kohn-Sham equations were solved. The electronegativity in a confined atom is found to decrease as the radius of confinement is reduced suggesting that relative to the free state the atom loses its capacity to attract electrons under confined conditions. While the global hardness of a confined atom increases as the radius of confinement decreases, due to the accompanying orbital energy level crossing, it does not increase infinitely. At a certain confinement radius, the atomic global hardness is even reduced due to such crossover. General trends of the atomic softness parameter under spherically confined conditions are reported and discussed.
Coherent Transfer of Electronic Wavepacket Motion Between Atoms
Zhou, Tao; Richards, B. G.; Jones, R. R.
2016-05-01
We have shown that electron correlations, induced by controlled dipole-dipole (DD) interactions, can enable the coherent transfer of electronic wavepacket motion from atoms to their neighbors. In the experiment, a 5 ns tunable dye laser excites Rb atoms in a MOT to the 25s state in a weak static electric field for which the tunable 25s 33 s 24p34p DD interaction is resonant. A picosecond THz pulse then further excites each Rydberg atom into a coherent superposition, of 25s and 24p states. The evolution of this mixed-parity wavepacket is characterized by time-dependent oscillations in the electric dipole moment, with a period of 2.9 ps. Approximately 5 ns after the wavepacket creation, a second 5 ns dye-laser promotes a second set of atoms from the 5p level into the 33s state. Because of the DD interaction, the second dye laser actually creates atom pairs whose electronic states are correlated via the resonant DD coupling. A 33 s + 34p wavepacket, oscillating with the same 2.9 ps period as the 25 s + 24p wavepacket, develops on the second set of atoms as a result of the correlation. A second, time-delayed ps THz pulse enables the detection of the coherent wavepacket motion on the two sets of atoms. This research has been supported by the NSF.
Spectroscopic diagnostics of electron-atom collisions
International Nuclear Information System (INIS)
Progress from May 1, 1987 to April 30, 1991 is summarized in two Progress Reports that are reproduced in Appendix A, and in attached publications. Since then, we have completed manuscript preparations and publications of earlier observations, while carrying out a high energy-resolution measurement of electron collisional excitations in sodium. The results of the latter experiment have not been prepared for publication, and the manuscript is included as Appendix B. An additional manuscript, describing the unique high-current electron monochromator developed for this experiment, is in preparation and not enclosed. All additional results and conclusions of our work under the contract are now available in four publications that are attached at the back of this report. Consequently, we will elaborate on those only to note that we have achieved our proposed goals, with the full detail proposed but at a slightly slower pace than we had hoped
Electron coincidence experiments in atomic physics
International Nuclear Information System (INIS)
The author reports on two types of coincidence experiments involving collisions of electrons with target gases. These are the (e,2e) and (e,eγ) experiments. Coincidence experiments can completely determine the kinematics of a reaction. Under certain conditions this means that if the reaction is understood, it can yield direct detailed information on target structure or conversely if the structure is knwon it can lead to extremely sensitive information on the reaction mechanism
Man-Hong, Zhang
2016-05-01
By performing the electronic structure computation of a Si atom, we compare two iteration algorithms of Broyden electron density mixing in the literature. One was proposed by Johnson and implemented in the well-known VASP code. The other was given by Eyert. We solve the Kohn-Sham equation by using a conventional outward/inward integration of the differential equation and then connect two parts of solutions at the classical turning points, which is different from the method of the matrix eigenvalue solution as used in the VASP code. Compared to Johnson’s algorithm, the one proposed by Eyert needs fewer total iteration numbers. Project supported by the National Natural Science Foundation of China (Grant No. 61176080).
Electron-impact ionization of atomic hydrogen
International Nuclear Information System (INIS)
Since the invention of quantum mechanics, even the simplest example of collisional breakup in a system of charged particles, e- + H -> H+ + e- + e-, has stood as one of the last unsolved fundamental problems in atomic physics. A complete solution requires calculating the energies and directions for a final state in which three charged particles are moving apart. Advances in the formal description of three-body breakup have yet to lead to a viable computational method. Traditional approaches, based on two-body formalisms, have been unable to produce differential cross sections for the three-body final state. Now, by using a mathematical transformation of the Schrodinger equation that makes the final state tractable, a complete solution has finally been achieved, Under this transformation, the scattering wave function can be calculated without imposing explicit scattering boundary conditions. This approach has produced the first triple differential cross sections that agree on an absolute scale with experiment as well as the first ab initio calculations of the single differential cross section
Rule, D. W.
1977-01-01
The first born approximation (FBA) is applied to the calculation of single electron loss cross sections for various ions and atoms containing from one to seven electrons. Screened hydrogenic wave functions were used for the states of the electron ejected from the projectile, and Hartree-Fock elastic and incoherent scattering factors were used to describe the target. The effect of the target atom on the scaling of projectile ionization cross sections with respect to the projectile nuclear charge was explored in the case of hydrogen-like ions. Scaling of the cross section with respect to the target nuclear charge for electron loss by Fe (+25) in collision with neutral atoms ranging from H to Fe is also examined. These results were compared to those of the binary encounter approximation and to the FBA for the case of ionization by completely stripped target ions.
Electron paramagnetic resonance of individual atoms on a surface.
Baumann, Susanne; Paul, William; Choi, Taeyoung; Lutz, Christopher P; Ardavan, Arzhang; Heinrich, Andreas J
2015-10-23
We combined the high-energy resolution of conventional spin resonance (here ~10 nano-electron volts) with scanning tunneling microscopy to measure electron paramagnetic resonance of individual iron (Fe) atoms placed on a magnesium oxide film. We drove the spin resonance with an oscillating electric field (20 to 30 gigahertz) between tip and sample. The readout of the Fe atom's quantum state was performed by spin-polarized detection of the atomic-scale tunneling magnetoresistance. We determine an energy relaxation time of T1 ≈ 100 microseconds and a phase-coherence time of T2 ≈ 210 nanoseconds. The spin resonance signals of different Fe atoms differ by much more than their resonance linewidth; in a traditional ensemble measurement, this difference would appear as inhomogeneous broadening. PMID:26494753
Single-atom electron energy loss spectroscopy of light elements
Senga, Ryosuke; Suenaga, Kazu
2015-01-01
Light elements such as alkali metal (lithium, sodium) or halogen (fluorine, chlorine) are present in various substances and indeed play significant roles in our life. Although atomic behaviours of these elements are often a key to resolve chemical or biological activities, they are hardly visible in transmission electron microscope because of their smaller scattering power and higher knock-on probability. Here we propose a concept for detecting light atoms encaged in a nanospace by means of e...
[Electron transfer, ionization and excitation in atomic collisions
International Nuclear Information System (INIS)
The research being carried out at Penn State by Winter and Alston addresses the fundamental atomic-collision processes of electron transfer, ionization, and excitation. Winter has focussed attention on intermediate and, more recently, higher collision energies -- proton energies of at least about 50 keV -- for which coupled-state approaches are appropriate. Alston has concentrated on perturbative approaches to symmetric ion-ion/atom collisions at high energies and to asymmetric collisions at intermediate to high energies
Study of the electrons elastic scattering by atoms through pseudopotentials
International Nuclear Information System (INIS)
Pseudopotentials allow an extraordinary simplification in the calculation of the electronic structure of atoms, molecules and crystals. Though they have been used extensively for electronic structure calculations, little is known of their applicability to scattering. A study of the pseudopotentials of Bachelet, Hamann and Schuter in the electron scattering by atoms was made, calculating phase-shifts and cross sections for angular momenta 1=0,1 and 2 and energy up to 5 R y. The results for the pseudopotential were compared all-electron calculations. The agreement is very good in a broad energy band. A simplification of the calculation of scattering by complex molecules where an all-electron calculation is impossible is aimed. (author)
Exact wave functions for atomic electron interacting with photon fields
Institute of Scientific and Technical Information of China (English)
Dong-Sheng Guo
2013-01-01
Many nonlinear quantum optical physics phenomena need more accurate wave functions and corresponding energy or quasienergy levels to account for. An analytic expression of wave functions with corresponding energy levels for an atomic electron interacting with a photon field is presented as an exact solution to the SchrSdinger-like equation involved with both atomic Coulomb interaction and electron-photon interaction. The solution is a natural generalization of the quantum-field Volkov states for an otherwise free electron interacting with a photon field. The solution shows that an N- level atom in light form stationary states without extra energy splitting in addition to the Floquet mechanism. The treatment developed here with computing codes can be conveniently transferred to quantum optics in classical-field version as research tools to benefit the whole physics community.
[Electron transfer, ionization, and excitation in atomic collisions
International Nuclear Information System (INIS)
Fundamental processes of electron transfer, ionization, and excitation in ion-atom and ion-ion collisions are studied. Attention is focussed on one- and two-electron systems and, more recently, quasi-one-electron systems whose electron-target-ion core can be accurately modeled by one-electron potentials. The basic computational approaches can then be taken with few, if any, approximations, and the underlying collisional mechanisms can be more clearly revealed. At intermediate collision energies (e.g., proton energies for p-He+ collisions on the order of 100 kilo-electron volts), many electronic states are strongly coupled during the collision, a coupled-state approach, such as a coupled-Sturmian-pseudostate approach, is appropriate. At higher collision energies (million electron-volt energies) the coupling is weaker with, however, many more states being coupled together, so that high-order perturbation theory is essential
ATOMIC RESOLUTION CRYO ELECTRON MICROSCOPY OF MACROMOLECULAR COMPLEXES
Zhou, Z. Hong
2011-01-01
Single-particle cryo electron microscopy (cryoEM) is a technique for determining three-dimensional (3D) structures from projection images of molecular complexes preserved in their “native,” noncrystalline state. Recently, atomic or near-atomic resolution structures of several viruses and protein assemblies have been determined by single-particle cryoEM, allowing ab initio atomic model building by following the amino acid side chains or nucleic acid bases identifiable in their cryoEM density m...
Sub-Poissonian atom number fluctuations by three-body loss in mesoscopic ensembles
Whitlock, S; Spreeuw, R J C
2009-01-01
We show that three-body loss of trapped atoms leads to sub-Poissonian atom number fluctuations. We prepare hundreds of dense ultracold ensembles in an array of magnetic microtraps which undergo rapid three-body decay. The shot-to-shot fluctuations of the number of atoms per trap are sub-Poissonian, for ensembles comprising 50--300 atoms. The measured relative variance or Fano factor $F=0.53\\pm 0.22$ agrees very well with the prediction by an analytic theory ($F=3/5$) and numerical calculations. These results will facilitate studies of quantum information science with mesoscopic ensembles.
Sub-Poissonian atom-number fluctuations by three-body loss in mesoscopic ensembles.
Whitlock, S; Ockeloen, C F; Spreeuw, R J C
2010-03-26
We show that three-body loss of trapped atoms leads to sub-Poissonian atom-number fluctuations. We prepare hundreds of dense ultracold ensembles in an array of magnetic microtraps which undergo rapid three-body decay. The shot-to-shot fluctuations of the number of atoms per trap are sub-Poissonian, for ensembles comprising 50-300 atoms. The measured relative variance or Fano factor F=0.53+/-0.22 agrees very well with the prediction by an analytic theory (F=3/5) and numerical calculations. These results will facilitate studies of quantum information science with mesoscopic ensembles. PMID:20366518
Two-electron one-photon decay rates in doubly ionized atoms
International Nuclear Information System (INIS)
The transion rate for the two-electron one-photon and one-electron one-photon decaying processes in atoms bearing initially two K-shell vacancies were evaluated for Ne up to Zr. The two-electron one-photon decay process is considered to be the result of the interaction between the jumping electrons and their interaction with the radiation field. The calculation is performed in second order perturbation theory and the many particle states are constructed from single particle solutions. The present approach allows one to discuss several aspects of the decaying process. The results obtained for the branching ratio between the two processes reproduces reasonably well available experimental data and show an almost linear dependence on the second power of the atomic number. A comparison with other theoretical predictions is also presented for the two decaying processes and the strong dependence of the branching ratio on the initial configuration of the decaying atom is pointed out. (Author)
Electron capture by fluorinated fullerene anions in collisions with Xe atoms
DEFF Research Database (Denmark)
Boltalina, OV; Hvelplund, P; Jørgensen, Thomas J. D.;
2000-01-01
Electron capture by 50-keV fluorinated fullerene anions (C60Fn- 18
Study of Effective Atomic Number in Compounds Using Gamma-Ray Interaction
Rudraswamy, B.; Dhananjaya, N.
2009-03-01
In view of low cost, hydrogenous materials such as Polyethylene and CH2 have been developed and being used currently by NASA as an effective galactic cosmic radiation shields in place of aluminum for hull design of spacecraft. Lead, steel and concrete which are currently being used as effective radiation shields for the treatment of rooms equipped with Electron accelerators are found be quite expensive. Hence, it is necessary to use alternative low cost material which serves as an effective radiation shield. In the present study, an attempt has been made to measure gamma-ray mass attenuation coefficient, effective atomic number and absorbed dose rate of the compounds such as NH4Cl, KCl, and CdO using various gamma sources of energies 356, 511, 662, 1173, and 1332 keV. These parameters are expected to gives vital information on the selection of shielding materials.
Single-Shot Electron Diffraction using a Cold Atom Electron Source
Speirs, Rory W; Nugent, Keith A; Sparkes, Benjamin M; Scholten, Robert E
2015-01-01
Cold atom electron sources are a promising alternative to traditional photocathode sources for use in ultrafast electron diffraction due to greatly reduced electron temperature at creation, and the potential for a corresponding increase in brightness. Here we demonstrate single-shot, nanosecond electron diffraction from monocrystalline gold using cold electron bunches generated in a cold atom electron source. The diffraction patterns have sufficient signal to allow registration of multiple single-shot images, generating an averaged image with significantly higher signal-to-noise ratio than obtained with unregistered averaging. Reflection high-energy electron diffraction (RHEED) was also demonstrated, showing that cold atom electron sources may be useful in resolving nanosecond dynamics of nanometre scale near-surface structures.
Positivity of the spherically averaged atomic one-electron density
DEFF Research Database (Denmark)
Fournais, Søren; Hoffmann-Ostenhof, Maria; Hoffmann-Ostenhof, Thomas; Østergaard Sørensen, Thomas
2008-01-01
We investigate the positivity of the spherically averaged atomic one-electron density . For a which stems from a physical ground state we prove that for r ≥ 0. This article may be reproduced in its entirety for non-commercial purposes.......We investigate the positivity of the spherically averaged atomic one-electron density . For a which stems from a physical ground state we prove that for r ≥ 0. This article may be reproduced in its entirety for non-commercial purposes....
Electroionization lasers using electron transitions in inert gas atoms
Basov, N. G.; Danilychev, V. A.; Kholin, I. V.
1986-04-01
Recent developments in high-power quasi-continuous-wave lasers based on electron transitions in inert gas atoms and pumped by fast electrons or by the electroionization method are reviewed. In particular, attention is given to high-pressure lasers using atomic transitions in XeI, KrI, ArI, and NeI which generate in the visible and near-infrared regions of the spectrum. The advantages of these lasers over other high-power lasers and, particularly, over the CO2 laser are examined.
Image simulation for atomic resolution secondary electron image
International Nuclear Information System (INIS)
It has been demonstrated recently that an atomic resolution secondary electron (SE) image can be achieved with a scanning transmission electron microscope (STEM) equipped with a probe-aberration corrector. Its high sensitivity to the surface structure provides a powerful tool to simultaneously study both surface and bulk structure in the STEM, in the combination with the annular dark field (ADF) image. To quantitatively explain the atomic resolution SE image and retrieve surface-structure information, an image simulation is required. Here, we develop a method to simultaneously calculate, for the first time, the atomic resolution SE and ADF-STEM images, based on the multislice method with a frozen-phonon approximation. An object function for secondary electrons, derived from the inelastic scattering, is used to calculate the intensity distribution of the secondary electrons emitted from each slice. The simulations show that the SE image contrast is sensitive to the surface structure and the electron inelastic mean free path, but insensitive to specimen thickness when the thickness is more than 5 nm. The simulated SE images for SrTiO3 crystal show good agreement with the experimental observations. -- Highlights: ► A method is proposed to simulate secondary electron images at atomic resolution. ► Multislice method is used for propagation of primary electrons. ► An object function is derived to calculate secondary electrons emitted from each slice. ► The calculations are compared with experiments. ► It is demonstrated that the secondary electron image is sensitive to the surface structure.
Cold electron sources using laser-cooled atoms
McCulloch, Andrew J.; Sparkes, Ben M.; Scholten, Robert E.
2016-08-01
Since the first observation of electron diffraction in 1927, electrons have been used to probe the structure of matter. High-brightness sources of thermal electrons have recently emerged that are capable of simultaneously providing high spatial resolving power along with ultrafast temporal resolution, however they are yet to demonstrate the holy grail of single-shot diffraction of non-crystalline objects. The development of the cold atom electron source, based around the ionisation of laser cooled atoms, has the potential to contribute to this goal. Electron generation from laser cooled atoms is in its infancy, but in just ten years has moved from a proposal to a source capable of performing single-shot diffraction imaging of crystalline structures. The high brightness, high transverse coherence length, and small energy spread of cold electron sources are also potentially advantageous for applications ranging from seeding of x-ray free-electron lasers and synchrotrons to coherent diffractive imaging and microscopy. In this review we discuss the context which motivates the development of these sources, the operating principles of the source, and recent experimental results. The achievements demonstrated thus far combined with theoretical proposals to alleviate current bottlenecks in development promise a bright future for these sources.
Biprism electron interferometry with a single atom tip source
Energy Technology Data Exchange (ETDEWEB)
Schütz, G.; Rembold, A.; Pooch, A.; Meier, S. [Institute of Physics and Center for Collective Quantum Phenomena in LISA" +, University of Tübingen, Auf der Morgenstelle 15, 72076 Tübingen (Germany); Schneeweiss, P.; Rauschenbeutel, A. [Vienna Center for Quantum Science and Technology, TU Wien - Atominstitut, 1020 Vienna (Austria); Günther, A. [Institute of Physics and Center for Collective Quantum Phenomena in LISA" +, University of Tübingen, Auf der Morgenstelle 14, 72076 Tübingen (Germany); Chang, W.T.; Hwang, I.S. [Institute of Physics, Academia Sinica, Nankang, Taipei, Taiwan (China); Stibor, A., E-mail: alexander.stibor@uni-tuebingen.de [Institute of Physics and Center for Collective Quantum Phenomena in LISA" +, University of Tübingen, Auf der Morgenstelle 15, 72076 Tübingen (Germany)
2014-06-01
Experiments with electron or ion matter waves require a coherent, monochromatic and long-term stable source with high brightness. These requirements are best fulfilled by single atom tip (SAT) field emitters. The performance of an iridium covered W(111) SAT is demonstrated and analyzed for electrons in a biprism interferometer. Furthermore we characterize the emission of the SAT in a separate field electron and field ion microscope and compare it with other emitter types. A new method is presented to fabricate the electrostatic charged biprism wire that separates and combines the matter wave. In contrast to other biprism interferometers the source and the biprism size are well defined within a few nanometers. The setup has direct applications in ion interferometry and Aharonov–Bohm physics. - Highlights: • The performance of a single atom tip is demonstrated in an electron interferometer. • The single atom tip emission is characterized in a field ion microscope. • A new method for the preparation of a biprism beam splitter is presented. • The electron emission of a single atom tip is studied in the time domain.
Numerical Studies of Collective Phenomena in Two-Dimensional Electron and Cold Atom Systems
Energy Technology Data Exchange (ETDEWEB)
Rezayi, Edward
2013-07-25
Numerical calculations were carried out to investigate a number of outstanding questions in both two-dimensional electron and cold atom systems. These projects aimed to increase our understanding of the properties of and prospects for non-Abelian states in quantum Hall matter.
International Nuclear Information System (INIS)
The cross sections of intercombination transitions (ICT) between high-excited levels of atoms during the collisions of the latter with electrons are considered. A method is proposed for calculating ICT cross sections which are orbital quantum number totals. A comparison with the cross section calculated within the scope of quasiclassic approach is performed. Both methods yield close results
Laser Assisted Free-Free Transition in Electron - Atom Collision
Sinha, C.; Bhatia, A. K.
2011-01-01
Free-free transition is studied for electron-Hydrogen atom system in ground state at very low incident energies in presence of an external homogeneous, monochromatic and linearly polarized laser field. The incident electron is considered to be dressed by the laser in a non perturbative manner by choosing the Volkov solutions in both the channels. The space part of the scattering wave function for the electron is solved numerically by taking into account the effect of electron exchange, short range as well as of the long range interactions. Laser assisted differential as well as elastic total cross sections are calculated for single photon absorption/emission in the soft photon limit, the laser intensity being much less than the atomic field intensity. A strong suppression is noted in the laser assisted cross sections as compared to the field free situations. Significant difference is noted in the singlet and the triplet cross sections.
Effective atomic numbers of some tissue substitutes by different methods: a comparative study
International Nuclear Information System (INIS)
Effective atomic numbers of some human organ tissue substitutes such as polyethylene terephthalate, red articulation wax, paraffin 1, paraffin 2, bolus, pitch, polyphenylene sulfide, polysulfone, polyvinylchloride, and modeling clay have been calculated by four different methods like Auto-Zeff, direct, interpolation, and power law. It was found that the effective atomic numbers computed by Auto-Zeff, direct and interpolation methods were in good agreement for intermediate energy region (0.1 MeV eff was observed in photo-electric and pair-production regions. Effective atomic numbers computed by power law were found to be close to direct method in photo-electric absorption region. The Auto-Zeff, direct and interpolation methods were found to be in good agreement for computation of effective atomic numbers in intermediate energy region (100 keV < E < 10 MeV). The direct method was found to be appropriate method for computation of effective atomic numbers in photo-electric region (10 keV < E < 100 keV). The tissue equivalence of the tissue substitutes is possible to represent by any method for computation of effective atomic number mentioned in the present study. An accurate estimation of Rayleigh scattering is required to eliminate effect of molecular, chemical, or crystalline environment of the atom for estimation of gamma interaction parameters. (author)
Coherence and correlation in electron-atom collisions
Energy Technology Data Exchange (ETDEWEB)
Slevin, J.A. (Saint Patrick' s Coll., Maynooth (Ireland)); Chwirot, S. (Uniwersytet Mikolaja Kopernika, Torun (Poland). Inst. Fizyki)
1990-01-28
Recent developments in the field of alignment and orientation studies of electron impact excitation of atoms are discussed. This article reviews experiments which have a well defined planar symmetry, i.e. in which the initial and final momenta of electrons are determined. The experimental results obtained by different groups during the last four years are presented after a brief theoretical introduction followed by a description of typical experimental arrangements. (author).
Coherence and correlation in electron-atom collisions
International Nuclear Information System (INIS)
Recent developments in the field of alignment and orientation studies of electron impact excitation of atoms are discussed. This article reviews experiments which have a well defined planar symmetry, i.e. in which the initial and final momenta of electrons are determined. The experimental results obtained by different groups during the last four years are presented after a brief theoretical introduction followed by a description of typical experimental arrangements. (author)
Electron radiative self-energy of highly stripped heavy atoms
International Nuclear Information System (INIS)
A new algorithm is presented for the evaluation of the electron radiative self-energy in heavy atoms, for which Zα is not a perturbative expansion parameter. The algorithm for hydrogenic ions is presented in detail. The terms to be evaluated numerically are finite, free of spurious gauge dependent parts, and are not in the form of a subtraction. The extension to many electron ions is also discussed. copyright 1991 Academic Press, Inc
Dynamics of excess electrons in atomic and molecular clusters
Young, Ryan Michael
2011-01-01
Femtosecond time-resolved photoelectron imaging (TRPEI) is applied to the study of excess electrons in clusters as well as to microsolvated anion species. This technique can be used to perform explicit time-resolved as well as one-color (single- or multiphoton) studies on gas phase species. The first part of this dissertation details time-resolved studies done on atomic clusters with an excess electron, the excited-state dynamics of solvated molecular anions, and charge-transfer dynamics to...
Atomic and electronic structure of exfoliated black phosphorus
International Nuclear Information System (INIS)
Black phosphorus, a layered two-dimensional crystal with tunable electronic properties and high hole mobility, is quickly emerging as a promising candidate for future electronic and photonic devices. Although theoretical studies using ab initio calculations have tried to predict its atomic and electronic structure, uncertainty in its fundamental properties due to a lack of clear experimental evidence continues to stymie our full understanding and application of this novel material. In this work, aberration-corrected scanning transmission electron microscopy and ab initio calculations are used to study the crystal structure of few-layer black phosphorus. Directly interpretable annular dark-field images provide a three-dimensional atomic-resolution view of this layered material in which its stacking order and all three lattice parameters can be unambiguously identified. In addition, electron energy-loss spectroscopy (EELS) is used to measure the conduction band density of states of black phosphorus, which agrees well with the results of density functional theory calculations performed for the experimentally determined crystal. Furthermore, experimental EELS measurements of interband transitions and surface plasmon excitations are also consistent with simulated results. Finally, the effects of oxidation on both the atomic and electronic structure of black phosphorus are analyzed to explain observed device degradation. The transformation of black phosphorus into amorphous PO3 or H3PO3 during oxidation may ultimately be responsible for the degradation of devices exposed to atmosphere over time
Atomic and electronic structure of exfoliated black phosphorus
Energy Technology Data Exchange (ETDEWEB)
Wu, Ryan J.; Topsakal, Mehmet; Jeong, Jong Seok; Wentzcovitch, Renata M.; Mkhoyan, K. Andre, E-mail: mkhoyan@umn.edu [Department of Chemical Engineering and Materials Science, University of Minnesota, Minneapolis, Minnesota 55455 (United States); Low, Tony; Robbins, Matthew C.; Haratipour, Nazila; Koester, Steven J. [Department of Electrical and Computer Engineering, University of Minnesota, Minneapolis, Minnesota 55455 (United States)
2015-11-15
Black phosphorus, a layered two-dimensional crystal with tunable electronic properties and high hole mobility, is quickly emerging as a promising candidate for future electronic and photonic devices. Although theoretical studies using ab initio calculations have tried to predict its atomic and electronic structure, uncertainty in its fundamental properties due to a lack of clear experimental evidence continues to stymie our full understanding and application of this novel material. In this work, aberration-corrected scanning transmission electron microscopy and ab initio calculations are used to study the crystal structure of few-layer black phosphorus. Directly interpretable annular dark-field images provide a three-dimensional atomic-resolution view of this layered material in which its stacking order and all three lattice parameters can be unambiguously identified. In addition, electron energy-loss spectroscopy (EELS) is used to measure the conduction band density of states of black phosphorus, which agrees well with the results of density functional theory calculations performed for the experimentally determined crystal. Furthermore, experimental EELS measurements of interband transitions and surface plasmon excitations are also consistent with simulated results. Finally, the effects of oxidation on both the atomic and electronic structure of black phosphorus are analyzed to explain observed device degradation. The transformation of black phosphorus into amorphous PO{sub 3} or H{sub 3}PO{sub 3} during oxidation may ultimately be responsible for the degradation of devices exposed to atmosphere over time.
Interference effect in the relativistic inner shell ionization of atoms by electron impact
International Nuclear Information System (INIS)
We present in this paper, the results of our calculation of right-left asymmetry in the relativistic (e, 2e) processes for inner K-shell ionization of atoms. The calculation has been performed in plane wave Born approximation (PWBA) using one photon exchange approximation. The triple differential cross section (TDCS), in plane wave Born approximation (PWBA) can be factorized into products of electron kinematic factors and atomic structure functions [Donnely (1984)]. The right left asymmetry in the relativistic (e, 2e) process on the K-shell of the atoms has been shown to depend on the interference between the transition charge and component of the transition current in the scattering plane. Further, we discuss the dependence of right-left asymmetry on the incident electron energy, atomic number of the target and scattering angle. (author)
Contacting nanowires and nanotubes with atomic precision for electronic transport
Qin, Shengyong
2012-01-01
Making contacts to nanostructures with atomic precision is an important process in the bottom-up fabrication and characterization of electronic nanodevices. Existing contacting techniques use top-down lithography and chemical etching, but lack atomic precision and introduce the possibility of contamination. Here, we report that a field-induced emission process can be used to make local contacts onto individual nanowires and nanotubes with atomic spatial precision. The gold nano-islands are deposited onto nanostructures precisely by using a scanning tunneling microscope tip, which provides a clean and controllable method to ensure both electrically conductive and mechanically reliable contacts. To demonstrate the wide applicability of the technique, nano-contacts are fabricated on silicide atomic wires, carbon nanotubes, and copper nanowires. The electrical transport measurements are performed in situ by utilizing the nanocontacts to bridge the nanostructures to the transport probes. © 2012 American Institute of Physics.
Properties of the scattering amplitude for electron-atom collisions
International Nuclear Information System (INIS)
For the scattering of an electron by an atom finiteness of the amplitude at non threshold energies is proved in the framework of the N-body Schroedinger equation. It is also shown that both the direct and exchange amplitudes have analytic continuations for complex values of incident momentum, with pole or cut singularities on the imaginary axis
State selective electron capture by highly stripped ions from atoms
International Nuclear Information System (INIS)
An experimental study on final-state distribution in one-electron capture from slow fully-stripped and hydrogen-like projectile ions from H and He atoms is discussed. After a short review of the available results, state-selectiveness of the process is interpreted using the Landau-Zener model
Frolov, Alexei M
2015-01-01
Ionization of light atoms and ions during nuclear $\\beta^{-}$-decay is considered. We determine the velocity/momentum spectrum of secondary electrons emitted during nuclear $\\beta^{-}$-decay in one-electron tritium atom. The same method can be applied to describe velocity/momentum distributions of secondary electrons emitted from $\\beta^{-}$-decaying few-electron atoms and molecules.
Sub-Poissonian atom number fluctuations using light-assisted collisions
Sortais, Y R P; Bourgain, R; Browaeys, A
2011-01-01
We investigate experimentally the number statistics of a mesoscopic ensemble of cold atoms in a microscopic dipole trap, and find that the atom number fluctuations are reduced with respect to a Poisson distribution due to light-assisted two-body collisions. For numbers of atoms larger than 2, we measure a reduction factor (Fano factor) close to 0.75. We analyze this fact by a general stochastic model describing the competition between the loading of the trap from a reservoir of cold atoms and multi-body losses, which leads to a master equation. The model indicates that we have reached the ultimate level of reduction in number fluctuations achievable in our experimental regime.
Multiple electron capture in close ion-atom collisions
International Nuclear Information System (INIS)
Multiple electron capture is reported for Ca17+ in Ar. Close collisions are defined by the observation of a coincident Ca K or Ar K x-ray. A large number of electrons is transferred to the projectile in a single close collision when the Ca ion projectile is of the order of the Ar L-shell electron velocity. The cross section for electron capture is reported
δ-electron spectroscopy and the atomic clock effect in heavy-ion collisions
International Nuclear Information System (INIS)
The properties of strongly bound electrons in superheavy quasimolecular systems with combined nuclear charge numbers Z = ZP + ZT ≥ 110 are investigated. The emission of δ-electrons may serve as an atomic clock for nuclear reactions which is associated with the large overlap of the electron probability density with the nuclear interior. Excitation and emission rates of inner-shell electrons in collisions of very heavy ions with beam energies at or above the nuclear Coulomb barrier depend explicitly on details of the nuclear dynamics. Theoretical and experimental results are reviewed. (orig.)
Observing the motion of electrons in atoms and molecules
International Nuclear Information System (INIS)
The dynamic electronic structure of atoms and molecules can be directly observed by means of the (e,2e) reaction, which measures the distribution of energies and momenta of two electrons in coincidence after a knockout reaction initiated by an electron beam of known momentum incident on a molecular gas target. The molecular state for each event is identified by the electron separation energy. The recoil momentum for each event is known from the difference of measured initial and final momenta. It has been verified that values of this momentum are equal under suitable conditions to the momentum of the electron in the target immediately before knockout. Thus the spherically-averaged electron momentum distribution for each molecular orbital is measured. This is directly related to molecular orbitals calculated by the methods of quantum chemistry. Properties of different types of molecules obtained by this method are discussed
Methods for polarized electron production during atom photoionization
International Nuclear Information System (INIS)
The comparison of polarized electron production methods available is carried out. The polarized electron production during ionization of atoms with a single outermost electron by circular polarization light is considered in detail. Polarized electrons is produced in the following cases: 1) near the Cooper minimum in the p→d transitions; 2) in the range of autoionizing states with total moment J=1/2 for which the only decay channel is the np→epsilonS transition; 3) during two-photon ionization when the first photon excites the descrete n'Ssub(1/2)-state. The second method possesses the maximal electron quantum yield, but the necessity of usage the power monochromatic source is the disadvantage. In the third case the laser application is possible. The parameters of the tallium electron source employing the effects described are given
Tracing and controlling electronic dynamics in atoms and molecules by attosecond pulses
International Nuclear Information System (INIS)
In this review, we will focus on the theoretical aspects in observing and controlling the electronic dynamics in few-electron atoms and molecules by attosecond pulses in different circumstances. In particular, we will first review the main theoretical methods and concepts in strong field and attosecond physics, and then discuss a number of topics including generation of xuv light sources, the probe and steering of the electron motion in the combination of xuv and IR pulses, the photoionization time delay, the electron–electron correlation dynamics in multiple-electron atoms and molecules, etc. Although the present review mainly concentrates on the theoretical aspects, in each section we will also give a brief account of the related experimental implications and implementations for those which have been demonstrated so far or which will be experimentally feasible in the near future
Tracing and controlling electronic dynamics in atoms and molecules by attosecond pulses
Energy Technology Data Exchange (ETDEWEB)
Peng, Liang-You, E-mail: liangyou.peng@pku.edu.cn [State Key Laboratory for Mesoscopic Physics and Department of Physics, Peking University, Beijing 100871 (China); Collaborative Innovation Center of Quantum Matter, Beijing 100871 (China); Jiang, Wei-Chao; Geng, Ji-Wei; Xiong, Wei-Hao [State Key Laboratory for Mesoscopic Physics and Department of Physics, Peking University, Beijing 100871 (China); Gong, Qihuang, E-mail: qhgong@pku.edu.cn [State Key Laboratory for Mesoscopic Physics and Department of Physics, Peking University, Beijing 100871 (China); Collaborative Innovation Center of Quantum Matter, Beijing 100871 (China)
2015-04-18
In this review, we will focus on the theoretical aspects in observing and controlling the electronic dynamics in few-electron atoms and molecules by attosecond pulses in different circumstances. In particular, we will first review the main theoretical methods and concepts in strong field and attosecond physics, and then discuss a number of topics including generation of xuv light sources, the probe and steering of the electron motion in the combination of xuv and IR pulses, the photoionization time delay, the electron–electron correlation dynamics in multiple-electron atoms and molecules, etc. Although the present review mainly concentrates on the theoretical aspects, in each section we will also give a brief account of the related experimental implications and implementations for those which have been demonstrated so far or which will be experimentally feasible in the near future.
International Nuclear Information System (INIS)
The photon mass attenuation coefficient of a newly prepared 15Al2O3-35P2O5- xCaO-(50-x)Na2CO3 glass system (symbolized as APCN), where x=5, 10, 15, 20, 25, 30, 35, 40 all in mol%, have been calculated at photon energies of 0.662 MeV (137Cs source) and 1.25 MeV (60Co source). In addition, the photon mass attenuation coefficient of 15Al2O3-35P2O5-25CaO-25Na2CO3 glass system (symbolized as APCN25-25), all in mol%, doped with different concentrations of SiO2 have been calculated. The WinXCOM software program on the basis of mixture rule was utilized in calculations. The total atomic (σt) and electronic (σe) cross sections, effective atomic number (Zeff) and electron density (Nel) were calculated. The results showed that the total mass attenuation coefficient showed an extremely dependence on incoherent scattering processes where it varies with Na2CO3 contents in the APCN composition while changing the concentrations of SiO2 in APCN25-25 glass showed slight changes in the values. Otherwise, the mass attenuation coefficient (µm) had higher values at 0.662 MeV than those of 1.25 MeV in both APCN and APCN25-25 glass systems. The values of Zeff showed a decrease with increasing Na2CO3 contents in the APCN composition. The should highly be considered in dealing with such prepared APCN glass system as a gamma ray detector, specially as thermoluminescence dosimeter.
Small angle elastic scattering of electrons by noble gas atoms
International Nuclear Information System (INIS)
In this thesis, measurements are carried out to obtain small angle elastic differential cross sections in order to check the validity of Kramers-Kronig dispersion relations for electrons scattered by noble gas atoms. First, total cross sections are obtained for argon, krypton and xenon. Next, a parallel plate electrostatic energy analyser for the simultaneous measurement of doubly differential cross section for small angle electron scattering is described. Also absolute differential cross sections are reported. Finally the forward dispersion relation for electron-helium collisions is dealt with. (Auth.)
Atomic and nuclear parameters of single electron capture decaying nuclides
International Nuclear Information System (INIS)
Atomic and nuclear parameters of the following nuclides which decay by electron capture have been calculated: 37Ar, 41Ca, 49V, 53Mn, 55Fe,59Ni, 68Ge,82Sr, 97Tc, 118Te, 131Cs, 137La, 140Nd, 157Tb, 165Er, 193pt, 194Hg, and 205Ph The evaluation rules are included in the first part of the paper. The values and the associated uncertainties of the following parameters have been tabulated: decay energy, electron capture probabilities, fluorescence yield, electron emission and X-ray emission. (Author) 27 refs
Variational methods in electron-atom scattering theory
Nesbet, Robert K
1980-01-01
The investigation of scattering phenomena is a major theme of modern physics. A scattered particle provides a dynamical probe of the target system. The practical problem of interest here is the scattering of a low energy electron by an N-electron atom. It has been difficult in this area of study to achieve theoretical results that are even qualitatively correct, yet quantitative accuracy is often needed as an adjunct to experiment. The present book describes a quantitative theoretical method, or class of methods, that has been applied effectively to this problem. Quantum mechanical theory relevant to the scattering of an electron by an N-electron atom, which may gain or lose energy in the process, is summarized in Chapter 1. The variational theory itself is presented in Chapter 2, both as currently used and in forms that may facilitate future applications. The theory of multichannel resonance and threshold effects, which provide a rich structure to observed electron-atom scattering data, is presented in Cha...
Electronically excited rubidium atom in a helium cluster or film
Leino, Markku; Viel, Alexandra; Zillich, Robert E.
2008-11-01
We present theoretical studies of helium droplets and films doped with one electronically excited rubidium atom Rb∗ (P2). Diffusion and path integral Monte Carlo approaches are used to investigate the energetics and the structure of clusters containing up to 14 helium atoms. The surface of large clusters is approximated by a helium film. The nonpair additive potential energy surface is modeled using a diatomic in molecule scheme. Calculations show that the stable structure of Rb∗Hen consists of a seven helium atom ring centered at the rubidium, surrounded by a tirelike second solvation shell. A very different structure is obtained when performing a "vertical Monte Carlo transition." In this approach, a path integral Monte Carlo equilibration starts from the stable configuration of a rubidium atom in the electronic ground state adsorbed to the helium surface after switching to the electronically excited surface. In this case, Rb∗Hen relaxes to a weakly bound metastable state in which Rb∗ sits in a shallow dimple. The interpretation of the results is consistent with the recent experimental observations [G. Auböck et al., Phys. Rev. Lett. 101, 035301 (2008)].
International Nuclear Information System (INIS)
We have measured the electron spectra following the excitation and ionization of laser-excited atoms by impact of 1.5 keV electrons: 2p excitation and 2s ionization of Na(3p3/2), 1s excitation of Li(2p3/2) and 5p ionization of Ba(6s5d 1,3D). Except for Ba the intensities of ejected electrons are directly proportional to the cross sections of Auger and autoionizing states. Theoretical excitation cross sections (Na 2p, Li 1s) are obtained in first Born approximation including the full relaxation of the atomic electrons. Relative ionization cross sections (Na 2s, Ba 5p) are evaluated in sudden approximation as a two-step process: pure 2s(5p) ionization plus relaxation of the rest of the atomic electrons. The experimental spectra are compared to theoretical spectra
Power spectrum of electron number density perturbations at cosmological recombination epoch
Venhlovska, B
2008-01-01
The power spectrum of number density perturbations of free electrons is obtained for the epoch of cosmological recombination of hydrogen. It is shown that amplitude of the electron perturbations power spectrum of scales larger than acoustic horizon exceeds by factor of 17 the amplitude of baryon matter density ones (atoms and ions of hydrogen and helium). In the range of the first and second acoustic peaks such relation is 18, in the range of the third one 16. The dependence of such relations on cosmological parameters is analysed too.
Double-atom excitation in heavy-particle collisions induced by the electron-electron interaction
International Nuclear Information System (INIS)
We present an analytical method for rapid calculation of matrix elements for double-atom excitation induced by the electron-electron interaction. The method is applied to calculation of probabilities and cross sections for double-atom n = 2 excitation in H(1s)-H(1s) and various A(Zp-1)+(1s)-H(1s) collisions at intermediate and high projectile energies. Based on first-order perturbation theory an empirical scaling rule for the double-atom excitation cross sections is derived. The calculated cross sections are shown to be in good agreement with this scaling relation. (author)
Electron density of KNiF3: analysis of the atomic interactions
Tsirelson; Ivanov; Zhurova; Zhurov; Tanaka
2000-04-01
The topological analysis of the electron density in the perovskite KNiF3, potassium nickel trifluoride, based on the accurate X-ray diffraction data, has been performed. The topological picture of the atomic interactions differs from that resulting from the classic crystal chemistry consideration. The shapes of atoms in KNiF3 defined by zero-flux surfaces in the electron density are, in general, far from spherical. At the same time, their asphericity in the close-packed layer is very small. The topological coordination numbers of K and Ni are the same as the geometrical ones, whereas topological coordination for the F atom (6) differs from the geometrical value. The latter results from a specific shape of the Ni-atom basin preventing the bond-path formation between F atoms in the same atomic close-packed layer, in spite of the fact that the closest F-F distance is the same as K-F. Judging by the electron density value and curvature at the bond critical points, the K-F interaction in KNiF3 can be considered ionic, while the Ni-F bond belongs to the polar covalent type. No correlation of the topological ionic radii with crystal or ionic radii was found in KNiF3. Critical points in the electrostatic potential have also been studied. PMID:10794272
International Nuclear Information System (INIS)
Quantum numbers are introduced of the individual electrons of a multi-electron atom as are the concepts of electron configuration and configuration state diagram. An atom is described in Russell-Saunders approximation using the vector model concept. Overall quantum numbers are introduced for the electron shell and their relationships are discussed to the quantum numbers of the individual shell electrons. (author)
A discrete variable representation for electron-hydrogen atom scattering
Energy Technology Data Exchange (ETDEWEB)
Gaucher, L.F.
1994-08-01
A discrete variable representation (DVR) suitable for treating the quantum scattering of a low energy electron from a hydrogen atom is presented. The benefits of DVR techniques (e.g. the removal of the requirement of calculating multidimensional potential energy matrix elements and the availability of iterative sparse matrix diagonalization/inversion algorithms) have for many years been applied successfully to studies of quantum molecular scattering. Unfortunately, the presence of a Coulomb singularity at the electrically unshielded center of a hydrogen atom requires high radial grid point densities in this region of the scattering coordinate, while the presence of finite kinetic energy in the asymptotic scattering electron also requires a sufficiently large radial grid point density at moderate distances from the nucleus. The constraints imposed by these two length scales have made application of current DVR methods to this scattering event difficult.
A discrete variable representation for electron-hydrogen atom scattering
International Nuclear Information System (INIS)
A discrete variable representation (DVR) suitable for treating the quantum scattering of a low energy electron from a hydrogen atom is presented. The benefits of DVR techniques (e.g. the removal of the requirement of calculating multidimensional potential energy matrix elements and the availability of iterative sparse matrix diagonalization/inversion algorithms) have for many years been applied successfully to studies of quantum molecular scattering. Unfortunately, the presence of a Coulomb singularity at the electrically unshielded center of a hydrogen atom requires high radial grid point densities in this region of the scattering coordinate, while the presence of finite kinetic energy in the asymptotic scattering electron also requires a sufficiently large radial grid point density at moderate distances from the nucleus. The constraints imposed by these two length scales have made application of current DVR methods to this scattering event difficult
Parity Violation in Atoms and Polarized Electron Scattering
Bouchiat, Marie-Anne; PAVI'97
1999-01-01
This work is an extensive review of the advances in the field of parity violation experiments in electron scattering at high energy and and in atomic physics. The results are a challenge to the standard electroweak theory and the understanding of hadron structure. The theoretical framework is presented at a pedagogical level, experiments and future projects are reviewed, and the results and their interpretation are discussed.
Single and multiple ionization of atoms by electron impact
International Nuclear Information System (INIS)
We report progress achieved during decades on direct single and multiple ionization of simple atoms by electron collision. In particular we investigate total cross sections from threshold to high energies. We show that all experimental data compare favorably with Wannier threshold theory. A better understanding of the ionization process one gets from the analysis of multiply differential cross sections. To this end we discuss (e, 2e) and (e, 3e) events. (author)
Electron capture by ions in a Rydberg atom target
International Nuclear Information System (INIS)
Electron capture by a singly charged ion in a state-selected target of highly excited Rydberg atoms populates a wide but definite range of Rydberg states on the projectile. Crossed-beam experiments with ions at energies around 1 keV and laser-excited Na Rydberg states n=24 to 34 have investigated the electron-capture reaction with comparable projectile and electronic velocities. The variations of final-state n distributions with respect to initial n and projectile velocity exhibit consistent patterns and challenge theorists to address the Rydberg electron-capture problem at intermediate velocity in new ways. The importance of collisional l mixing in state-selected Rydberg targets and the complexities of field ionization are particularly stressed as limitations on fully resolved state-to-state experiments
Free-free radiative transitions of electron-atom systems
International Nuclear Information System (INIS)
This thesis reports experimental investigations of Free-Free (FF) transitions, which are observable in electron-atom interaction in intense radiation fields of lasers. The theory of induced FF transitions is described for moderate and intense laser power densities. Experiments are discussed that show it is possible to do spectroscopy on resonances with the FF adsorption method. Resonant FF absorption processes are discussed between the (Ne+)3s2(1S) resonances and the resonances around 18.6 eV. The high energy resolution enabled the fine-structure of the upper resonances to be resolved. An electron backscattering spectrometer for multiphoton FF transitions is described. (Auth.)
Electronic excitations in atomic clusters: beyond dipole plasmon
Nesterenko, V O; Reinhard, P G
2005-01-01
Multipole electron modes beyond the Mie plasmon in atomic clusters are investigated within the time-dependent local density approximation theory (TDLDA). We consider the origin of the modes, their connection with basic cluster properties and possible routes of experimental observation. Particular attention is paid to infrared magnetic orbital modes, scissors and twist, and electric quadrupole mode. The scissors and twist modes determine orbital magnetism of clusters while the electric quadrupole mode provides direct access to the single electron spectra of the cluster. We examine two-photon processes (Raman scattering, stimulated emission pumping and stimulated adiabatic Raman passage) as the most promising tools for experimental investigation of the modes.
Low-energy scattering of electrons by atomic oxygen
International Nuclear Information System (INIS)
The method of polarized pseudostates has been used to calculate cross sections for the elastic scattering of electrons by atomic oxygen. These pseudostates are added to the close-coupling expansion to give a polarization potential in agreement with experimental values of polarizability. The resulting elastic cross sections are in good agreement with other theoretical calculations as well as with experiment for energies up to 10 eV. The reactance matrices obtained in this calculation have been used to calculate collision strengths for fine-structure transitions in the ground-state 3P term for electron temperatures above 5000 degree K
Spatial aspects of electron energy degradation in atomic oxygen
Singhal, R. P.; Green, A. E. S.
1981-01-01
Spatial (radial and longitudinal) yield spectra for electron energy degradation in atomic oxygen have been obtained using a Monte Carlo method for 25 eV to 10 keV incident electrons. Four-dimensional yield spectra have been analytically represented in terms of a model containing three simple microplumes. We find that the scaled spatial yield spectra for O is approximately the same as for N2. This feature provides a basis for inferring yield spectra for any atmosphere gas or mixture of gases.
Glauber exchange amplitudes. [electron scattering from H atoms
Madan, R. N.
1975-01-01
The extrapolation method of Ochkur, valid for intermediate energies (about 50 eV), is applied to the exchange form of the Glauber amplitudes. In the case of elastic scattering of electrons from hydrogen atoms at 54.4 Ev the 'post' and 'prior' forms of the exchange amplitude are equivalent, whereas for the case of inelastic scattering there is a minute discrepancy between the two forms of the amplitude. The results are compared with the close-coupling calculation. The investigation is expected to be useful for optically forbidden exchange-allowed transitions due to electron impact at intermediate energies.
Two measured completely different electron affinities for atomic Eu?
Msezane, A. Z.; Felfli, Z.
2016-05-01
Recently, the electron affinity (EA) of atomic Eu was measured to be 0.116?eV. This value is in outstanding agreement with the theoretically calculated values using the Regge pole and MCDF-RCI methods. Previously, the EA of Eu was measured to be 1.053 eV. In an attempt to resolve the discrepancy between the two measured values, we have adopted the complex angular momentum (CAM) method and investigated in the electron energy range 0.11 eV methane to methanol without CO2 emission. These new results call for immediate experimental and theoretical verification.
Measurement of effective atomic number of gunshot residues using scattering of gamma rays
International Nuclear Information System (INIS)
Better understanding of gunshot residues and the major elemental composition would be valuable to forensic scientists for their analysis work and interpretation of results. In the present work, the effective atomic numbers of gunshot residues (cartridge case, bullet core, bullet jacket and gunpowder) were analyzed using energy dispersive X-ray analysis (EDX). The scattering of 59.54 keV gamma rays is studied using a high-resolution HPGe detector. The experiment is performed on various elements with atomic number in the 4≤Z≤82. The intensity ratio of coherent to Compton scattered peaks, corrected for photo-peak efficiency of gamma detector and absorption of photons in the sample and air, is plotted as a function of atomic number and constituted a best-fit-curve. From this fit-curve, the respective effective atomic numbers of gunshot residues are determined. - Highlights: • Values of Zeff depend on the chemical content of the investigated gunshot residues. • The agreement of measured values of effective atomic numbers with theoretical calculations is quite satisfactory. • The present calculations of Zeff have thrown new light on forensic science
Electron Stark Broadening Database for Atomic N, O, and C Lines
Liu, Yen; Yao, Winifred M.; Wray, Alan A.; Carbon, Duane F.
2012-01-01
A database for efficiently computing the electron Stark broadening line widths for atomic N, O, and C lines is constructed. The line width is expressed in terms of the electron number density and electronatom scattering cross sections based on the Baranger impact theory. The state-to-state cross sections are computed using the semiclassical approximation, in which the atom is treated quantum mechanically whereas the motion of the free electron follows a classical trajectory. These state-to-state cross sections are calculated based on newly compiled line lists. Each atomic line list consists of a careful merger of NIST, Vanderbilt, and TOPbase line datasets from wavelength 50 nm to 50 micrometers covering the VUV to IR spectral regions. There are over 10,000 lines in each atomic line list. The widths for each line are computed at 13 electron temperatures between 1,000 K 50,000 K. A linear least squares method using a four-term fractional power series is then employed to obtain an analytical fit for each line-width variation as a function of the electron temperature. The maximum L2 error of the analytic fits for all lines in our line lists is about 5%.
Institute of Scientific and Technical Information of China (English)
郑仕标
2003-01-01
We propose a quantum nondemolition measurement of the photon-number distribution for a weak cavity field with no more than two photons. The scheme is based on the resonant interaction of atoms with the cavity field, and thus the required interaction time is much shorter than that using dispersive interaction. This is important in view of decoherence. Our scheme can also be used to generate even and odd coherent states for a weak cavity field with resonant atoms.
Subshell momentum splitting and double-zeta description of many-electron atoms
International Nuclear Information System (INIS)
When two subshell electrons are considered simultaneously in many-electron atoms, the average subshell momentum (p)nl splits into two different momenta, low momentum (p)nl and high momentum (p>)nl, where n and l are the principal and azimuthal quantum numbers. For the 102 atoms He through Lr in their ground states, the momenta (p)nl and (p>)nl, as well as the momentum separation (|p1 - p2|)nl, are systematically examined at the Hartree-Fock limit level. For a subshell nl, two exponents ζnl(est) and ζnl>(est) estimated from the low and high momenta have good linear correlations with variationally determined exponents ζnl(var) and ζnl>(var) used in the double-zeta description of atoms with Slater-type basis functions
Computer simulation of electronic excitation in atomic collision cascades
International Nuclear Information System (INIS)
The impact of an keV atomic particle onto a solid surface initiates a complex sequence of collisions among target atoms in a near-surface region. The temporal and spatial evolution of this atomic collision cascade leads to the emission of particles from the surface - a process usually called sputtering. In modern surface analysis the so called SIMS technology uses the flux of sputtered particles as a source of information on the microscopical stoichiometric structure in the proximity of the bombarded surface spots. By laterally varying the bombarding spot on the surface, the entire target can be scanned and chemically analyzed. However, the particle detection, which bases upon deflection in electric fields, is limited to those species that leave the surface in an ionized state. Due to the fact that the ionized fraction of the total flux of sputtered atoms often only amounts to a few percent or even less, the detection is often hampered by rather low signals. Moreover, it is well known, that the ionization probability of emitted particles does not only depend on the elementary species, but also on the local environment from which a particle leaves the surface. Therefore, the measured signals for different sputtered species do not necessarily represent the stoichiometric composition of the sample. In the literature, this phenomenon is known as the Matrix Effect in SIMS. In order to circumvent this principal shortcoming of SIMS, the present thesis develops an alternative computer simulation concept, which treats the electronic energy losses of all moving atoms as excitation sources feeding energy into the electronic sub-system of the solid. The particle kinetics determining the excitation sources are delivered by classical molecular dynamics. The excitation energy calculations are combined with a diffusive transport model to describe the spread of excitation energy from the initial point of generation. Calculation results yield a space- and time-resolved excitation
Computer simulation of electronic excitation in atomic collision cascades
Energy Technology Data Exchange (ETDEWEB)
Duvenbeck, A.
2007-04-05
The impact of an keV atomic particle onto a solid surface initiates a complex sequence of collisions among target atoms in a near-surface region. The temporal and spatial evolution of this atomic collision cascade leads to the emission of particles from the surface - a process usually called sputtering. In modern surface analysis the so called SIMS technology uses the flux of sputtered particles as a source of information on the microscopical stoichiometric structure in the proximity of the bombarded surface spots. By laterally varying the bombarding spot on the surface, the entire target can be scanned and chemically analyzed. However, the particle detection, which bases upon deflection in electric fields, is limited to those species that leave the surface in an ionized state. Due to the fact that the ionized fraction of the total flux of sputtered atoms often only amounts to a few percent or even less, the detection is often hampered by rather low signals. Moreover, it is well known, that the ionization probability of emitted particles does not only depend on the elementary species, but also on the local environment from which a particle leaves the surface. Therefore, the measured signals for different sputtered species do not necessarily represent the stoichiometric composition of the sample. In the literature, this phenomenon is known as the Matrix Effect in SIMS. In order to circumvent this principal shortcoming of SIMS, the present thesis develops an alternative computer simulation concept, which treats the electronic energy losses of all moving atoms as excitation sources feeding energy into the electronic sub-system of the solid. The particle kinetics determining the excitation sources are delivered by classical molecular dynamics. The excitation energy calculations are combined with a diffusive transport model to describe the spread of excitation energy from the initial point of generation. Calculation results yield a space- and time-resolved excitation
Towards weighing individual atoms by high-angle scattering of electrons
Argentero, G; Kotakoski, J; Eder, F R; Meyer, J C
2015-01-01
We consider theoretically the energy loss of electrons scattered to high angles when assuming that the primary beam can be limited to a single atom. We discuss the possibility of identifying the isotopes of light elements and of extracting information about phonons in this signal. The energy loss is related to the mass of the much heavier nucleus, and is spread out due to atomic vibrations. Importantly, while the width of the broadening is much larger than the energy separation of isotopes, only the shift in the peak positions must be detected if the beam is limited to a single atom. We conclude that the experimental case will be challenging but is not excluded by the physical principles as far as considered here. Moreover, the initial experiments demonstrate the separation of gold and carbon based on a signal that is related to their mass, rather than their atomic number.
Femtosecond electron diffraction. Next generation electron sources for atomically resolved dynamics
International Nuclear Information System (INIS)
Three instruments for femtosecond electron diffraction (FED) experiments were erected, partially commissioned and used for first diffraction experiments. The Relativistic Electron Gun for Atomic Exploration (REGAE) was completed by beamline elements including supports, a specimen chamber and dark current or electron beam collimating elements such that the commissioning process, including first diffraction experiments in this context, could be started. The temporal resolution of this machine is simulated to be 25 fs (fwhm) short, while a transverse coherence length of 30 nm (fwhm) is feasible to resolve proteins on this scale. Whether this machine is capable of meeting these predictions or whether the dynamics of the electron beam will stay limited by accelerator components, is not finally determined by the end of this work, because commissioning and improvement of accelerator components is ongoing. Simultaneously, a compact DC electron diffraction apparatus, the E-Gun 300, designed for solid and liquid specimens and a target electron energy of 300 keV, was built. Fundamental design issues of the high potential carrying and beam generating components occurred and are limiting the maximum potential and electron energy to 120 keV. Furthermore, this is limiting the range of possible applications and consequently the design and construction of a brand new instrument began. The Femtosecond Electron Diffraction CAmera for Molecular Movies (FED-CAMM) bridges the performance problems of very high electric potentials and provides optimal operational conditions for all applied electron energies up to 300 keV. The variability of gap spacings and optimized manufacturing of the high voltage electrodes lead to the best possible electron pulse durations obtainable with a compact DC setup, that does not comprise of rf-structures. This third apparatus possesses pulse durations just a few tenth femtoseconds apart from the design limit of the highly relativistic REGAE and combines the
Femtosecond electron diffraction. Next generation electron sources for atomically resolved dynamics
Energy Technology Data Exchange (ETDEWEB)
Hirscht, Julian
2015-08-15
Three instruments for femtosecond electron diffraction (FED) experiments were erected, partially commissioned and used for first diffraction experiments. The Relativistic Electron Gun for Atomic Exploration (REGAE) was completed by beamline elements including supports, a specimen chamber and dark current or electron beam collimating elements such that the commissioning process, including first diffraction experiments in this context, could be started. The temporal resolution of this machine is simulated to be 25 fs (fwhm) short, while a transverse coherence length of 30 nm (fwhm) is feasible to resolve proteins on this scale. Whether this machine is capable of meeting these predictions or whether the dynamics of the electron beam will stay limited by accelerator components, is not finally determined by the end of this work, because commissioning and improvement of accelerator components is ongoing. Simultaneously, a compact DC electron diffraction apparatus, the E-Gun 300, designed for solid and liquid specimens and a target electron energy of 300 keV, was built. Fundamental design issues of the high potential carrying and beam generating components occurred and are limiting the maximum potential and electron energy to 120 keV. Furthermore, this is limiting the range of possible applications and consequently the design and construction of a brand new instrument began. The Femtosecond Electron Diffraction CAmera for Molecular Movies (FED-CAMM) bridges the performance problems of very high electric potentials and provides optimal operational conditions for all applied electron energies up to 300 keV. The variability of gap spacings and optimized manufacturing of the high voltage electrodes lead to the best possible electron pulse durations obtainable with a compact DC setup, that does not comprise of rf-structures. This third apparatus possesses pulse durations just a few tenth femtoseconds apart from the design limit of the highly relativistic REGAE and combines the
Temperature and number evolution of cold cesium atoms inside a wall-coated glass cell
Institute of Scientific and Technical Information of China (English)
黄家强; 张建伟; 王时光; 王力军
2015-01-01
We report an experimental study on the temperature and number evolution of cold cesium atoms diffusively cooled inside a wall-coated glass cell by measuring the absorption profile of the 62S1/2 (F=4)→62P3/2(F0=5) transition line with a weak probe laser in the evolution process. We found that the temperature of the cold atoms first gradually decreases from 16 mK to 9 mK, and then rapidly increases. The number of cold atoms first declines slowly from 2.1 × 109 to 3.7 × 108 and then falls drastically. A theoretical model for the number evolution is built and includes the instantaneous temperature of the cold atoms and a fraction p, which represents the part of cold cesium atoms elastically reflected by the coated cell wall. The theory is overall in good agreement with the experimental result, and a nonzero value is obtained for the fraction p, which indicates that the cold cesium atoms are not all heated to the ambient temperature by a single collision with the coated cell wall. These results can provide helpful insight for precision measurements based on diffuse laser cooling.
International Nuclear Information System (INIS)
Effective atomic numbers for total gamma-ray interaction with some selected thermoluminescent dosimetric compounds such as barium acetate, barium sulfate, calcium carbonate, calcium sulfate, calcium sulfate dihydrate, cadmium sulfate (anhydrous), cadmium sulfate, strontium sulfate, and lithium fluoride have been calculated in the 1-keV to 20-MeV energy region. Experimental mass attenuation coefficients and effective atomic numbers for these compounds at selected photon energies of 26.3, 33.2, 59.54, and 661.6 keV have been obtained from good geometry transmission measurements and compared with theoretical values. The effect of absorption edge on effective atomic numbers and its variation with energy, and nonvalidity of the Bragg's mixture rule at incident photon energies closer to the absorption edges of constituent elements of compounds are discussed
International Nuclear Information System (INIS)
Amovilli and March (2006) [8] used diffusion quantum Monte Carlo techniques to calculate the non-relativistic ionization potential I(Z) in He-like atomic ions for the range of (fractional) nuclear charges Z lying between the known critical value Zc=0.911 at which I(Z) tends to zero and Z=2. They showed that it is possible to fit I(Z) to a simple quadratic expression. Following that idea, we present here a semiempirical fine-tuning of Hartree–Fock ionization potentials for the isoelectronic series of He, Be, Ne, Mg and Ar-like atomic ions that leads to excellent estimations of Zc for these series. The empirical information involved is experimental ionization and electron affinity data. It is clearly demonstrated that Hartree–Fock theory provides an excellent starting point for determining I(Z) for these series
Atomic Physics with Accelerators: Projectile Electron Spectroscopy (APAPES)
International Nuclear Information System (INIS)
The new research initiative APAPES (http://apapes.physics.uoc.gr/) has already established a new experimental station with a beam line dedicated for atomic collisions physics research, at the 5 MV TANDEM accelerator of the National Research Centre ''Demokritos'' in Athens, Greece. A complete zero-degree Auger projectile spectroscopy (ZAPS) apparatus has been put together to perform high resolution studies of electrons emitted in ion-atom collisions. A single stage hemispherical spectrometer with a 2-dimensional Position Sensitive Detector (PSD) combined with a doubly-differentially pumped gas target will be used to perform a systematic isoelectronic investigation of K-Auger spectra emitted from collisions of preexcited and ground state He-like ions with gas targets using novel techniques. Our intention is to provide a more thorough understanding of cascade feeding of the 1s2s2p 4P metastable states produced by electron capture in collisions of He-like ions with gas targets and further elucidate their role in the non-statistical production of excited three-electron 1s2s2p states by electron capture, recently a field of conflicting interpretations awaiting further resolution. At the moment, the apparatus is being completed and the spectrometer will soon be fully operational. Here we present the project progress and the recent high resolution spectrum obtained in collisions of 12 MeV C4+ on a Neon gas target
Spin-dependent electron-atom scattering - a detailed test of atomic collision theory
International Nuclear Information System (INIS)
In recent years, much progress has been made in the experimental and theoretical studies of atomic collision processes. The use of polarized collision partners has enabled experimentalists to perform very detailed tests of theoretical models, particularly with regard to the description of spin-dependent effects such as electron exchange or the spin-orbit interactions. Besides the development of the general theoretical formulation of spin-dependent electron-atom collisions - predominantly in terms of the density matrix formalism - much progress has also been made in the numerical treatment of such processes. In particular, the non-perturbative R-matrix (close-coupling) method and the open-quotes Distorted Wave Born Approximationclose quotes (DWBA), based on the Born series expansion of the T-operator have been applied very successfully. The presentation will begin with an outline of the density matrix formalism and its use to describe several, apparently different, atomic collision processes in a common framework. Next, the origin of spin-dependence in these collisions will be investigated, with particular emphasis on the so-called open-quotes fine-structure effectclose quotes where explicitly spin-dependent terms in the projectile-target interaction (such as the spin-orbit interaction) are assumed to be negligible during the collision process. Selected results for elastic and inelastic (including ionization) electron scattering from various targets will be presented and compared with recent experimental data
International Nuclear Information System (INIS)
Effective atomic numbers for photon energy absorption (ZPEAeff) and effective atomic numbers for photon interaction (ZPIeff) of some low-Z substances of dosimetric interest such as A-150 tissue-equivalent plastic (A150TEP), alanine, bakelite, Gafchromic sensor (GS), plastic scintillator (PS), polyethylene, mylar, polystyrene, perspex, radiochromic dye film nylon base (RDF : NB), tissue-equivalent gas-methane based (TEG : MB) and tissue-equivalent gas-propane based (TEG : PB) have been calculated by a direct method in the energy region of 1 keV-20 MeV. Experimental mass attenuation coefficients and ZPIeff of some of these substances at selected photon energies of 26.34, 33.2, and 59.54 keV have been obtained and compared with theoretical values. The ZPEAeff and ZPIeff values steadily increases up to 6-15 keV, and then they steadily decrease up to 600-1500 keV for all the substances studied. From 1.5 MeV, the values increases with increase in energy up to 20 MeV. Significant differences up to 33.68% exist between ZPIeff and the ZPEAeff in the energy region of 10-150 keV. The single effective atomic numbers obtained using the program XMuDat (ZXMUDATeff ) are found to be significantly higher compared to those of ZPEAeff and ZPIeff values in the entire energy of interest for all the substances studied. The directly calculated ZPEAeff and ZPIeff values vary with energy compared to the energy-independent effective atomic numbers predicted by various theoretical expressions. The effects of absorption edges on effective atomic numbers and their variation with photon energy and the possibility of defining two set values of effective atomic numbers below the absorption edges of elements present in the composite substances are discussed
Feldman, W. C.; Phillips, J. L.; Gosling, J. T.; Isenberg, P. A.
1995-01-01
During average solar wind flow conditions at 1 AU, ionization rates of interstellar neutrals that penetrate into the inner heliosphere are dominated by charge exchange with solar wind protons for H atoms, and by photoionization for He atoms. During occurrences of strong, coronal mass ejection (CME)-driven interplanetary shock waves near 1 AU, electron impact ionization can make substantial, if not dominating, contributions to interstellar neutral ionization rates in the regions downstream of the shocks. However, electron impact ionization is expected to be relatively less important with increasing heliocentric distance because of the decrease in electron temperature. Ulysses encountered many CME-driven shocks during its journey to and beyond Jupiter, and in addition, encountered a number of strong corotating interaction region (CIR) shocks. These shocks generally occur only beyond approximately 2 AU. Many of the CIR shocks were very strong rivalling the Earth's bow shock in electron heating. We have compared electron impact ionization rates calculated from electron velocity distributions measured downstream from CIR shocks using the Ulysses SWOOPS experiment to charge-exchange rates calculated from measured proton number fluxes and the photoionization rate estimated from an assumed solar photon spectrum typical of solar maximum conditions. We find that, although normally the ratio of electron-impact ionization rates to charge-exchange (for H) and to photoionization (for He) rates amounts to only about one and a few tens of percent, respectively, downstream of some of the stronger CIR shocks they amount to more than 10% and greater than 100%, respectively.
The effective atomic numbers of some biomolecules calculated by two methods: A comparative study
DEFF Research Database (Denmark)
Manohara, S.R.; Hanagodimath, S.M.; Gerward, Leif
2009-01-01
The effective atomic numbers Z(eff) of some fatty acids and amino acids have been calculated by two numerical methods, a direct method and an interpolation method, in the energy range of 1 keV-20 MeV. The notion of Z(eff) is given a new meaning by using a modern database of photon interaction cross...... constant and equal to the mean atomic number of the material. Wherever possible, the calculated values of Z(eff) are compared with experimental data....
Dynamical decoherence in a cavity with a large number of two-level atoms
Frasca, Marco
2003-01-01
We consider a large number of two-level atoms interacting with the mode of a cavity in the rotating-wave approximation (Tavis-Cummings model). We apply the Holstein-Primakoff transformation to study the model in the limit of the number of two-level atoms, all in their ground state, becoming very large. The unitary evolution that we obtain in this approximation is applied to a macroscopic superposition state showing that, when the coherent states forming the superposition are enough distant, t...
Resonance structure in elastic scattering of electrons from atomic hydrogen
Energy Technology Data Exchange (ETDEWEB)
Warner, C.D.; King, G.C.; Hammond, P.; Slevin, J.
1986-10-28
High-energy-resolution spectra of electrons scattered elastically from atomic hydrogen have been obtained for incident electron energies of 9.2-10.4 eV and at angles of 33/sup 0/, 54/sup 0/, 70/sup 0/ and 90/sup 0/. The energy spread of the incident electron beam is estimated to be typically 25 meV FWHM. In addition to the /sup 1/S and /sup 3/P resonances which have been reported in earlier studies, a /sup 1/D resonance can be clearly seen and there is some evidence of a resonance state at a higher energy, probably corresponding to a /sup 1/S resonance state. The energies and resonance widths of all these features have been determined.
Calculation of electron scattering on atoms and ions
Energy Technology Data Exchange (ETDEWEB)
Bray, I.
1995-02-01
This paper reviews the applications of the convergent close-coupling (CCC) method to electron scattering on light atoms and ions. Particular emphasis is given to those areas where other theories have difficulty, e g. total ionization cross sections and the associated spin asymmetries. It begins with the simplest application to the Temkin-Poet model problem of electron-hydrogen scattering, which is used to validate the CCC approach. Subsequently, results are given for electron impact ionization of various initial states of the targets H(1s,2s), He(1{sup 1}S,2{sup 3.1}S), He{sup +}(1s), Li(2s), O{sup 5+}(2s) and Na(3s). 50 refs., 10 figs.
Resonance structure in elastic scattering of electrons from atomic hydrogen
International Nuclear Information System (INIS)
High-energy-resolution spectra of electrons scattered elastically from atomic hydrogen have been obtained for incident electron energies of 9.2-10.4 eV and at angles of 330, 540, 700 and 900. The energy spread of the incident electron beam is estimated to be typically 25 meV FWHM. In addition to the 1S and 3P resonances which have been reported in earlier studies, a 1D resonance can be clearly seen and there is some evidence of a resonance state at a higher energy, probably corresponding to a 1S resonance state. The energies and resonance widths of all these features have been determined. (author)
Biprism electron interferometry with a single atom tip source.
Schütz, G; Rembold, A; Pooch, A; Meier, S; Schneeweiss, P; Rauschenbeutel, A; Günther, A; Chang, W T; Hwang, I S; Stibor, A
2014-06-01
Experiments with electron or ion matter waves require a coherent, monochromatic and long-term stable source with high brightness. These requirements are best fulfilled by single atom tip (SAT) field emitters. The performance of an iridium covered W(111) SAT is demonstrated and analyzed for electrons in a biprism interferometer. Furthermore we characterize the emission of the SAT in a separate field electron and field ion microscope and compare it with other emitter types. A new method is presented to fabricate the electrostatic charged biprism wire that separates and combines the matter wave. In contrast to other biprism interferometers the source and the biprism size are well defined within a few nanometers. The setup has direct applications in ion interferometry and Aharonov-Bohm physics. PMID:24704604
Biprism Electron Interferometry with a Single Atom Tip Source
Schütz, Georg; Pooch, Andreas; Meier, Simon; Schneeweiss, Philipp; Rauschenbeutel, Arno; Günther, Andreas; Chang, Wei-Tse; Hwang, Ing-Shouh; Stibor, Alexander
2013-01-01
Experiments with electron or ion matter waves require a coherent, monochromatic and long-term stable source with high brightness. These requirements are best fulfilled by single atom tip (SAT) field emitters. The performance of an iridium covered W(111) SAT is demonstrated and analyzed for electrons in a biprism interferometer. Furthermore we characterize the emission of the SAT in a separate field electron and field ion microscope and compare it with other emitter types. A new method is presented to fabricate the electrostatic charged biprism wire that separates and combines the matter wave. In contrast to other biprism interferometers the source and the biprism size are well defined within a few nanometers. The setup has direct applications in ion interferometry and Aharonov-Bohm physics.
Calculation of electron scattering on atoms and ions
International Nuclear Information System (INIS)
This paper reviews the applications of the convergent close-coupling (CCC) method to electron scattering on light atoms and ions. Particular emphasis is given to those areas where other theories have difficulty, e g. total ionization cross sections and the associated spin asymmetries. It begins with the simplest application to the Temkin-Poet model problem of electron-hydrogen scattering, which is used to validate the CCC approach. Subsequently, results are given for electron impact ionization of various initial states of the targets H(1s,2s), He(11S,23.1S), He+(1s), Li(2s), O5+(2s) and Na(3s). 50 refs., 10 figs
Electron transfer, ionization, and excitation in atomic collisions
International Nuclear Information System (INIS)
The research being carried out at Penn State by Winter and Alston addresses the fundamental processes of electron transfer, ionization, and excitation in ion-atom (and ion-ion) collisions. The focus is on intermediate- and higher-energy collisions, corresponding to proton energies of about 25 kilo-electron-volts (keV) or larger. At intermediate energies, where the transition probabilities are not small, many states must be coupled in a large calculation, while at higher energies, perturbative approaches may be used. Several studies have been carried out in the current three-year period; most of these treat systems with only one or two electrons, so that fewer approximations need be made and the basic collisional mechanisms can be more clearly described
Effect of electron exchange on atomic ionization in a strong electric field
Amusia, M Ya
2009-01-01
Hartree-Fock atom in a strong electric static field is considered. It is demonstrated that exchange between outer and inner electrons, taken into account by the so-called Fock term affects strongly the long-range behavior of the inner electron wave function. As a result, it dramatically increases its probability to be ionized. A simple model is analyzed demonstrating that the decay probability, compared to the case of a local (Hartree) atomic potential, increases by many orders of magnitude. As a result of such increase, the ratio of inner to outer electrons ionization probability became not too small. It is essential that the effect of exchange upon probability of inner electron ionization by strong electric field is proportional to the square of the number of outer electrons. It signals that in clusters the inner electron ionization by strong field, the very fact of which is manifested by e.g. high energy quanta emission, has to be essentially increased as compared to this process in gaseous atomic objects.
Atomic precision etch using a low-electron temperature plasma
Dorf, L.; Wang, J.-C.; Rauf, S.; Zhang, Y.; Agarwal, A.; Kenney, J.; Ramaswamy, K.; Collins, K.
2016-03-01
Sub-nm precision is increasingly being required of many critical plasma etching processes in the semiconductor industry. Accurate control over ion energy and ion/radical composition is needed during plasma processing to meet these stringent requirements. Described in this work is a new plasma etch system which has been designed with the requirements of atomic precision plasma processing in mind. In this system, an electron sheet beam parallel to the substrate surface produces a plasma with an order of magnitude lower electron temperature Te (~ 0.3 eV) and ion energy Ei (control over relative ion and radical concentrations. Another important element in this plasma system is low frequency RF bias capability which allows control of ion energy in the 2-50 eV range. Presented in this work are the results of etching of a variety of materials and structures performed in this system. In addition to high selectivity and low controllable etch rate, an important requirement of atomic precision etch processes is no (or minimal) damage to the remaining material surface. It has traditionally not been possible to avoid damage in RF plasma processing systems, even during atomic layer etch. The experiments for Si etch in Cl2 based plasmas in the aforementioned etch system show that damage can be minimized if the ion energy is kept below 10 eV. Layer-by-layer etch of Si is also demonstrated in this etch system using electrical and gas pulsing.
Screening Effects on Nonrelativistic Bremsstrahlung in the Scattering of Electrons by Neutral Atoms
Jung, Young-Dae; Lee, Kun-Sang
1995-01-01
Atomic screening effects on nonrelativistic electron-atom bremsstrahlung radiation are investigated using a simple analytic solution of the Thomas-Fermi model for many-electron atoms. The Born approximation is assumed for the initial and final states of the projectile electron. The results show that the screening effect is important in the soft radiation region and is decreasing with increasing radiation. These results help provide correct information about the behavior of bound electrons in the target atom in bremsstrahlung processes.
States interpolating between number and coherent states and their interaction with atomic systems
International Nuclear Information System (INIS)
Using the eigenvalue definition of binomial states we construct new intermediate number-coherent states which reduce to number and coherent states in two different limits. We reveal the connection of these intermediate states with photon-added coherent states and investigate their non-classical properties and quasiprobability distributions in detail. It is of interest to note that these new states, which interpolate between coherent states and number states, neither of which exhibit squeezing, are nevertheless squeezed states. A scheme to produce these states is proposed. We also study the interaction of these states with atomic systems in the framework of the two-photon Jaynes-Cummings model, and describe the response of the atomic system as it varies between the pure Rabi oscillation and the collapse-revival mode and investigate field observables such as photon number distribution, entropy and the Q-function. (author)
Properties of Auger electrons following excitation of polarized atoms by polarized electrons
Energy Technology Data Exchange (ETDEWEB)
Kupliauskiene, A. [Institute of Theoretical Physics and Astronomy of Vilnius University, A. Gostauto 12, LT-01108 Vilnius (Lithuania)], E-mail: akupl@itpa.lt; Tutlys, V. [Institute of Theoretical Physics and Astronomy of Vilnius University, A. Gostauto 12, LT-01108 Vilnius (Lithuania)
2009-01-15
In non-relativistic approximation, the most general expression for differential cross sections describing the properties of Auger-electron emission induced in the excitation of polarized atoms by polarized electrons is obtained for the first time. The ways of the application of the general expressions suitable for the specific experimental conditions are outlined by deriving the expressions for the asymmetry parameters and the magnetic dichroism of the angular distribution of the Auger electrons as well as of the angular correlations between the scattered and Auger electrons.
PREPARATION OF OXALATES OF METALS OF ATOMIC NUMBER GREATER THAN 88
Duffield, R.B.
1959-02-01
A method is presented for the preparation of oxalates of metals of atomic number greater than 88. A solid peroxide of the heavy metal is contacted with an aqueous oxalic acid solution ai a temperature of about 50 C for a period of time sufficient to form the insoluble metal oxalate which is subsequentiy recovered as a pures crystalline compound.
Moreno, Luis F.; Hincapié, Gina; Alzate, María Victoria
2014-01-01
Cheminoes is a didactic game that enables the meaningful learning of some relations between concepts such as chemical element, valence, atomic number, and chemical symbol for the first 36 chemical elements of the periodic system. Among the students who have played the game, their opinions of the activity were positive, considering the game to be a…
Selected K and L X-Ray mass attenuation coefficients for low atomic number materials
International Nuclear Information System (INIS)
X-ray attenuation coefficients for low atomic mumbers elements were obtained for characteristic K and L X-ray of a number of selected elements using the fitting of a third degree polynomial to the values tabulated by Storm and Israel
Detection of atomic force microscopy cantilever displacement with a transmitted electron beam
Wagner, R.; Woehl, T. J.; Keller, R. R.; Killgore, J. P.
2016-07-01
The response time of an atomic force microscopy (AFM) cantilever can be decreased by reducing cantilever size; however, the fastest AFM cantilevers are currently nearing the smallest size that can be detected with the conventional optical lever approach. Here, we demonstrate an electron beam detection scheme for measuring AFM cantilever oscillations. The oscillating AFM tip is positioned perpendicular to and in the path of a stationary focused nanometer sized electron beam. As the tip oscillates, the thickness of the material under the electron beam changes, causing a fluctuation in the number of scattered transmitted electrons that are detected. We demonstrate detection of sub-nanometer vibration amplitudes with an electron beam, providing a pathway for dynamic AFM with cantilevers that are orders of magnitude smaller and faster than the current state of the art.
Creating large area molecular electronic junctions using atomic layer deposition
International Nuclear Information System (INIS)
We demonstrate a technique for creating large area, electrically stable molecular junctions. We use atomic layer deposition to create nanometer thick passivating layers of aluminum oxide on top of self-assembled organic monolayers with hydrophilic terminal groups. This layer acts as a protective barrier and allows simple vapor deposition of the top electrode without short circuits or molecular damage. This method allows nonshorting molecular junctions of up to 9 mm2 to be easily and reliably fabricated. The effect of passivation on molecular monolayers is studied with Auger and x-ray spectroscopy, while electronic transport measurements confirm molecular tunneling as the transport mechanism for these devices
Two-potential eikonal approximation for electron-atom collisions
International Nuclear Information System (INIS)
The Glauber approximation is known to be in appreciable error at all angles when applied to the elastic electron-atom scattering at medium and lower energies. It is shown that this is not due to the frozen-target approximation but mainly a result of the inadequate semiclassical treatment of close-encounter collisions in the Glauber approximation. A simple method is proposed to correct this inadequacy and is applied to e-H elastic scattering at energies from 20 to 100 eV. A remarkable improvement over the Glauber approximation is obtained, and the results agree with experiments very well at all angles where measurements are available
Atomic structures and electronic properties of phosphorene grain boundaries
Guo, Yu; Zhou, Si; Zhang, Junfeng; Bai, Yizhen; Zhao, Jijun
2016-06-01
Grain boundary (GB) is one main type of defects in two-dimensional (2D) crystals, and has significant impact on the physical properties of 2D materials. Phosphorene, a recently synthesized 2D semiconductor, possesses a puckered honeycomb lattice and outstanding electronic properties. It is very interesting to know the possible GBs present in this novel material, and how their properties differ from those in the other 2D materials. Based on first-principles calculations, we explore the atomic structure, thermodynamic stability, and electronic properties of phosphorene GBs. A total of 19 GBs are predicted and found to be energetically stable with formation energies much lower than those in graphene. These GBs do not severely affect the electronic properties of phosphorene: the band gap of perfect phosphorene is preserved, and the electron mobilities are only moderately reduced in these defective systems. Our theoretical results provide vital guidance for experimental tailoring the electronic properties of phosphorene as well as the device applications using phosphorene materials.
Effective atomic number and mass attenuation coefficient of PbO-BaO-B2O3 glass system
Issa, Shams A. M.
2016-03-01
Gamma-rays attenuation coefficient, half-value layer, mean free path, effective atomic number and electron density have been measured in glass system of xPbO-(50-x) BaO-50B2O3 (where 5≤x≤45 mol%) for gamma ray photon energies of 0.356, 0.662, 1.173 and 1.33 MeV. The emitted gamma ray was detected by 3×3 in. NaI(Tl) scintillation gamma ray spectrometers. The results were found in good agreement with the theoretical values which calculated from WinXcom.
Electron capture in collisions of S4+ with atomic hydrogen
International Nuclear Information System (INIS)
Charge transfer processes due to collisions of ground state S4+(3s21S) ions with atomic hydrogen are investigated for energies between 1 meV u-1 and 10 MeV u-1 using the quantum mechanical molecular-orbital close-coupling (MOCC), atomic-orbital close-coupling, classical trajectory Monte Carlo (CTMC) and continuum distorted wave methods. The MOCC calculations utilize ab initio adiabatic potentials and nonadiabatic radial coupling matrix elements obtained with the spin-coupled valence-bond approach. A number of variants of the CTMC approach were explored, including different momentum and radial distributions for the initial state, as well as effective charge and quantum-defect models to determine the corresponding quantum state after capture into final partially stripped S3+ excited classical states. Hydrogen target isotope effects are explored and rate coefficients for temperatures between 100 and 106 K are also presented. (author)
High-performance experimental apparatus for large atom number 87Rb Bose-Einstein condensates
International Nuclear Information System (INIS)
We describe our high-performance experimental apparatus for producing large atom number 87Rb Bose-Einstein condensates by using a double magneto-optical trap (MOT) system that consists of a two-dimensional MOT (2D MOT) and a three-dimensional MOT (3D MOT). As an atomic beam source for loading the 3D MOT, we use a unique 2D MOT system with two-color pushing beams, which increase the loading rate and the total number of atoms in the 3D MOT, compared to a pure 2D MOT by a factor of 20. After MOT compression and polarization gradient cooling, atoms are optically pumped into a magnetically trappable hyperfine state F = -1> to be loaded into a quadrupole-Ioffe-configuration (QUIC) trap. We enhance this optical pumping process by up to 300% by using two laser beams. After rf evaporative cooling, a Bose-Einstein condensate (BEC) with more than 2 x 107 atoms is achieved.
Temperature and number evolution of cold cesium atoms inside a glass cell
Huang, J Q; Wang, S G; Wang, Z B; Wang, L J
2015-01-01
We report an experimental study on the temperature and number evolution of the cold cesium atoms diffusively cooled inside a wall-coated glass cell by measuring the absorption profile of the 62S1/2 (F=4)-62P3/2 (F'=5) transition line with a weak probe laser in the evolution process. We found that the temperature of the cold atoms first gradually decreases from 16 mK to 9 mK, and then rapidly increases. A theoretical model of the number evolution is built, which includes the temperature of the cold atoms and the fraction p of the cold cesium atoms elastically reflected by the cell wall. The theoretical model is consistent with the experimental result very well, and the fraction p is obtained to be (0.58 +/- 0.03), which reveals that the cold cesium atoms are not all heated to the ambient temperature by a single collision with the cell wall.
K-LL Auger transition probabilities for elements with low and intermediate atomic numbers
Chen, M. H.; Crasemann, B.
1973-01-01
Radiationless K-LL transition probabilities have been calculated nonrelativistically in j-j coupling and in intermediate coupling, without and with configuration interaction, for elements with atomic numbers from 13 to 47. The system is treated as a coupled two-hole configuration. The single-particle radial wave functions required in the calculation of radial matrix elements, and in the calculation of mixing coefficients in the intermediate-coupling scheme, were obtained from Green's atomic independent-particle model. Comparison with previous theoretical work and with experimental data is made. The effects of intermediate coupling, configuration interaction, and relativity are noted.
Positron-Lithium Atom and Electron-Lithium Atom Scattering Systems at Intermediate and High Energies
Institute of Scientific and Technical Information of China (English)
K. Ratnavelu; S. Y. Ng
2006-01-01
@@ The coupled-channel optical method is used to study positron scattering by atomic lithium at energies ranging from the ionization threshold to 60 eV. The present method simultaneously treats the target channels and the positronium (Ps) channels in the coupled-channel method together with the continuum effects via an ab-initio optical potential. Ionization, elastic and inelastic cross sections in target channels, and the total cross section are also reported and compared with other theoretical and experimental data. A comparative study with the corresponding electron-lithium data is also reported.
Electronic Structure of Helium Atom in a Quantum Dot
Jayanta, K. Saha; Bhattacharyya, S.; T. K., Mukherjee
2016-03-01
Bound and resonance states of helium atom have been investigated inside a quantum dot by using explicitly correlated Hylleraas type basis set within the framework of stabilization method. To be specific, precise energy eigenvalues of bound 1sns (1Se) (n = 1-6) states and the resonance parameters i.e. positions and widths of 1Se states due to 2sns (n = 2-5) and 2pnp (n = 2-5) configurations of confined helium below N = 2 ionization threshold of He+ have been estimated. The two-parameter (Depth and Width) finite oscillator potential is used to represent the confining potential due to the quantum dot. It has been explicitly demonstrated that the electronic structural properties become sensitive functions of the dot size. It is observed from the calculations of ionization potential that the stability of an impurity ion within a quantum dot may be manipulated by varying the confinement parameters. A possibility of controlling the autoionization lifetime of doubly excited states of two-electron ions by tuning the width of the quantum cavity is also discussed here. TKM Gratefully Acknowledges Financial Support under Grant No. 37(3)/14/27/2014-BRNS from the Department of Atomic Energy, BRNS, Government of India. SB Acknowledges Financial Support under Grant No. PSW-160/14-15(ERO) from University Grants Commission, Government of India
Magnetic dichroism in the one-electron atom
International Nuclear Information System (INIS)
The difference in absorption rate of right or left circularly polarized x-rays by magnetic materials is known as magnetic dichroism and is a well established method of investigating the magnetic properties of materials on a microscopic level. In this paper we illustrate this effect with a study of magnetic dichroism in the one-electron atom. The standard relativistic one-electron atom is solved. First-order perturbation theory is used to calculate eigenfunctions in an applied constant magnetic field. These eigenfunctions are used in a golden rule calculation of the absorption rate for right and left circularly polarized light as a function of applied field. All calculations have been done analytically. The difference in absorption rates for right and left circularly polarized light for 1s to 2p1/2 is of opposite sign to the difference for 1s to 2p3/2. We comment on the significance of these results in the interpretation of dichroism experiments on magnetic materials. (author)
Electron densities and alkali atoms in exoplanet atmospheres
Energy Technology Data Exchange (ETDEWEB)
Lavvas, P. [GSMA, Université de Reims Champagne Ardenne, CNRS UMR 7331, Reims, 51687 France (France); Koskinen, T.; Yelle, R. V., E-mail: panayotis.lavvas@univ-reims.fr [Lunar and Planetary Laboratory, University of Arizona, Tucson, AZ 85719 (United States)
2014-11-20
We describe a detailed study on the properties of alkali atoms in extrasolar giant planets, and specifically focus on their role in generating the atmospheric free electron densities, as well as their impact on the transit depth observations. We focus our study on the case of HD 209458b, and we show that photoionization produces a large electron density in the middle atmosphere that is about two orders of magnitude larger than the density anticipated from thermal ionization. Our purely photochemical calculations, though, result in a much larger transit depth for K than observed for this planet. This result does not change even if the roles of molecular chemistry and excited state chemistry are considered for the alkali atoms. In contrast, the model results for the case of exoplanet XO-2b are in good agreement with the available observations. Given these results we discuss other possible scenarios, such as changes in the elemental abundances, changes in the temperature profiles, and the possible presence of clouds, which could potentially explain the observed HD 209458b alkali properties. We find that most of these scenarios cannot explain the observations, with the exception of a heterogeneous source (i.e., clouds or aerosols) under specific conditions, but we also note the discrepancies among the available observations.
Electron densities and alkali atoms in exoplanet atmospheres
Lavvas, Panayotis; Yelle, Roger V
2014-01-01
We describe a detailed study on the properties of alkali atoms in extrasolar giant planets, and specifically focus on their role in generating the atmospheric free electron densities, as well as their impact on the transit depth observations. We focus our study on the case of HD 209458 b, and we show that photoionization produces a large electron density in the middle atmosphere that is about two orders of magnitude larger than the density anticipated from thermal ionization. Our purely photochemical calculations though result in a much larger transit depth for K than observed for this planet. This result does not change even if the roles of molecular chemistry and excited state chemistry are considered for the alkali atoms. In contrast, the model results for the case of exoplanet XO-2 b are in good agreement with the available observations. Given these results we discuss other possible scenarios, such as changes in the elemental abundances, changes in the temperature profiles, and the possible presence of cl...
Voitkiv, A. B.; Najjari, B.; Shevelko, S. P.
2010-01-01
At impact energies $ \\stackrel{>}{\\sim}1$ GeV/u the projectile-electron excitation and loss occurring in collisions between highly charged ions and neutral atoms is already strongly influenced by the presence of atomic electrons. In order to treat these processes in collisions with heavy atoms we generalize the symmetric eikonal model, used earlier for considerations of electron transitions in ion-atom collisions within the scope of a three-body Coulomb problem. We show that at asymptotically...
International Nuclear Information System (INIS)
Full text: The technique of atom location by channelling enhanced microanalysis (ALCHEMI) using cross section data, measured as a function of electron beam orientation, has been widely implemented by many researchers. The accurate application of ALCHEMI, usually based on energy dispersive x-ray analysis (EDX), requires knowledge, from first principles, of the relative delocalization of the inner-shell ionization interaction (see for example Oxley and Allen, 1998; Oxley et al., 1999). Scanning transmission electron microscopy (STEM) based on electron energy loss spectroscopy (EELS) also provides information about the location of atoms of different types within the crystal lattice. Unlike high angle annular dark field (HAADF), EELS provides a unique signal for each atom type. In conjunction with highly focused probes, allowing near atomic resolution, this makes possible, in principle, the application of ALCHEMI like techniques to STEM images to determine the distribution of impurities within the unit cell. The accurate interpretation of STEM results requires that both the inner-shell ionization interaction and resulting ionization cross section or image be correctly modelled. We present model calculations demonstrating the in principle application of ALCHEMI type techniques to STEM images pertinent to EELS. The inner-shell ionisation interaction is modelled using Hartree-Fock wave functions to describe the atomic bound states and Hartree-Slater wave functions to describe the continuum states. The wave function within the crystal is calculated using boundary conditions appropriate for a highly focussed probe (Rossouw and Allen, 2001) and STEM images or ionisation cross sections are simulated using an inelastic cross section formulation that correctly accounts for the contribution from both dynamical electrons and those dechannelled by absorptive scattering processes such as thermal diffuse scattering (TDS). Copyright (2002) Australian Society for Electron Microscopy
Winter, H.; Lederer, S.; Maass, K.; Mertens, A.; Aumayr, F.; Winter, HP
2002-08-01
The energy loss of kilo-electronvolt hydrogen atoms for scattering from a LiF(001) surface under a grazing angle of incidence is measured in coincidence with the number of emitted electrons. The combined time-of-flight and electron number distributions show discrete features which are attributed to specific numbers for emitted electrons and production of surface excitons. The distributions are fairly well reproduced in terms of binomial distributions. The corresponding probabilities for electron and exciton production can consistently be related to a model where the formation of negative hydrogen atoms via local electron capture from halogen lattice sites is considered as a precursor for both processes.
Theoretical study of atoms by the electronic kinetic energy density and stress tensor density
Nozaki, Hiroo; Tachibana, Akitomo
2016-01-01
We analyze the electronic structure of atoms in the first, second and third periods using the electronic kinetic energy density and stress tensor density, which are local quantities motivated by quantum field theoretic consideration, specifically the rigged quantum electrodynamics. We compute the zero surfaces of the electronic kinetic energy density, which we call the electronic interfaces, of the atoms. We find that their sizes exhibit clear periodicity and are comparable to the conventional atomic and ionic radii. We also compute the electronic stress tensor density and its divergence, tension density, of the atoms, and discuss how their electronic structures are characterized by them.
Electron dynamics in the carbon atom induced by spin-orbit interaction
Rey, H F
2014-01-01
We use R-Matrix theory with Time dependence (RMT) to investigate multiphoton ionization of ground-state atomic carbon with initial orbital magnetic quantum number $M_L$=0 and $M_L$=1 at a laser wavelength of 390 nm and peak intensity of 10$^{14}$ W cm$^{-2}$. Significant differences in ionization yield and ejected-electron momentum distribution are observed between the two values for $M_L$. We use our theoretical results to model how the spin-orbit interaction affects electron emission along the laser polarization axis. Under the assumption that an initial C atom is prepared at zero time delay with $M_L=0$, the dynamics with respect to time delay of an ionizing probe pulse modelled using RMT theory is found to be in good agreement with available experimental data.
Secondary electron emission from Au by medium energy atomic and molecular ions
Itoh, A; Obata, F; Hamamoto, Y; Yogo, A
2002-01-01
Number distributions of secondary electrons emitted from a Au metal surface have been measured for atomic and molecular ions of H sup + , He sup + , C sup + , N sup + , O sup + , H sup + sub 2 , H sup + sub 3 , HeH sup + , CO sup + and O sup + sub 2 in the energy range 0.3-2.0 MeV. The emission statistics obtained are described fairly well by a Polya function. The Polya parameter b, determining the distribution shape, is found to decrease monotonously with increasing emission yield gamma, revealing a surprising relationship of b gamma approx 1 over the different projectile species and impact energies. This finding supports certainly the electron cascading model. Also we find a strong negative molecular effect for heavier molecular ions, showing a significant reduction of gamma compared to the estimated values using constituent atomic projectile data.
Handshake electron transfer from hydrogen Rydberg atoms incident at a series of metallic thin films
Gibbard, Jemma A
2016-01-01
Thin metallic films have a 1D quantum well along the surface normal direction, which yields particle-in-a-box style electronic quantum states. However the quantum well is not infinitely deep and the wavefunctions of these states penetrate outside the surface where the electron is bound by its own image-charge attraction. Therefore a series of discrete, vacant states reach out from the thin film into the vacuum increasing the probability of electron transfer from an external atom or molecule to the thin film, especially for the resonant case where the quantum well energy matches that of the Rydberg atom. We show that `handshake' electron transfer from a highly excited Rydberg atom to these thin-film states is experimentally measurable. Thicker films, have a wider 1D box, changing the energetic distribution and image-state contribution to the thin film wavefunctions, resulting in more resonances. Calculations successfully predict the number of resonances and the nature of the thin-film wavefunctions for a given...
International Nuclear Information System (INIS)
A bibliographies of original and review reports of experiments or theories of electron and photon cross sections and also electron swarm data are presented for atomic or molecular species with specified targets. These works covered 17 atoms and 51 molecules. The present bibliography is only for xenon (Xe). About 1180 papers were compiled. A comprehensive author index is included. The bibliography covers the period 1921 through 2000 for Xe. Finally, author's recommended Xe electron collision cross section set is given by number tables. (author)
Directory of Open Access Journals (Sweden)
Robert F. Tournier
2014-08-01
Full Text Available A few experiments have detected icosahedral superclusters in undercooled liquids. These superclusters survive above the crystal melting temperature Tm because all their surface atoms have the same fusion heat as their core atoms, and are melted by liquid homogeneous and heterogeneous nucleation in their core, depending on superheating time and temperature. They act as heterogeneous growth nuclei of crystallized phase at a temperature Tc of the undercooled melt. They contribute to the critical barrier reduction, which becomes smaller than that of crystals containing the same atom number n. After strong superheating, the undercooling rate is still limited because the nucleation of 13-atom superclusters always reduces this barrier, and increases Tc above a homogeneous nucleation temperature equal to Tm/3 in liquid elements. After weak superheating, the most stable superclusters containing n = 13, 55, 147, 309 and 561 atoms survive or melt and determine Tc during undercooling, depending on n and sample volume. The experimental nucleation temperatures Tc of 32 liquid elements and the supercluster melting temperatures are predicted with sample volumes varying by 18 orders of magnitude. The classical Gibbs free energy change is used, adding an enthalpy saving related to the Laplace pressure change associated with supercluster formation, which is quantified for n = 13 and 55.
Towards the measurement of the electron EDM with laser cooled francium atoms
Kawamura, Hirokazu; Ando, S.; Aoki, T.; Arikawa, H.; Ezure, S.; Harada, K.; Hayamizu, T.; Inoue, T.; Ishikawa, T.; Itoh, M.; Kato, K.; Sakamoto, K.; Uchiyama, A.; Aoki, T.; Furukawa, T.; Hatakeyama, A.; Hatanaka, K.; Imai, K.; Murakami, T.; Nataraj, H. S.; Sato, T.; Shimizu, Y.; Yoshida, H. P.; Wakasa, T.; Sakemi, Y.
2014-09-01
The electric dipole moment (EDM) of a particle is a probe into new physics beyond the standard model. The electron EDM might be observed with an enhancement in heavier paramagnetic atoms. Francium (Fr), whose electron structure is useful for laser-cooling and trapping, has a large enhancement factor. Fr produced at high temperature via a fusion reaction will be laser-cooled and trapped in an optical lattice where the EDM is measured. The magneto-optical trapping of Fr is required in advance of the lattice trapping. The technique observing a small number of atoms makes it easy to search for the resonant frequency of Fr. The improvement of the beam purity should lead to a more efficient trap. The techniques towards Fr trapping and EDM measurement have been developed. The electric dipole moment (EDM) of a particle is a probe into new physics beyond the standard model. The electron EDM might be observed with an enhancement in heavier paramagnetic atoms. Francium (Fr), whose electron structure is useful for laser-cooling and trapping, has a large enhancement factor. Fr produced at high temperature via a fusion reaction will be laser-cooled and trapped in an optical lattice where the EDM is measured. The magneto-optical trapping of Fr is required in advance of the lattice trapping. The technique observing a small number of atoms makes it easy to search for the resonant frequency of Fr. The improvement of the beam purity should lead to a more efficient trap. The techniques towards Fr trapping and EDM measurement have been developed. Supported by MEXT/JSPS KAKENHI Grants (21104005, 25610112 and 26220705) and Tohoku University's Focused Research Project.
Low-voltage coherent electron imaging based on a single-atom electron
Chang, Wei-Tse; Hsu, Wei-Hao; Chang, Mu-Tung; Chen, Yi-Sheng; Hwu, En-Te; Hwang, Ing-Shouh
2015-01-01
It has been a general trend to develop low-voltage electron microscopes due to their high imaging contrast of the sample and low radiation damage. Atom-resolved transmission electron microscopes with voltages as low as 15-40 kV have been demonstrated. However, achieving atomic resolution at voltages lower than 10 kV is extremely difficult. An alternative approach is coherent imaging or phase retrieval imaging, which requires a sufficiently coherent source and an adequately small detection area on the sample as well as the detection of high-angle diffracted patterns with a sufficient resolution. In this work, we propose several transmission-type schemes to achieve coherent imaging of thin materials (less than 5 nm thick) with atomic resolution at voltages lower than 10 kV. Experimental schemes of both lens-less and lens-containing designs are presented and the advantages and challenges of these schemes are discussed. Preliminary results based on a highly coherent single-atom electron source are presented. The ...
Electron structure of atoms in laser plasma: The Debye shielding model
International Nuclear Information System (INIS)
The electronic structure and the energy spectra of multielectron atoms in laser plasmas are examined by the Debye shielding model. The effect of the plasma environment on the electrons bound in an atom is taken into account by introducing the screened Coulomb-type potentials into the electronic Hamiltonian of an atom in place of the standard nuclear attraction and electron repulsion potentials. The capabilities of this new Hamiltonian are demonstrated for He and Li in laser plasmas. (author)
Electron emission from a two-dimensional crystal with atomic thickness
Xianlong Wei; Qing Chen; Lianmao Peng
2013-01-01
Electron emission from a two-dimensional (2D) crystal with atomic thickness is theoretically studied with all the features associated with the low dimensionality and the atomic thickness being well considered. It is shown that, the atomic thickness results in quantum confinement of electrons in the crystal along thickness direction, and consequently two different ways of electron emission from it without and with quantum confinement of electrons normal to emission boundary: edge emission and ...
Development of gridded ionization chamber for measuring atomic number of fission fragments
International Nuclear Information System (INIS)
In order to investigate the mechanism of asymmetric mass division in low energy fission of actinides, the detector for measuring an atomic number (Z) for fission fragments has been developed. Because the atomic number is closely related to energy losses of fragments, the gridded ionization chamber with divided anode is useful for this purpose. The detector was designed and optical conditions such as the distance and electric potential between electrodes were searched using alpha particles from 252Cf. The total energy and energy losses of fission fragments from 252Cf were measured under the obtained conditions. It was found that fission fragments lost most of the kinetic energy in the beginning of their range. This behavior agrees qualitatively with results of simulation by TRIM code. In the presentation, the results of energy measurements under various conditions will be shown and discussed. (author)
Effective atomic number accuracy for kidney stone characterization using spectral CT
Joshi, M.; Langan, D. A.; Sahani, D. S.; Kambadakone, A.; Aluri, S.; Procknow, K.; Wu, X.; Bhotika, R.; Okerlund, D.; Kulkarni, N.; Xu, D.
2010-04-01
The clinical application of Gemstone Spectral ImagingTM, a fast kV switching dual energy acquisition, is explored in the context of noninvasive kidney stone characterization. Utilizing projection-based material decomposition, effective atomic number and monochromatic images are generated for kidney stone characterization. Analytical and experimental measurements are reported and contrasted. Phantoms were constructed using stone specimens extracted from patients. This allowed for imaging of the different stone types under similar conditions. The stone specimens comprised of Uric Acid, Cystine, Struvite and Calcium-based compositions. Collectively, these stone types span an effective atomic number range of approximately 7 to 14. While Uric Acid and Calcium based stones are generally distinguishable in conventional CT, stone compositions like Cystine and Struvite are difficult to distinguish resulting in treatment uncertainty. Experimental phantom measurements, made under increasingly complex imaging conditions, illustrate the impact of various factors on measurement accuracy. Preliminary clinical studies are reported.
Dynamical decoherence in a cavity with a large number of two-level atoms
Frasca, M
2004-01-01
We consider a large number of two-level atoms interacting with the mode of a cavity in the rotating-wave approximation (Tavis-Cummings model). We apply the Holstein-Primakoff transformation to study the model in the limit of the number of two-level atoms, all in their ground state, becoming very large. The unitary evolution that we obtain in this approximation is applied to a macroscopic superposition state showing that, when the coherent states forming the superposition are enough distant, then the state collapses on a single coherent state describing a classical radiation mode. This appear as a true dynamical effect that could be observed in experiments with cavities.
Reactive scattering of electronically excited alkali atoms with molecules
International Nuclear Information System (INIS)
Representative families of excited alkali atom reactions have been studied using a crossed beam apparatus. For those alkali-molecule systems in which reactions are also known for ground state alkali and involve an early electron transfer step, no large differences are observed in the reactivity as Na is excited. More interesting are the reactions with hydrogen halides (HCl): it was found that adding electronic energy into Na changes the reaction mechanism. Early electron transfer is responsible of Na(5S, 4D) reactions, but not of Na(3P) reactions. Moreover, the NaCl product scattering is dominated by the HCl- repulsion in Na(5S, 4D) reactions, and by the NaCl-H repulsion in the case of Na(3P). The reaction of Na with O2 is of particular interest since it was found to be state specific. Only Na(4D) reacts, and the reaction requires restrictive constraints on the impact parameter and the reactants' relative orientation. The reaction with NO2 is even more complex since Na(4D) leads to the formation of NaO by two different pathways. It must be mentioned however, that the identification of NaO as product in these reactions has yet to be confirmed
Measurement of atom numbers of compound α source by using a gridded ionization chamber
International Nuclear Information System (INIS)
Atom numbers of the isotopes of a compound α source are measured by using a gridded ionization chamber (GIC). Make full use of the characteristics of the GIC, the self-absorption and scattering effects are corrected, and the precise results are derived. The study establishes the basis of the further experiment of the light nuclei (n, α) reaction. The method can also be used in measuring the weak α source. (authors)
Some new developments in the field of high atomic number semiconductor materials
International Nuclear Information System (INIS)
A presentation of the main properties of high atomic number materials able to work as room temperature dectectors is made, including present status of synthesis. We summarize some applications in nuclear medical probe, tomography scanners, dosimetry and instrumentation. Mainly focused on CdTe and Hg I2 in monocrystal form the presentation will include some industrial applications. Hg I2 is also presented as a photodetector associated with scintillators
Atomic and electronic structure of MoS2 nanoparticles
Bollinger, Mikkel; Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet
2003-01-01
Using density-functional theory (DFT) we present a detailed theoretical study of MoS2 nanoparticles. We focus on the edge structures, and a number of different edge terminations are investigated. Several, but not all, of these configurations have one-dimensional metallic states localized at the edges. The electronic structure of the edge states is studied and we discuss their influence on the chemical properties of the edges. In particular, we study the reactivity towards hydrogen and show th...
Improved atom number with a dual color magneto—optical trap
International Nuclear Information System (INIS)
We demonstrate a novel dual color magneto—optical trap (MOT), which uses two sets of overlapping laser beams to cool and trap 87Rb atoms. The volume of cold cloud in the dual color MOT is strongly dependent on the frequency difference of the laser beams and can be significantly larger than that in the normal MOT with single frequency MOT beams. Our experiment shows that the dual color MOT has the same loading rate as the normal MOT, but much longer loading time, leading to threefold increase in the number of trapped atoms. This indicates that the larger number is caused by reduced light induced loss. The dual color MOT is very useful in experiments where both high vacuum level and large atom number are required, such as single chamber quantum memory and Bose—Einstein condensation (BEC) experiments. Compared to the popular dark spontaneous-force optical trap (dark SPOT) technique, our approach is technically simpler and more suitable to low power laser systems. (rapid communication)
Improved atom number with a dual color magneto-optical trap
Institute of Scientific and Technical Information of China (English)
Cao Qiang; Luo Xin-Yu; Gao Kui-Yi; Wang Xiao-Rui; Chen Dong-Min; Wang Ru-Quan
2012-01-01
We demonstrate a novel dual color magneto-optical trap (MOT),which uses two sets of overlapping laser beams to cool and trap 87Rb atoms.The volume of cold cloud in the dual color MOT is strongly dependent on the frequency difference of the laser beams and can be significantly larger than that in the normal MOT with single frequency MOT beams.Our experiment shows that the dual color MOT has the same loading rate as the normal MOT,but much longer loading time,leading to threefold increase in the number of trapped atoms.This indicates that the larger number is caused by reduced light induced loss.The dual color MOT is very useful in experiments where both high vacuum level and large atom number are required,such as single chamber quantum memory and Bose Einstein condensation (BEC) experiments.Compared to the popular dark spontaneous-force optical trap (dark SPOT) technique,our approach is technically simpler and more suitable to low power laser systems.
Electron-impact ionization of the N atom
International Nuclear Information System (INIS)
Electron-impact ionization cross sections for the ground and excited states of the N atom are calculated using the non-perturbative R-matrix with pseudo-states and time-dependent close-coupling (TDCC) methods, as well as the perturbative distorted-wave method. The TDCC and distorted-wave results for the 1s22s22p23l (l=0−2) excited configurations are much larger than for the ground configuration. In all cases the TDCC results are substantially lower than the distorted-wave results. The ionization cross section results will lead to a better understanding of moderately dense astrophysical and laboratory plasmas containing nitrogen. (paper)
Atomic and electronic structure of divacancies in carbon nanotubes
Berber, Savas; Oshiyama, Atsushi
2008-04-01
We present atomic and electronic structure of divacancies in carbon nanotubes, which is calculated using the density functional theory. Divacancies in carbon nanotubes self-heal by spontaneous reconstructions, which consist of concerted bond formations. Divacancy formation energies EDV , which strongly depend on the divacancy orientation with respect to the tube axis, are in the range of 2.8 4.3 eV for favorable orientations in the nanotubes of 4 9Å diameter, making divacancies more probable than monovacancies in carbon nanotubes. Defect related states lead to a higher density of states around the Fermi level. Semiconducting nanotubes develop midgap levels that may adversely affect the functionality of carbon nanotube based devices. Our spin polarized density functional calculations show that the exchange splitting of defect-related bands in nonsemiconducting defective nanotubes leads to net spin polarizations of ρ↑-ρ↓≤0.5μB per divacancy for some divacancy orientations.
Atomic and electronic structure of surfaces theoretical foundations
Lannoo, Michel
1991-01-01
Surfaces and interfaces play an increasingly important role in today's solid state devices. In this book the reader is introduced, in a didactic manner, to the essential theoretical aspects of the atomic and electronic structure of surfaces and interfaces. The book does not pretend to give a complete overview of contemporary problems and methods. Instead, the authors strive to provide simple but qualitatively useful arguments that apply to a wide variety of cases. The emphasis of the book is on semiconductor surfaces and interfaces but it also includes a thorough treatment of transition metals, a general discussion of phonon dispersion curves, and examples of large computational calculations. The exercises accompanying every chapter will be of great benefit to the student.
Electronic and Atomic-Scale Properties of Ultraflat CVD Graphene
Gutierrez, Christopher; Rosenthal, Ethan; Dadgar, Ali; Brown, Lola; Lochocki, Edward; Shen, Kyle; Park, Jiwoong; Pasupathy, Abhay
2014-03-01
Chemical vapor deposition (CVD) growth on copper foils has proven to be a reliable and cost-effective method for the production of graphene. However, most films grown by this method suffer from misoriented graphene grains as well as topographic roughness due to the polycrystallinity of the underlying copper foil substrate. Recent methods of copper foil treatment have allowed for the growth of graphene predominantly on large single crystal Cu(111) facets. In this talk we discuss scanning tunneling microscope (STM) measurements on such samples that reveal large terraces and atomically-resolved images that allow us to analyze the graphene-copper interaction during the growth. Scanning tunneling spectroscopy (STS) measurements and mapping are further employed to probe the electronic interaction between the graphene and copper substrate.
Analogs of Basic Electronic Circuit Elements in a Free-Space Atom Chip
Lee, Jeffrey G.; McIlvain, Brian J.; Lobb, C. J.; Hill, W. T., III
2013-01-01
Using a thermal sample of laser-cooled rubidium atoms, we have constructed a neutral-atom circuit analogous to an electronic capacitor discharged through a resistor. The atoms are confined using what we call a free-space atom chip, an optical dipole trap created using a generalized phase-contrast imaging technique. We have also calculated theoretical values for the capacitance and resistance, which agree with our experiments, as well as theoretical value for an atomic analog of electrical inductance. We show that atomic capacitance is analogous to the quantum capacitance, the atomic resistance is analogous to the ballistic, or Sharvin resistance, and the atomic inductance is analogous to kinetic inductance.
Grankin, V. P.; Grankin, D. V.
2016-06-01
The reaction energy transfer to electrons and release of electrons from traps under the action of the recombination of H atoms on the surface of light-sum-storing crystals (Zn2SiO4-Mn, ZnS, ZnS,CdS-Ag) was studied. This effect is associated with the reaction energy accommodation via the electronic channel. The transfer of electronic excitations to the atomic recombination event is independent of the reaction rate, but depends on the electron transition energy in a solid. The possibility of electronic excitation per heterogeneous recombination event of H atoms increased exponentially as the electron transition energy decreased.
Electron-loss and excitation cross sections for a He+ ion colliding with various atoms
International Nuclear Information System (INIS)
A unitarized impact-parameter method is applied to calculate the electron-loss and excitation cross sections for He+ ions colliding with atoms. The projectile ionization and excitation are dominantly caused by the average potential field of the target atom (atomic number Z2). The inelastic process of exciting the target atom contributes negligibly except for light target elements. We adopt the Moliere potential to describe this average potential field. The energy dependences of the electron-loss cross sections in He, N2, and Ar targets are in good agreement with the reported data. In the case of the Kr target, the present theory yields larger cross sections than the data, especially below 1 MeV impact energy of a He+ projectile. The calculated loss cross sections at impact velocity ranging from 2v0 to 6v0 (v0 = 2.18 x 108 cm/s) show a weaker Z2 dependence in the large Z2 region than that given by the Bohr formula. As for the cross section for exciting the ground state of a projectile to the first excited state, a similar weak Z2 dependence can be found. The recent experimental results using 40-MeV F8+ ions colliding with He, Ne, Ar, and Kr targets have supported this tendency
Energy Technology Data Exchange (ETDEWEB)
De Backer, A.; Martinez, G.T. [Electron Microscopy for Materials Science (EMAT), University of Antwerp, Groenenborgerlaan 171, B-2020 Antwerp (Belgium); MacArthur, K.E.; Jones, L. [Department of Materials, University of Oxford, 16 Parks Road, Oxford OX1 3PH (United Kingdom); Béché, A. [Electron Microscopy for Materials Science (EMAT), University of Antwerp, Groenenborgerlaan 171, B-2020 Antwerp (Belgium); Nellist, P.D. [Department of Materials, University of Oxford, 16 Parks Road, Oxford OX1 3PH (United Kingdom); Van Aert, S., E-mail: sandra.vanaert@uantwerpen.be [Electron Microscopy for Materials Science (EMAT), University of Antwerp, Groenenborgerlaan 171, B-2020 Antwerp (Belgium)
2015-04-15
Quantitative annular dark field scanning transmission electron microscopy (ADF STEM) has become a powerful technique to characterise nano-particles on an atomic scale. Because of their limited size and beam sensitivity, the atomic structure of such particles may become extremely challenging to determine. Therefore keeping the incoming electron dose to a minimum is important. However, this may reduce the reliability of quantitative ADF STEM which will here be demonstrated for nano-particle atom-counting. Based on experimental ADF STEM images of a real industrial catalyst, we discuss the limits for counting the number of atoms in a projected atomic column with single atom sensitivity. We diagnose these limits by combining a thorough statistical method and detailed image simulations. - Highlights: • Limited size and beam sensitivity of nano-particles challenge their quantification. • Keeping the electron dose to a minimum is therefore important. • Reliability of quantitative ADF STEM for atom-counting is demonstrated. • Limits for single atom sensitivity are discussed. • Limits are diagnosed by combining simulations and a statistical method.
International Nuclear Information System (INIS)
Quantitative annular dark field scanning transmission electron microscopy (ADF STEM) has become a powerful technique to characterise nano-particles on an atomic scale. Because of their limited size and beam sensitivity, the atomic structure of such particles may become extremely challenging to determine. Therefore keeping the incoming electron dose to a minimum is important. However, this may reduce the reliability of quantitative ADF STEM which will here be demonstrated for nano-particle atom-counting. Based on experimental ADF STEM images of a real industrial catalyst, we discuss the limits for counting the number of atoms in a projected atomic column with single atom sensitivity. We diagnose these limits by combining a thorough statistical method and detailed image simulations. - Highlights: • Limited size and beam sensitivity of nano-particles challenge their quantification. • Keeping the electron dose to a minimum is therefore important. • Reliability of quantitative ADF STEM for atom-counting is demonstrated. • Limits for single atom sensitivity are discussed. • Limits are diagnosed by combining simulations and a statistical method
Effective atomic number of dental smalt; Numero atomico efetivo do esmalte dentario
Energy Technology Data Exchange (ETDEWEB)
Rodas D, J.E.; Nogueira, M.S. [Departamento de Fisica e Matematica da FFCLRP-USP. 14040-901 Ribeirao Preto, Sao Paulo (Brazil)
1998-12-31
The effective atomic numbers Z are enough utilized for to characterize the interactions of ionizing radiation with matter. Particularly for the Z calculation in biological tissues and/or composed materials we need to know the relationship between the cross sections of the diverse radiations interactions with mattera and the atomic numbers Z of the constituent elements in the tissue or composed material. Normally the cross section by atom {sigma} {sup 2} is proportional to Z{sup m}. The m value depends of the iterative process type and the energy of the incident photons. In the case of the photoelectric interaction, the m vary will vary between 4,698 and 4,799 for energies between 10 to 200 keV. It was verified that constituent elements with high Z (>20) they had a major contribution. The m values for the Compton interation and the coherent scattering were calculated of similar way. Knowing the m values, we calculate the partials Z of a composed material. For the calculation of total Z, we can use alternatives starting from the equivalent atomic number corresponding to the total cross section {sigma} {sup d} tot, mc of the composed material. In this work for the calculation of Z values corresponding to diverse interations, we applied a linear regression at the values of Ln {sigma} {sup a} x LnZ for different energies. In general, to characterize a simulator material of a tissue or composed material we need to know the total Z in function of the photon energy applied to dental smalt increases until some hundreds of keV the partial values of Z owing to photoelectric effect and the coherent scattering this is owing to the smalt has a great concentration of elements with high Z. (Author)
Towards weighing individual atoms by high-angle scattering of electrons
Energy Technology Data Exchange (ETDEWEB)
Argentero, G.; Mangler, C.; Kotakoski, J.; Eder, F.R.; Meyer, J.C., E-mail: Jannik.Meyer@univie.ac.at
2015-04-15
We consider theoretically the energy loss of electrons scattered to high angles when assuming that the primary beam can be limited to a single atom. We discuss the possibility of identifying the isotopes of light elements and of extracting information about phonons in this signal. The energy loss is related to the mass of the much heavier nucleus, and is spread out due to atomic vibrations. Importantly, while the width of the broadening is much larger than the energy separation of isotopes, only the shift in the peak positions must be detected if the beam is limited to a single atom. We conclude that the experimental case will be challenging but is not excluded by the physical principles as far as considered here. Moreover, the initial experiments demonstrate that the separation of gold and carbon based on a signal that is related to their mass, rather than their atomic number. - Highlights: • We explore how energy loss spectroscopy could be used to obtain information about the mass, rather than the charge, of atoms. • The dose and precision that would be needed to distinguish between the two isotopes of carbon, C12 and C13, is estimated. • Signal broadening due to phonons is included in the calculation. • Initial experiments show the separation between gold and carbon based on their mass rather than charge.
Correlated electron-ion dynamics: the excitation of atomic motion by energetic electrons
International Nuclear Information System (INIS)
Correlated electron-ion dynamics (CEID) is an extension of molecular dynamics that allows us to introduce in a correct manner the exchange of energy between electrons and ions. The formalism is based on a systematic approximation: small amplitude moment expansion. This formalism is extended here to include the explicit quantum spread of the ions and a generalization of the Hartree-Fock approximation for incoherent sums of Slater determinants. We demonstrate that the resultant dynamical equations reproduce analytically the selection rules for inelastic electron-phonon scattering from perturbation theory, which control the mutually driven excitations of the two interacting subsystems. We then use CEID to make direct numerical simulations of inelastic current-voltage spectroscopy in atomic wires, and to exhibit the crossover from ionic cooling to heating as a function of the relative degree of excitation of the electronic and ionic subsystems
Some electron detachment data for H- ions in collisions with electrons, ions, atoms and molecules
International Nuclear Information System (INIS)
In order to provide information on the effectiveness of the conversion of negative hydrogen ions in collision with multiply charged ions into neutrals for plasma heating, the present situation is reviewed on the cross sections involving negative hydrogen ions in collisions with electrons, ions, atoms and molecules. It is pointed out that, though electron detachment from negative hydrogen ions is estimated to be effectively achievable under collisions with multiply charged ions, reliable data for such processes are still scanty in particular at the MeV/amu energy range and measurements of the cross sections are deserved to be performed urgently. (author)
The atomic and electronic structure of dislocations in Ga based nitride semiconductors
BELABBAS, Imad; Ruterana, Pierre; Chen, Jun; NOUET, Gérard
2006-01-01
Abstract The atomic and electronic properties of dislocations in III-N semiconductor layers, especially GaN are presented. The atomic structure of the edge threading dislocation is now well established with three different cores (8 or full core, 5/7 or open core and 4 atom ring). The use of atomistic simulations has confirmed these atomic structures and has given a good understanding of the electronic structure of the screw dislocation. Partial dislocations which are mostly confin...
Atomic and electronic structures of montmorillonite in soft rock
International Nuclear Information System (INIS)
Montmorillonite is a kind of clay mineral which often causes large deformation in soft-rock tunnel engineering and thus brings about safety problems in practice. To deal with these engineering safety problems, the physical and chemical properties of montmorillonite should be studied from basic viewpoints. We study the atomic and electronic structures of montmorillonite by using density-functional theory within the local-density approximation (LDA). The results of calculation show that Al–O bond lengths are longer than Si–O bond lengths. It is found that both the valence band maximum (VBM) and the conduction band minimum (CBM) of montmorillonite are at point Γ, and the calculated direct band gap of montmorillonite is 5.35 eV. We show that the chemical bonding between cations and oxygen anions in montmorillonite is mainly ionic, accompanied as well by a minor covalent component. It is pointed out that the VBM and CBM of montmorillonite consist of oxygen 2p and cation s states, respectively. Our calculated results help to understand the chemical and physical properties of montmorillonite, and are expected to be a guide for solving the problem of large deformation of soft-rock tunnels. (condensed matter: electronic structure, electrical, magnetic, and optical properties)
Calculation of electron-impace excitation and ionization of atoms
International Nuclear Information System (INIS)
Over the last few years it has been the author's goal to develop a open-quotes completeclose quotes electron-atom scattering theory. For a given projectile energy such a theory would be able to correctly predict the major scattering processes. These include elastic, excitation, and ionization cross sections. The convergent close-coupling (CCC) approach is a candidate for such a theory. Hamiltonians in an orthogonal Laguerre basis. The usage of this basis ensures that open-quotes completenessclose quotes is approached as N is increased. The CCC method may be thought of as a more systematic implementation of pseudostate methods. Whereas the success of the close-coupling approach to the calculation of excitation cross sections has been demonstrated for many decades it has rarely been applied to the calculation of ionization processes. By demonstrating the ability to obtain accurate ionization cross sections simultaneously with excitation processes the CCC method appears to have fulfilled these goals. In the talk a general outline of the CCC method will be given and its recent applications to the measurements of electron-impact ionization and excitation of the ground state of helium discussed
Electronic structure of helium atom in a quantum dot
Saha, Jayanta K; Mukherjee, T K
2015-01-01
Bound and resonance states of helium atom have been investigated inside a quantum dot by using explicitly correlated Hylleraas type basis set within the framework of stabilization method. To be specific, precise energy eigenvalues of bound 1sns (1Se) [n = 1-6] states and the resonance parameters i.e. positions and widths of 1Se states due to 2sns [n = 2-5] and 2pnp [n = 2-5] configuration of confined helium below N = 2 ionization threshold of He+ have been estimated. The two-parameter (Depth and Width) finite oscillator potential is used to represent the confining potential representing the quantum dot. It has been explicitly demonstrated that electronic structure properties become a sensitive function of the dot size. It is observed from the calculations of ionization potential that the stability of an impurity ion within quantum dot may be manipulated by varying the confinement parameters. A possibility of controlling the autoionization lifetime of doubly excited states of two-electron ions by tuning the wi...
Rusz, Jan; Idrobo, Juan-Carlos; Bhowmick, Somnath
2014-01-01
The calculations presented here reveal that an electron probe carrying orbital angular momentum is just a particular case of a wider class of electron beams that can be used to measure electron magnetic circular dichroism (EMCD) with atomic resolution. It is possible to obtain an EMCD signal with atomic resolution by simply breaking the symmetry of the electron probe phase distribution using the aberration-corrected optics of an scanning transmission electron microscope. The required phase di...
International Nuclear Information System (INIS)
In this thesis Compton profiles of high-nuclear-charge-number solids (silver, lutetium, gold, copper-nickel alloy) are obtained by inelastic proton-electron scattering at 21 respectively 22 MeV proton energy from the measurement of the energy spectrum of the recoil electrons in forward direction at an energy which corresponds to the double projectile velocity. For silver, lutetium, and gold from the experimental data after subtraction of a core contribution described by atomic Hartree-Fock wave function Compton profiles of the valence electrons were obtained; for the first time a valence Compton profile of gold was measured. (orig./HSI)
Frolov, Alexei M
2016-01-01
We discuss a possibility to observe fast secondary electrons ($\\delta-$electrons) during nuclear $\\beta^{-}$-decay in few-electron atoms and ions. Formulas for the corresponding probabilities and explicit expression for the energy spectrum of $\\delta-$electrons are derived in the closed analytical forms.
Wilson, S.
1977-01-01
A method is presented for the determination of the representation matrices of the spin permutation group (symmetric group), a detailed knowledge of these matrices being required in the study of the electronic structure of atoms and molecules. The method is characterized by the use of two different coupling schemes. Unlike the Yamanouchi spin algebraic scheme, the method is not recursive. The matrices for the fundamental transpositions can be written down directly in one of the two bases. The method results in a computationally significant reduction in the number of matrix elements that have to be stored when compared with, say, the standard Young tableaux group theoretical approach.
Czech Academy of Sciences Publication Activity Database
Kasperczuk, A.; Pisarczyk, T.; Chodukowski, T.; Kalinowska, Z.; Stepniewski, W.; Jach, K.; Swierczynski, R.; Renner, Oldřich; Šmíd, Michal; Ullschmied, Jiří; Cikhart, J.; Klír, D.; Kubeš, P.; Řezáč, K.; Krouský, Eduard; Pfeifer, Miroslav; Skála, Jiří
2015-01-01
Roč. 33, č. 3 (2015), s. 379-386. ISSN 0263-0346 R&D Projects: GA MŠk ED1.1.00/02.0061; GA MŠk(CZ) LD14089 EU Projects: European Commission(XE) 284464 - LASERLAB-EUROPE Grant ostatní: ELI Beamlines(XE) CZ.1.05/1.1.00/02.0061; AVČR(CZ) M100101208 Institutional support: RVO:68378271 ; RVO:61389021 Keywords : ablator atomic number * crater volume * laser energy transfer * plasma ablative pressure Subject RIV: BL - Plasma and Gas Discharge Physics; BH - Optics, Masers, Lasers (UFP-V) Impact factor: 1.295, year: 2014
El-Orany, Faisal A. A.
2006-11-01
In this paper, we study the evolution of two two-level atoms interacting with a single-mode quantized radiation field, namely, the two-atom multiphoton Jaynes-Cummings model (JCM). We assume that the field and the atoms are initially prepared in the superposition of displaced number states and excited atomic states, respectively. For this system, we investigate the atomic inversion, Wigner function, phase distribution and entanglement. We show that for symmetric (asymmetric) atoms, the system can generate asymmetric (symmetric) cat states at a quarter of the revival time. Furthermore, the degrees of entanglement for the field-atoms and the one-atom-remainder tangles depend on the rate of energy flow between the parties. The interference in phase space decreases the degree of entanglement in the bipartite.
Local atomic order, electronic structure and electron transport properties of Cu-Zr metallic glasses
International Nuclear Information System (INIS)
We studied atomic and electronic structures of binary Cu-Zr metallic glasses (MGs) using combined experimental and computational methods including X-ray absorption fine structure spectroscopy, electrical resistivity, thermoelectric power (TEP) measurements, molecular dynamics (MD) simulations, and ab-initio calculations. The results of MD simulations and extended X-ray absorption fine structure analysis indicate that atomic order of Cu-Zr MGs and can be described in terms of interpenetrating icosahedral-like clusters involving five-fold symmetry. MD configurations were used as an input for calculations of theoretical electronic density of states (DOS) functions which exhibits good agreement with the experimental X-ray absorption near-edge spectra. We found no indication of minimum of DOS at Fermi energy predicted by Mott's nearly free electron (NFE) model for glass-forming alloys. The theoretical DOS was subsequently used to test Mott's model describing the temperature variation of electrical resistivity and thermoelectric power of transition metal-based MGs. We demonstrate that the measured temperature variations of electrical resistivity and TEP remain in a contradiction with this model. On the other hand, the experimental temperature dependence of electrical resistivity can be explained by incipient localization of conduction electrons. It is shown that weak localization model works up to relatively high temperatures when localization is destroyed by phonons. Our results indicate that electron transport properties of Cu-Zr MGs are dominated by localization effects rather than by electronic structure. We suggest that NFE model fails to explain a relatively high glass-forming ability of binary Cu-Zr alloys.
International Nuclear Information System (INIS)
The effects of the 4f shell of electrons and the relativity of valence electrons are compared. The effect of 4f shell (lanthanide contraction) is estimated from the numerical Hartree-Fock (HF) calculations of pseudo-atoms corresponding to Hf, Re, Au, Hg, Tl, Pb and Bi without 4f electrons and with atomic numbers reduced by 14. The relativistic effect estimated from the numerical Dirac-Hartree-Fock (DHF) calculations of those atoms is comparable in the magnitude with that of the 4f shell of electrons. Both are larger for 6s than for 5d or 6p electrons. The various relativistic effects on valence electrons are discussed in detail to determine the proper level of the approximation for the valence electron calculations of systems with heavy elements. An effective core potential system has been developed for heavy atoms in which relativistic effects are included in the effective potentials
Energy Technology Data Exchange (ETDEWEB)
Lee, Y.S.
1977-11-01
The effects of the 4f shell of electrons and the relativity of valence electrons are compared. The effect of 4f shell (lanthanide contraction) is estimated from the numerical Hartree-Fock (HF) calculations of pseudo-atoms corresponding to Hf, Re, Au, Hg, Tl, Pb and Bi without 4f electrons and with atomic numbers reduced by 14. The relativistic effect estimated from the numerical Dirac-Hartree-Fock (DHF) calculations of those atoms is comparable in the magnitude with that of the 4f shell of electrons. Both are larger for 6s than for 5d or 6p electrons. The various relativistic effects on valence electrons are discussed in detail to determine the proper level of the approximation for the valence electron calculations of systems with heavy elements. An effective core potential system has been developed for heavy atoms in which relativistic effects are included in the effective potentials.
International Nuclear Information System (INIS)
In consideration the radiological properties of materials and studying the scattering processes in atomic and nuclear physics, the effective atomic and mass numbers is widely employed. These numbers have been calculated for any mixed or composite materials in interaction with high energy photons (Linac in radiation therapy). A pair equation in terms of these numbers is obtained. The first equation has been derived from the conservation of mass energy law and the second by minimizing the binding energy from the semiempirical mass formula (Myers and Swiatecki formula) that gives a relation between atomic and mass numbers for stable nuclei approximately. By these equations one can obtain the effective atomic and mass numbers for any compound or mixed materials uniquely. These numbers are calculated for some materials and compared with the other studies. (author)
Attosecond dynamics of electron correlation in doubly excited atomic states
International Nuclear Information System (INIS)
We have solved the time-dependent Schroedinger equation describing the simultaneous interaction of the He 1s2s 1S state with two laser-generated pulses of trapezoidal or Gaussian shape, of duration 86 fs and of frequencies ω1=1.453 au and ω2=1.781 au. The system is excited to the energy region of two strongly correlated doubly excited states, chosen for this study according to specific criteria. It is demonstrated quantitatively that, provided one focuses on the dynamics occurring within the attosecond timescale, the corresponding orbital configurations, 2s2p and 2p3d 1P0, exist as nonstationary states, with occupation probabilities that are oscillating as the states decay exponentially into the 1sεp continuum, during and after the laser-atom interaction. It follows that it is feasible to probe by attosecond pulses the motion of configurations of electrons as they correlate via the total Hamiltonian. For the particular system studied here, the probe pulses could register the oscillating doubly excited configurations by de-exciting to the He 1s3d 1D state, which emits at 6680 A. (author). Letter-to-the-editor
International Nuclear Information System (INIS)
The fully-differential sodium electron excitation experiment has been completed during this contract year. This is a major milestone in our research program, as well as for electron-atom collision physics
Three-dimensional atomic-arrangement reconstruction from an Auger-electron hologram
International Nuclear Information System (INIS)
Current methods for reconstructing three-dimensional atomic arrangements from photoelectron holograms require data sets recorded using multiple incident photon energies. These techniques are thus difficult to apply to Auger-electron holography, since the kinetic energy of the Auger electron is element specific and independent of excitation energy. We propose a scattering pattern extraction algorithm using a maximum-entropy method for reconstructing the three-dimensional atomic arrangement from a single-energy Auger-electron hologram. The algorithm provides a clear atomic image by taking into account the scattering of the electron by nearby atoms and the non-s-wave nature of the Auger electron. We have applied the algorithm to an Auger-electron hologram of Cu(001) recorded at SPring-8's soft x-ray synchrotron radiation beamline BL25SU and succeeded in determining the positions of 102 atoms of the Cu fcc structure
Conduction of molecular electronic devices: Qualitative insights through atom-atom polarizabilities
Energy Technology Data Exchange (ETDEWEB)
Stuyver, T.; Fias, S., E-mail: sfias@vub.ac.be; De Proft, F.; Geerlings, P. [ALGC, Vrije Universiteit Brussel, Pleinlaan 2, 1050 Brussel (Belgium); Fowler, P. W. [Department of Chemistry, University of Sheffield, Sheffield S3 7HF (United Kingdom)
2015-03-07
The atom-atom polarizability and the transmission probability at the Fermi level, as obtained through the source-and-sink-potential method for every possible configuration of contacts simultaneously, are compared for polycyclic aromatic compounds. This comparison leads to the conjecture that a positive atom-atom polarizability is a necessary condition for transmission to take place in alternant hydrocarbons without non-bonding orbitals and that the relative transmission probability for different configurations of the contacts can be predicted by analyzing the corresponding atom-atom polarizability. A theoretical link between the two considered properties is derived, leading to a mathematical explanation for the observed trends for transmission based on the atom-atom polarizability.
The role of electronic excitation in cold atom-ion chemistry
Sullivan, Scott T.; Rellergert, Wade G.; Kotochigova, Svetlana; Hudson, Eric R.
2012-01-01
The role of electronic excitation in charge exchange chemical reactions between ultracold Ca atoms and Ba$^+$ ions, confined in a hybrid trap, is studied. This prototypical system is energetically precluded from reacting in its ground state, allowing a particularly simple interpretation of the influence of electronic excitation. It is found that while electronic excitation of the ion can critically influence the chemical reaction rate, electronic excitation of the neutral atom is less importa...
Low-kilovolt coherent electron diffractive imaging instrument based on a single-atom electron source
Energy Technology Data Exchange (ETDEWEB)
Lin, Chun-Yueh [Department of Physics, National Taiwan University, Taipei 10617, Taiwan (China); Chang, Wei-Tse; Chen, Yi-Sheng; Hwu, En-Te; Chang, Chia-Seng; Hwang, Ing-Shouh, E-mail: ishwang@phys.sinica.edu.tw [Institute of Physics, Academia Sinica, Nankang, Taipei 11529, Taiwan (China); Hsu, Wei-Hao [Department of Materials Science and Engineering, National Tsing Hua University, Hsinchu 30013, Taiwan (China)
2016-03-15
In this work, a transmission-type, low-kilovolt coherent electron diffractive imaging instrument was constructed. It comprised a single-atom field emitter, a triple-element electrostatic lens, a sample holder, and a retractable delay line detector to record the diffraction patterns at different positions behind the sample. It was designed to image materials thinner than 3 nm. The authors analyzed the asymmetric triple-element electrostatic lens for focusing the electron beams and achieved a focused beam spot of 87 nm on the sample plane at the electron energy of 2 kV. High-angle coherent diffraction patterns of a suspended graphene sample corresponding to (0.62 Å){sup −1} were recorded. This work demonstrated the potential of coherent diffractive imaging of thin two-dimensional materials, biological molecules, and nano-objects at a voltage between 1 and 10 kV. The ultimate goal of this instrument is to achieve atomic resolution of these materials with high contrast and little radiation damage.
Low-kilovolt coherent electron diffractive imaging instrument based on a single-atom electron source
International Nuclear Information System (INIS)
In this work, a transmission-type, low-kilovolt coherent electron diffractive imaging instrument was constructed. It comprised a single-atom field emitter, a triple-element electrostatic lens, a sample holder, and a retractable delay line detector to record the diffraction patterns at different positions behind the sample. It was designed to image materials thinner than 3 nm. The authors analyzed the asymmetric triple-element electrostatic lens for focusing the electron beams and achieved a focused beam spot of 87 nm on the sample plane at the electron energy of 2 kV. High-angle coherent diffraction patterns of a suspended graphene sample corresponding to (0.62 Å)−1 were recorded. This work demonstrated the potential of coherent diffractive imaging of thin two-dimensional materials, biological molecules, and nano-objects at a voltage between 1 and 10 kV. The ultimate goal of this instrument is to achieve atomic resolution of these materials with high contrast and little radiation damage
Kurudirek, M.; Büyükyıldız, M.
2016-06-01
The Rayleigh to Compton scattering ratio (R/C) is a very convenient parameter, which can be utilized in material analysis and estimating effective atomic number (Zeff). In the case for a relatively low scattering angle, for which the energy of the Compton scattered photons is not very much different from that of incident photons, the corrections due to self-absorption for Rayleigh and Compton scattering will be roughly equal. Therefore, it enables a result to be obtained which is almost independent of X-ray attenuation inside the sample and it will depend only on the material under investigation. The most frequently used method for calculation of Zeff available in literature is plotting R/C of elements as a function of atomic number and constituting the best fit curve. From this fit curve, the respective Zeff can be determined using R/C of the material. In the present study, we report Zeff of different materials using different methods such as interpolation and direct methods as possible alternatives to the most common fitting method. The results were compared with the experiments wherever possible. The agreement between interpolation method and the fitting method was found to be very satisfactory as relative changes (%) were always less than 9% while the direct method results with somehow significantly higher values of Zeff when compared to the other methods.
Critical radius and critical number of gas atoms for cavities containing a Van der Waals gas
International Nuclear Information System (INIS)
The effect of gas on void nucleation and growth is particularly important for structural materials in fusion reactors because of the high production of helium by neutron-induced transmutation reactions. Gas reduces the critical radius for bias driven growth and there is a critical number of gas atoms, n/sub g/*, at which the critical radius is reduced essentially to zero. The significance of this is that the time interval to the accumulation of n/sub g/* gas atoms may determine the time to the onset of bias driven swelling where n/sub g/* is large. In previous papers these critical quantities were given for an ideal gas. Recently, we presented the results for a Van der Waals gas. Here the derivation of these relations is presented and further results of calculations are given. At low temperatures (high pressures) the results depart from those of the ideal gas, with the critical number affected more strongly than the critical radius. Comparisons are made with earlier calculations
Multiple Electron Capture Processes in Slow Collisions of Ar9＋ Ions with Na Atoms
Institute of Scientific and Technical Information of China (English)
ZhuXiaolong; ShaShan; LiuHuiping; WeiBaoren; MaXinwen; WangZhengling; CaoShiping; QianDongbing; YangZhihu
2003-01-01
Slow collisions of highly charged ions with neutral atoms and molecules are of great importance in basic atomic collision physics, Recently, we built a new research facility for atomic physics at the Institute of Modern Physics. We report here the multiple electron transfer processes in collisions of Ar9+ with Na gas target at energy of 180 keV.
International Nuclear Information System (INIS)
A comprehensive and critically assessed cross section database for the inelastic collision processes of ground state and excited helium atoms colliding with electrons, protons and multiply-charged ions has been prepared at the Data and Planning Center at NIFS. The present report describes the first part of the database containing the recommended data for electron impact excitation and ionization of neutral helium. An states (atomic terms) with n ≤ 4 are treated individually while the states with n > 4 are considered degenerate. For the processes involving transitions to and from n > 4 levels, suitable cross section scaling relations are presented. For a large number of electron impact transitions, both from the ground and excited states, new convergent close coupling (CCC) calculations were performed to achieve a high accuracy of the data. The evaluated/recommended cross section data are presented by analytic fit functions which preserve the correct asymptotic behavior of the cross sections. The cross sections are also displayed in a graphical form. (author)
Directory of Open Access Journals (Sweden)
Alberto Milani
2015-02-01
Full Text Available Graphene, nanotubes and other carbon nanostructures have shown potential as candidates for advanced technological applications due to the different coordination of carbon atoms and to the possibility of π-conjugation. In this context, atomic-scale wires comprised of sp-hybridized carbon atoms represent ideal 1D systems to potentially downscale devices to the atomic level. Carbon-atom wires (CAWs can be arranged in two possible structures: a sequence of double bonds (cumulenes, resulting in a 1D metal, or an alternating sequence of single–triple bonds (polyynes, expected to show semiconducting properties. The electronic and optical properties of CAWs can be finely tuned by controlling the wire length (i.e., the number of carbon atoms and the type of termination (e.g., atom, molecular group or nanostructure. Although linear, sp-hybridized carbon systems are still considered elusive and unstable materials, a number of nanostructures consisting of sp-carbon wires have been produced and characterized to date. In this short review, we present the main CAW synthesis techniques and stabilization strategies and we discuss the current status of the understanding of their structural, electronic and vibrational properties with particular attention to how these properties are related to one another. We focus on the use of vibrational spectroscopy to provide information on the structural and electronic properties of the system (e.g., determination of wire length. Moreover, by employing Raman spectroscopy and surface enhanced Raman scattering in combination with the support of first principles calculations, we show that a detailed understanding of the charge transfer between CAWs and metal nanoparticles may open the possibility to tune the electronic structure from alternating to equalized bonds.
Nodal Quantum Numbers for Two-Electron States in Solids
International Nuclear Information System (INIS)
The problem of construction and physical labelling of singlet and triplet zero total momentum two-electron states in solids is considered. It is shown that the wavefunctions belonging to repeating multi-dimensional irreducible representations can be labelled making use of theorem of induction transitivity. The intermediate group in this classification can be chosen depending on experimental nodal structure of superconducting order parameter. The application of the results to unconventional superconductors is discussed. (author)
Ün, Adem; Han, Ibrahim; Ün, Mümine
2016-04-01
Effective atomic (Zeff) and electron numbers (Neff) for 24 Martian meteorites have been determined in the energy range from 1 keV to 100 GeV and also for sixteen significant energies of commonly used radioactive sources. The values of Zeff and Neff for all sample were obtained from the DirectZeff program. The obtained results for Martian meteorites have been compared with the results for Earth composition and similarities or differences also evaluated.
Energy Technology Data Exchange (ETDEWEB)
Antoniassi, M.; Conceicao, A.L.C. [Departamento de Fisica e Matematica, Faculdade de Filosofia Ciencias e Letras de Ribeirao Preto, Universidade de Sao Paulo, Ribeirao Preto, Sao Paulo (Brazil); Poletti, M.E., E-mail: poletti@ffclrp.usp.br [Departamento de Fisica e Matematica, Faculdade de Filosofia Ciencias e Letras de Ribeirao Preto, Universidade de Sao Paulo, Ribeirao Preto, Sao Paulo (Brazil)
2011-10-01
In this work we have measured Compton and Rayleigh scattering radiation from normal (adipose and fibroglandular), benign (fibroadenoma) and malignant (ductal carcinoma) breast tissues using a monoenergetic beam of 17.44 keV and a scattering angle of 90{sup o} (x=0.99 A{sup -1}). A practical method using the area of Rayleigh and Compton scattering was used for determining the effective atomic number (Z{sub eff}) of the samples, being validated through measurements of several reference materials. The results show that there are differences in the distributions of Z{sub eff} of breast tissues, which are mainly related to the elemental composition of carbon (Z=6) and oxygen (Z=8) of each tissue type. The results suggest that is possible to use the method to characterize the breast tissues permitting study histological features of the breast tissues related to their elemental composition.
International Nuclear Information System (INIS)
In this work we have measured Compton and Rayleigh scattering radiation from normal (adipose and fibroglandular), benign (fibroadenoma) and malignant (ductal carcinoma) breast tissues using a monoenergetic beam of 17.44 keV and a scattering angle of 90o (x=0.99 A-1). A practical method using the area of Rayleigh and Compton scattering was used for determining the effective atomic number (Zeff) of the samples, being validated through measurements of several reference materials. The results show that there are differences in the distributions of Zeff of breast tissues, which are mainly related to the elemental composition of carbon (Z=6) and oxygen (Z=8) of each tissue type. The results suggest that is possible to use the method to characterize the breast tissues permitting study histological features of the breast tissues related to their elemental composition.
Additional Quantum Numbers for Electron Orbitals of Nanoparticles
Yarzhemsky, V. G.
2011-01-01
It is shown that in large symmetrical nanoparticles additional quantum numbers are required to label unambiguously symmetry adapted linear combinations of the wave functions. It is obtained that the labels of irreducible representations (IRs) of intermediate subgroups (between the whole symmetry group and local subgroup) can be used for complete classification of states in the case of repeating IRs. The examples of Oh and Ih groups are considered and the connection of additional quantum numbe...
International Nuclear Information System (INIS)
We calculated mass attenuation coefficients, effective atomic numbers and Kerma relative to air for human organ and tissue substitutes (i.e. wax, plastic and polymer materials). The effective atomic numbers of the tissue substitutes were calculated by the direct method, interpolation method, Auto-Zeff software and single value XMuDat program and then compared. The calculated effective atomic numbers were also compared with available experimental data and a good agreement was observed. A large difference in effective atomic numbers calculated by the direct and interpolation methods was observed in photoelectric and pair-production regions. The direct method was found to be appropriate for effective atomic number computation in low-(>10 keV) and medium-(0.1 ≤ E ≤ 10 MeV) photon energy regions. Kerma relative to air of the selected tissue substitutes was found to be dependent upon the atomic number and element compositions, which show a sharp peak due to K-edge absorption. (authors)
Electron Affinity Calculations for Atoms: Sensitive Probe of Many-Body Effects
Felfli, Z.; Msezane, A. Z.
2016-05-01
Electron-electron correlations and core-polarization interactions are crucial for the existence and stability of most negative ions. Therefore, they can be used as a sensitive probe of many-body effects in the calculation of the electron affinities (EAs) of atoms. The importance of relativistic effects in the calculation of the EAs of atoms has recently been assessed to be insignificant up to Z of 85. Here we use the complex angular momentum (CAM) methodology wherein is embedded fully the electron-electron correlations, to investigate core-polarization interactions in low-energy electron elastic scattering from the atoms In, Sn, Eu, Au and At through the calculation of their EAs. For the core-polarization interaction we use the rational function approximation of the Thomas-Fermi potential, which can be analytically continued into the complex plane. The EAs are extracted from the large resonance peaks in the CAM calculated low-energy electron-atom scattering total cross sections and compared with those from measurements and sophisticated theoretical methods. It is concluded that when the electron-electron correlations and core polarization interactions (both major many-body effects) are accounted for adequately the importance of relativity on the calculation of the EAs of atoms can be assessed. Even for the high Z (85) At atom relativistic effects are estimated to contribute a maximum of 3.6% to its EA calculation.
Scattering of electronically excited metastable rare gas atoms
International Nuclear Information System (INIS)
Low energy collisions of metastable rare gas atoms (mostly He) are reviewed. Principles of the experiment are presented as well as data analysis, excimer systems, excitation transfer collisions and Penning systems
The multi-scattering-Xα method for analysis of the electronic structure of atomic clusters
International Nuclear Information System (INIS)
A computer program, MSXALPHA, has been developed to carry out a quantum-mechanical analysis of the electronic structure of molecules and atomic clusters using the Multi-Scattering-Xα (MSXα) method. The MSXALPHA program is based on a code obtained from the University of Alberta; several improvements and new features were incorporated to increase generality and efficiency. The major ones are: (1) minimization of core memory usage, (2) reduction of execution time, (3) introduction of a dynamic core allocation scheme for a large number of arrays, (4) incorporation of an atomic program to generate numerical orbitals used to construct the initial molecular potential, and (5) inclusion of a routine to evaluate total energy. This report is divided into three parts. The first discusses the theory of the MSXα method. The second gives a detailed description of the program, MSXALPHA. The third discusses the results of calculations carried out for the methane molecule (CH4) and a four-atom zirconium cluster (Zr4)
Son, Sang-Kil; 10.1103/PhysRevA.85.063415
2013-01-01
When atoms and molecules are irradiated by an x-ray free-electron laser (XFEL), they are highly ionized via a sequence of one-photon ionization and relaxation processes. To describe the ionization dynamics during XFEL pulses, a rate equation model has been employed. Even though this model is straightforward for the case of light atoms, it generates a huge number of coupled rate equations for heavy atoms like xenon, which are not trivial to solve directly. Here, we employ the Monte Carlo method to address this problem and we investigate ionization dynamics of xenon atoms induced by XFEL pulses at a photon energy of 4500 eV. Charge state distributions, photo-/Auger electron spectra, and fluorescence spectra are presented for x-ray fluences of up to $10^{13}$ photons/$\\mu$m$^2$. With the photon energy of 4500 eV, xenon atoms can be ionized up to +44 through multiphoton absorption characterized by sequential one-photon single-electron interactions.
Ballance, Connor
2013-05-01
Over the last couple of decades, a number of advanced non-perturbative approaches such as the R-matrix, TDCC and CCC methods have made great strides in terms of improved target representation and investigating fundamental 2-4 electron problems. However, for the electron-impact excitation of near-neutral species or complicated open-shell atomic systems we are forced to make certain compromises in terms of the atomic structure and/or the number of channels included in close-coupling expansion of the subsequent scattering calculation. The availability of modern supercomputing architectures with hundreds of thousands of cores, and the emergence new opportunities through GPU usauge offers one possibility to address some of these issues. To effectively harness this computational power will require significant revision of the existing code structures. I shall discuss some effective strategies within a non-relativistic and relativistic R-matrix framework using the examples detailed below. The goal is to extend existing R-matrix methods from 1-2 thousand close coupled channels to 10,000 channels. With the construction of the ITER experiment in Cadarache, which will have Tungsten plasma-facing components, there is an urgent diagnostic need for the collisional rates for the near-neutral ion stages. In particular, spectroscopic diagnostics of impurity influx require accurate electron-impact excitation and ionisation as well as a good target representation. There have been only a few non-perturbative collisional calculations for this system, and the open-f shell ion stages provide a daunting challenge even for perturbative approaches. I shall present non-perturbative results for for the excitation and ionisation of W3+ and illustrate how these fundamental calculations can be integrated into a meaningful diagnostic for the ITER device. We acknowledge support from DoE fusion.
Time-evolution of many active electrons in slow ion-atom collisions
Energy Technology Data Exchange (ETDEWEB)
Runge, K.; Micha, D.A.
1996-05-01
The previously developed Eikonal/Time-dependent Hartree-Fock method is applied to slow ionic and atomic collisions involving many active electrons. The electronic density matrix is written in a basis of traveling atomic orbitals including s, p, and d-type atomic basis functions. One- and two-electron integrals are calculated in a static basis and transformed to the traveling basis. Electronic orbital polarization parameters are calculated during the collision to determine the degree of electonic orientation and alignment as a function of time. This method is currently being applied to slow collisions of hydrogen, alkali, alkali earth and rare gas atoms and ions, to calculate the time evolution of electronic energy and charge transfer, as well as orbital polarization.
Analysis of Excitation and Ionization of Atoms and Molecules by Electron Impact
Chaudhry, Afzal
2011-01-01
Analysis of Excitation and Ionization of Atoms and Molecules by Electron Impact, by Afzal Chaudhry and Hans Kleinpoppen, describes in detail the measurements of the partial and total doubly differential cross sections for the multiple-ionization of rare gas atoms by electron impact. These measurements show, among other trends, the role of Auger transitions in the production of multiply ionized atoms in the region where the incident electron energy is sufficient to produce inner shell ionization. Other processes like Coster-Kronig transitions and shake off also contribute towards increasing the charge of the ions. As discussed in the book, an incident electron having energy of 6 keV, for example, in a collision with xenon atom can remove up to nine electrons! The measurements of doubly differential cross sections for the dissociative and non-dissociative ionization of hydrogen, sulfur dioxide and sulfur hexa fluoride molecular gases are also explored. The results of the measurements for the sulfur dioxide mole...
Role of negative ion resonances in electron scattering from atoms and molecules
International Nuclear Information System (INIS)
Transient negative ions (resonances) formed during the collision of an electron with an atom or molecule have been extensively studied for over thirty years. The continued interest in these states, both experimentally and theoretically, stems from the profound effects that they can have on electron scattering cross sections and the role that electron-electron correlations play in their formation and quasi-stability. A selective discussion of examples of such resonances, involving one, two and three excited electrons is given for a wide range of atomic and molecular systems. Copyright (1999) CSIRO Australia
International Nuclear Information System (INIS)
In a previous study of projectile Rydberg state excitations in the collisions Be+, Mg+-He at 10-75 keV it was found, for a fixed value of the principal quantum number n, that the ratio of the s, p, and d level cross sections was close to 1:3:5, whereas the f and g level cross sections drop to approximately the same value as for s levels. Blaney and Berry (1976) found essentially the same increase in cross section for electron transfer into excited Li I states in the Li+-H2 collision. In contrast to this behavior, beam-foil excitations oscillate as a function of the orbital angular momentum quantum number with maxima at odd values of l (p, f,...) and minima at even l (s, d, g,...). Since no model is available to describe these features, the measurements have been extended to other systems to test their general validity. A large conjugated molecule (benzene) was chosen as target gas in one experiment to bridge the gap between ion-atom and ion-foil excitations. The data presented here have all been obtained by optical spectrometry. A quasi molecular approach is used to explain the results. (Auth.)
Desorption of H atoms from graphite (0001) using XUV free electron laser pulses
DEFF Research Database (Denmark)
Siemer, B.; Olsen, Thomas; Hoger, T.;
2010-01-01
The desorption of neutral H atoms from graphite with femtosecond XUV pulses is reported. The velocity distribution of the atoms peaks at extremely low kinetic energies. A DFT-based electron scattering calculation traces this distribution to desorption out of specific adsorption sites on graphite......, and identifies the highest vibrational state in the adsorbate potential as a major source for the slow atoms. It is evident that multiple electron scattering processes are required for this desorption. A direct electronic excitation of a repulsive hydrogen-carbon bond seems not to be important....
Local atomic and electronic structure of boron chemical doping in monolayer graphene.
Zhao, Liuyan; Levendorf, Mark; Goncher, Scott; Schiros, Theanne; Pálová, Lucia; Zabet-Khosousi, Amir; Rim, Kwang Taeg; Gutiérrez, Christopher; Nordlund, Dennis; Jaye, Cherno; Hybertsen, Mark; Reichman, David; Flynn, George W; Park, Jiwoong; Pasupathy, Abhay N
2013-10-01
We use scanning tunneling microscopy and X-ray spectroscopy to characterize the atomic and electronic structure of boron-doped and nitrogen-doped graphene created by chemical vapor deposition on copper substrates. Microscopic measurements show that boron, like nitrogen, incorporates into the carbon lattice primarily in the graphitic form and contributes ~0.5 carriers into the graphene sheet per dopant. Density functional theory calculations indicate that boron dopants interact strongly with the underlying copper substrate while nitrogen dopants do not. The local bonding differences between graphitic boron and nitrogen dopants lead to large scale differences in dopant distribution. The distribution of dopants is observed to be completely random in the case of boron, while nitrogen displays strong sublattice clustering. Structurally, nitrogen-doped graphene is relatively defect-free while boron-doped graphene films show a large number of Stone-Wales defects. These defects create local electronic resonances and cause electronic scattering, but do not electronically dope the graphene film. PMID:24032458
Atomic structure and electronic properties of the SixSb100-x phase-change memory material
DEFF Research Database (Denmark)
Verma, Ashok K.; Modak, Paritosh; Svane, Axel;
2011-01-01
The electronic and structural properties of SixSb100-x (x∼16) materials are investigated using first-principles molecular dynamics simulations. Crystalline-liquid-amorphous phase transitions are examined and remarkable changes in the local structure around the Si atoms are found. The average Si...... coordination number 6 (3 long + 3 short Si-Sb bonds) of the crystalline phase changes to 4 (3 long Si-Sb + 1 short Si-Si bonds) by preserving three Si-Sb bonds in both the liquid and the amorphous phases. In the amorphous phase ∼90% of the Si atoms are fourfold coordinated compared to 40% in the liquid. The...
Electron scattering as a tool to study zero-point kinetic energies of atoms in molecules
Moreh, R.; Finkelstein, Y.; Vos, M.
2015-07-01
High resolution electron compton scattering (ECS) is being used to study the atomic momentum distributions and hence the zero-point kinetic energies (ZPKE) of the scattering atoms. Such studies have shown that the scattering is from a single atom of the scattering sample. For an electron beam with a well defined incident energy, the scattered electron energy at any angle from each atomic species is Doppler broadened. The broadening reflects the atomic momentum distribution contributed by both the internal and external motions of the molecular system. By measuring the Doppler broadening of the scattered electron lines it was possible to determine the kinetic energy of the scattering atom including that of its zero-point motion. Thus, the atomic kinetic energies in gases such as H2, D2, HD, CH4 and in H2O, D2O and NH3 were measured and compared with those calculated semi-empirically using the measured optical infra red (IR) and Raman frequencies of the internal vibrations of the molecules. In general, good agreement between the measured and calculated values was found. Electron scattering was also used to study the ratio of e-scattering intensities from the H- and O-atoms in water (H2O), where some anomalies were reported to exist.
Electron scattering as a tool to study zero-point kinetic energies of atoms in molecules
International Nuclear Information System (INIS)
High resolution electron compton scattering (ECS) is being used to study the atomic momentum distributions and hence the zero-point kinetic energies (ZPKE) of the scattering atoms. Such studies have shown that the scattering is from a single atom of the scattering sample. For an electron beam with a well defined incident energy, the scattered electron energy at any angle from each atomic species is Doppler broadened. The broadening reflects the atomic momentum distribution contributed by both the internal and external motions of the molecular system. By measuring the Doppler broadening of the scattered electron lines it was possible to determine the kinetic energy of the scattering atom including that of its zero-point motion. Thus, the atomic kinetic energies in gases such as H2, D2, HD, CH4 and in H2O, D2O and NH3 were measured and compared with those calculated semi-empirically using the measured optical infra red (IR) and Raman frequencies of the internal vibrations of the molecules. In general, good agreement between the measured and calculated values was found. Electron scattering was also used to study the ratio of e-scattering intensities from the H- and O-atoms in water (H2O), where some anomalies were reported to exist
Electron scattering as a tool to study zero-point kinetic energies of atoms in molecules
Energy Technology Data Exchange (ETDEWEB)
Moreh, R., E-mail: moreh@bgu.ac.il [Physics Department, Ben-Gurion University of the Negev, Beer-Sheva 84105 (Israel); Finkelstein, Y. [Nuclear Research Center – Negev, Beer-Sheva 84190 (Israel); Vos, M. [Atomic and Molecular Physics Laboratories, Australian National University, Canberra (Australia)
2015-07-01
High resolution electron compton scattering (ECS) is being used to study the atomic momentum distributions and hence the zero-point kinetic energies (ZPKE) of the scattering atoms. Such studies have shown that the scattering is from a single atom of the scattering sample. For an electron beam with a well defined incident energy, the scattered electron energy at any angle from each atomic species is Doppler broadened. The broadening reflects the atomic momentum distribution contributed by both the internal and external motions of the molecular system. By measuring the Doppler broadening of the scattered electron lines it was possible to determine the kinetic energy of the scattering atom including that of its zero-point motion. Thus, the atomic kinetic energies in gases such as H{sub 2}, D{sub 2}, HD, CH{sub 4} and in H{sub 2}O, D{sub 2}O and NH{sub 3} were measured and compared with those calculated semi-empirically using the measured optical infra red (IR) and Raman frequencies of the internal vibrations of the molecules. In general, good agreement between the measured and calculated values was found. Electron scattering was also used to study the ratio of e-scattering intensities from the H- and O-atoms in water (H{sub 2}O), where some anomalies were reported to exist.
On the proton exchange contribution to electron-hydrogen atom elastic scattering
International Nuclear Information System (INIS)
It is shown that the exchange contribution to the electron-proton potential Born term in elastic electron-hydrogen atom scattering arises as the non relativistic limit from the exchange of a proton between the two participant electrons - calculated from quantum electrodynamics including properly bound states (as solution of Bethe - Salpeter equation). (Author)
Rule, D. W.
1977-01-01
The first Born approximation (FBA) is applied to the calculation of single-electron-loss cross sections for various ions and atoms containing from one to seven electrons. Screened hydrogenic wave functions are used for the states of the electron ejected from the projectile, and Hartree-Fock elastic and incoherent scattering factors are used to describe the target. The effect of the target atom on the scaling of projectile ionization cross sections with respect to the projectile nuclear charge is explored in the case of hydrogenlike ions. Also examined is the scaling of the cross section with respect to the target nuclear charge for electron loss by Fe(25+) in collision with neutral atoms ranging from H to Fe. These results are compared with those of the binary-encounter approximation (BEA) and with the FBA for the case of ionization by completely stripped target ions. Electron-loss cross sections are also calculated for the ions O(i+) (i = 3-7) and N(i+) (i = 0-6) in collision with He targets in the energy range of approximately 0.1 to 100 MeV/nucleon. These results are found to be in excellent agreement with the available data near the peak of the ionization cross section.
Electronic Relaxation Processes of Transition Metal Atoms in Helium Nanodroplets
Kautsch, Andreas; Lindebner, Friedrich; Koch, Markus; Ernst, Wolfgang E.
2014-06-01
Spectroscopy of doped superfluid helium nanodroplets (He_N) gives information about the influence of this cold, chemically inert, and least interacting matrix environment on the excitation and relaxation dynamics of dopant atoms and molecules. We present the results from laser induced fluorescence (LIF), photoionization (PI), and mass spectroscopy of Cr and Cu doped He_N. From these results, we can draw a comprehensive picture of the complex behavior of such transition metal atoms in He_N upon photo-excitation. The strong Cr and Cu ground state transitions show an excitation blueshift and broadening with respect to the bare atom transitions which can be taken as indication for the solvation inside the droplet. From the originally excited states the atoms relax to energetically lower states and are ejected from the He_N. The relaxation processes include bare atom spin-forbidden transitions, which clearly bears the signature of the He_N influence. Two-color resonant two-photon ionization (2CR2PI) also shows the formation of bare atoms and small Cr-He_n and Cu-He_n clusters in their ground and metastable states ^c. Currently, Cr dimer excitation studies are in progress and a brief outlook on the available results will be given. C. Callegari and W. E. Ernst, Helium Droplets as Nanocryostats for Molecular Spectroscopy - from the Vacuum Ultraviolet to the Microwave Regime, in Handbook of High-Resolution Spectroscopy, eds. M. Quack and F. Merkt, John Wiley & Sons, Chichester, 2011. A. Kautsch, M. Koch, and W. E. Ernst, J. Phys. Chem. A, 117 (2013) 9621-9625, DOI: 10.1021/jp312336m F. Lindebner, A. Kautsch, M. Koch, and W. E. Ernst, Int. J. Mass Spectrom. (2014) in press, DOI: 10.1016/j.ijms.2013.12.022 M. Koch, A. Kautsch, F. Lackner, and W. E. Ernst, submitted to J. Phys. Chem. A
Dopita, Michael A; Nicholls, David C; Kewley, Lisa J; Vogt, Frédéric P A
2013-01-01
Recently, \\citet{Nicholls12}, inspired by \\emph{in situ} observations of solar system astrophysical plasmas, suggested that the electrons in \\HII regions are characterised by a $\\kappa$-distribution of electron energies rather than by a simple Maxwell-Boltzmann distribution. Here we have collected together the new atomic data within a modified photoionisation code to explore the effects of both the new atomic data and the $\\kappa$-distribution on the strong-line techniques used to determine chemical abundances in \\HII regions. By comparing the recombination temperatures ($T_{\\rm rec}$) with the forbidden line temperatures ($T_{\\rm FL}$) we conclude that $ \\kappa \\sim 20$. While representing only a mild deviation from equilibrium, this is sufficient to strongly influence abundances determined using methods which depend on measurements of the electron temperature from forbidden lines. We present a number of new emission line ratio diagnostics which cleanly separate the two parameters determining the optical spe...
International Nuclear Information System (INIS)
The absolute number densities of helium atoms in the 2s 3S1 metastable state were determined in four plasma-based ambient desorption/ionization sources by atomic absorption spectroscopy. The plasmas included a high-frequency dielectric barrier discharge (HF-DBD), a low temperature plasma (LTP), and two atmospheric-pressure glow discharges, one with AC excitation and the other with DC excitation. Peak densities in the luminous plumes downstream from the discharge capillaries of the HF-DBD and the LTP were 1.39 × 1012 cm−3 and 0.011 × 1012 cm−3, respectively. Neither glow discharge produced a visible afterglow, and no metastable atoms were detected downstream from the capillary exits. However, densities of 0.58 × 1012 cm−3 and 0.97 × 1012 cm−3 were measured in the interelectrode regions of the AC and DC glow discharges, respectively. Time-resolved measurements of metastable atom densities revealed significant random variations in the timing of pulsed absorption signals with respect to the voltage waveforms applied to the discharges. - Highlights: • We determine He metastable number densities for four plasma types • The highest number densities were observed in a dielectric barrier discharge • No helium metastable atoms were observed downstream from the exits of glow discharges
X-ray emission from a high-atomic-number z-pinch plasma created from compact wire arrays
International Nuclear Information System (INIS)
Thermal and nonthermal x-ray emission from the implosion of compact tungsten wire arrays, driven by 5 MA from the Saturn accelerator, are measured and compared with LLNL Radiation-Hydro-Code (RHC) and SNL Hydro-Code (HC) numerical models. Multiple implosions, due to sequential compressions and expansions of the plasma, are inferred from the measured multiple x-radiation bursts. Timing of the multiple implosions and the thermal x-ray spectra measured between 1 and 10 keV are consistent with the RHC simulations. The magnitude of the nonthermal x-ray emission measured from 10 to 100 keV ranges from 0.02 to 0.08% of the total energy radiated and is correlated with bright-spot emission along the z-axis, as observed in earlier Gamble-11 single exploding-wire experiments. The similarities of the measured nonthermal spectrum and bright-spot emission with those measured at 0.8 MA on Gamble-II suggest a common production mechanism for this process. A model of electron acceleration across magnetic fields in highly-collisional, high-atomic-number plasmas is developed, which shows the existence of a critical electric field, Ec, below which strong nonthermal electron creation (and the associated nonthermal x rays) do not occur. HC simulations show that significant nonthermal electrons are not expected in this experiment (as observed) because the calculated electric fields are at least one to two orders-of-magnitude below Ec. These negative nonthermal results are confirmed by RHC simulations using a nonthermal model based on a Fokker-Plank analysis. Lastly, the lower production efficiency and the larger, more irregular pinch spots formed in this experiment relative to those measured on Gamble II suggest that implosion geometries are not as efficient as single exploding-wire geometries for warm x-ray production
International Nuclear Information System (INIS)
A Cu–Co composite material is chosen as a model system to study structural evolution and phase formations during severe plastic deformation. The evolving microstructures as a function of the applied strain were characterized at the micro-, nano-, and atomic scale-levels by combining scanning electron microscopy and transmission electron microscopy including energy-filtered transmission electron microscopy and electron energy-loss spectroscopy. The amount of intermixing between the two phases at different strains was examined at the atomic scale using atom probe tomography as complimentary method. It is shown that Co particles are dissolved in the Cu matrix during severe plastic deformation to a remarkable extent and their size, number, and volume fraction were quantitatively determined during the deformation process. From the results, it can be concluded that supersaturated solid solutions up to 26 at.% Co in a fcc Cu–26 at.% Co alloy are obtained during deformation. However, the distribution of Co was found to be inhomogeneous even at the highest degree of investigated strain. - Highlights: • Structural evolution in a deformed Cu–Co composite is studied on all length scales. • Amount of intermixing is examined by atom-probe tomography. • Supersaturated solid solutions up to 26 at.% Co in Cu are observed
Effects of the atomic environment on the electron binding energies in samarium
Czech Academy of Sciences Publication Activity Database
Inoyatov, A. K.; Kovalík, Alojz; Filosofov, D. V.; Ryšavý, Miloš; Vénos, Drahoslav; Yushkevich, Y. V.; Perevoshchikov, L. L.; Zhdanov, V. S.
2016-01-01
Roč. 207, FEB (2016), s. 38-49. ISSN 0368-2048 R&D Projects: GA ČR(CZ) GAP203/12/1896; GA MŠk LG14004 Institutional support: RVO:61389005 Keywords : Sm-149 * atomic environment * electron ginding energy * intermediate-valence state * chemical shift * natural atomic level width Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders Impact factor: 1.436, year: 2014
Ionization of hydrogen atom by electron impact in the presence of elliptically polarized laser field
International Nuclear Information System (INIS)
The problem of ionization in electron hydrogen atom collision in the presence of elliptically polarized laser field, is investigated. The use of the higher order modification of the atomic bound state wave function shows that there is a strong enhancement in the cross section when the laser frequency is half the atomic transition frequency. The dependence of the cross section on the polarization of the laser field is also discussed. (author). 3 refs., 2 figs
A novel route to Bose-Einstein condensation of two-electron atoms
Halder, Purbasha; Yang, Chih-Yun; Hemmerich, Andreas
2012-01-01
We present a novel route to Bose-Einstein condensation devised for two-electron atoms, which do not admit practicable cooling techniques based upon narrow intercombination lines. A dipole trap for $^{40}$Ca atoms in the singlet ground state is loaded from a moderately cold source of metastable triplet atoms via spatially and energetically selective optical pumping permitting four orders of magnitude increase of the phase space density. Further cooling to quantum degeneracy is achieved by forc...
Atomic-Scale Control of Electron Transport through Single Molecules
DEFF Research Database (Denmark)
Wang, Y. F.; Kroger, J.; Berndt, R.;
2010-01-01
Tin-phthalocyanine molecules adsorbed on Ag(111) were contacted with the tip of a cryogenic scanning tunneling microscope. Orders-of-magnitude variations of the single-molecule junction conductance were achieved by controllably dehydrogenating the molecule and by modifying the atomic structure of...
Application of new method to single-electron atom problem
International Nuclear Information System (INIS)
New relativistic method of one-component wave functions applicable to description of fields with arbitrary spins is suggested. The method is used for the problem of energy states of hydrogen-like atoms depending on required accuracy and under different conditions: rough estimate, relativistic correction, fine structure, Zeeman effect in a magnetic field, hyperfine splitting with account of nucleus spin
Electronic interaction anisotropy between atoms in arbitrary angular momentum states
Krems, R.V.; Groenenboom, G.C.; Dalgarno, A.
2004-01-01
A general tensorial expansion for the interaction potential between two atoms in arbitrary angular momentum states is derived and the relations between the expansion coefficients and the Born-Oppenheimer potentials of the diatomic molecule are obtained. It is demonstrated that a complete expansion o
On the relativistic and nonrelativistic electron descriptions in high-energy atomic collisions
Energy Technology Data Exchange (ETDEWEB)
Voitkiv, A.B [Max-Planck-Institut fuer Kernphysik, Saupfercheckweg 1, 69117 Heidelberg (Germany)
2007-07-28
We consider the relativistic and nonrelativistic descriptions of an atomic electron in collisions with point-like charged projectiles moving at relativistic velocities. We discuss three different forms of the fully relativistic first-order transition amplitude. Using the Schroedinger-Pauli equation to describe the atomic electron we establish the correct form of the nonrelativistic first-order transition amplitude. We also show that the so-called semi-relativistic treatment, in which the Darwin states are used to describe the atomic electron, is in fact fully equivalent to the nonrelativistic consideration. The comparison of results obtained with the relativistic and nonrelativistic electron descriptions shows that the latter is accurate within 20-30% up to Z{sub a}{approx}< 50-60, where Z{sub a} is the atomic nuclear charge.
On the relativistic and nonrelativistic electron descriptions in high-energy atomic collisions
Voitkiv, A. B.
2007-07-01
We consider the relativistic and nonrelativistic descriptions of an atomic electron in collisions with point-like charged projectiles moving at relativistic velocities. We discuss three different forms of the fully relativistic first-order transition amplitude. Using the Schrödinger-Pauli equation to describe the atomic electron we establish the correct form of the nonrelativistic first-order transition amplitude. We also show that the so-called semi-relativistic treatment, in which the Darwin states are used to describe the atomic electron, is in fact fully equivalent to the nonrelativistic consideration. The comparison of results obtained with the relativistic and nonrelativistic electron descriptions shows that the latter is accurate within 20-30% up to Za<~ 50-60, where Za is the atomic nuclear charge.
Electronic, mechanical and optical properties of atomically thin tow-dimensional crystals
Directory of Open Access Journals (Sweden)
A. Castellanos-Gómez
2012-03-01
Full Text Available This work is devoted to the study of electronic and mechanical properties of crystalline atomically thin two-dimensional sheets, such as graphene, MoS2, NbSe2 and mica by scanning probe microscopy.
Investigation of Linear Tetra-Atomic Negative Ion by Photodetached-Electron Spectra
Institute of Scientific and Technical Information of China (English)
A.Rahman; Iftikhar Ahmad; A.Afaq; M.Haneef; H.J.Zhao
2011-01-01
@@ Photodetachment spectra from a linear tetra-atomic negative ion is investigated by treating the detached-electron wave function quantum mechanically.A plane polarized laser light, perpendicular to the axis of the ion, is used to detach the electron from the ion.Analytical expressions for the electron flux and total photodetachment cross section are derived.The electron flux on screen shows strong-energy-dependent oscillations with different frequencies.The total cross section of the tetra-atomic negative ion reduces the cross section of mono-atomic,diatomic and triatomic negative ions for high energy photons, while for low energy photons it becomes four times the cross section of mono-atomic negative ions.
Proceedings of the 2. Latin American Meeting on Atomic, Molecular and Electronic Collisions
International Nuclear Information System (INIS)
Annals of the II Latin American Meeting on Atomic, Molecular and Electronic Collisions. Over than 50 people from Latin America participated on this meeting giving talks on different subjects (theoretical and experimental), related to atomic and molecular physics, as well as, nuclear physics. (A.C.A.S.)
Electron-Stimulated Emission of Na Atoms from NaCl Nanocube Corners
Ceresoli, D.; Zykova-Timan, T.; Tosatti, E.
2006-01-01
We performed first principles density functional calculations and simulations of magic-size neutral NaCl nanocubes, and computed the the extraction of a Na neutral corner atom after donating an electron. The atomic structure of the resulting Na corner vacancy is presented.
International Nuclear Information System (INIS)
The values of buildup factors for specified energy above K-edges and penetration distance vary smoothly with respect to atomic number, and the geometrical progression (G-P) parameters behave also similarly. An interpolation of buildup factors for an arbitrary elemental material was examined using the G-P parameters for an equivalent atomic number, where the G-P parameters are data fitted to the proposed American National Standard buildup factor data compilation of 17 elements from Be to Mo calculated by the moments method and those for 8 elements of Fe, Mo, Sn, La, Gd, W, Pb and U, including bremsstrahlung and fluorescence, calculated by the PALLAS code. It has been confirmed through various tests over a wide range of atomic number that the values of the buildup factors generated by interpolated G-P parameters can accurately reproduce the basic data calculated directly over the full range of energy within a few percent. The values of equivalent atomic number for mixture materials, such as water, air, concrete and lead glass of the density 4.36, are determined from a ratio of scattering cross section to the total attenuation coefficient. The buildup factors for these materials calculated using the G-P parameters, interpolated by the equivalent atomic number, are in good agreement with the basic data, except the buildup factors for lead glass to γ-ray energy above 3 MeV. (author)
Energy Technology Data Exchange (ETDEWEB)
Khater, Antoine; Szczesniak, Dominik [Laboratoire de Physique de l' Etat Condense UMR 6087, Universite du Maine, 72085 Le Mans (France)
2011-04-01
An analytical model is presented for the electronic conductance in a one dimensional atomic chain across an isolated defect. The model system consists of two semi infinite lead atomic chains with the defect atom making the junction between the two leads. The calculation is based on a linear combination of atomic orbitals in the tight-binding approximation, with a single atomic one s-like orbital chosen in the present case. The matching method is used to derive analytical expressions for the scattering cross sections for the reflection and transmission processes across the defect, in the Landauer-Buttiker representation. These analytical results verify the known limits for an infinite atomic chain with no defects. The model can be applied numerically for one dimensional atomic systems supported by appropriate templates. It is also of interest since it would help establish efficient procedures for ensemble averages over a field of impurity configurations in real physical systems.
Effect of electron exchange on atomic ionization in a strong electric field
Amusia, M. Ya.
2009-01-01
Hartree-Fock atom in a strong electric static field is considered. It is demonstrated that exchange between outer and inner electrons, taken into account by the so-called Fock term affects strongly the long-range behavior of the inner electron wave function. As a result, it dramatically increases its probability to be ionized. A simple model is analyzed demonstrating that the decay probability, compared to the case of a local (Hartree) atomic potential, increases by many orders of magnitude. ...
International Nuclear Information System (INIS)
We report the first atomic scale imaging and spectroscopic measurements of electron trap states in completely non-conducting surfaces by dynamic tunnelling force microscopy/spectroscopy. Single electrons are dynamically shuttled to/from individual states in thick films of hafnium silicate and silicon dioxide. The new method opens up surfaces that are inaccessible to the scanning tunnelling microscope for imaging and spectroscopy on an atomic scale.
Vacuum polarization in hydrogen like relativistic atom: g-factor of bound electrons
International Nuclear Information System (INIS)
The vacuum polarization contribution to the bound electron g-factor of the hydrogen-like atom basic state is considered. The finite expression for the correction is obtained in terms of the summarized hypergeometric functions and it represents the Zα parameters function and orbital particle (electron or muon) relation to the particle mass in the vacuum loop. Various asymptotes of the obtained expression both for ordinary and muon atoms are presented
Correspondences between the Classical Electrostatic Thomson Problem and Atomic Electronic Structure
LaFave, Tim
2014-01-01
Correspondences between the Thomson Problem and atomic electron shell-filling patterns are observed as systematic non-uniformities in the distribution of potential energy necessary to change configurations of $N\\le 100$ electrons into discrete geometries of neighboring $N-1$ systems. These non-uniformities yield electron energy pairs, intra-subshell pattern similarities with empirical ionization energy, and a salient pattern that coincides with size-normalized empirical ionization energies. Spatial symmetry limitations on discrete charges constrained to a spherical volume are conjectured as underlying physical mechanisms responsible for shell-filling patterns in atomic electronic structure and the Periodic Law.
Influence of electron motion in target atom on stopping power for low-energetic ions
Directory of Open Access Journals (Sweden)
Stevanović Nenad
2012-01-01
Full Text Available In this paper the stopping power was calculated, representing the electrons of the target atom as an assembly of quantum oscillators. It was considered that the electrons in the atoms have some velocity before interaction with the projectile, which is the main contribution of this paper. The influence of electron velocity on stopping power for different projectiles and targets was investigated. It was found that the velocity of the electron stopping power has the greatest influence at low energies of the projectile.
Hypernuclei formation probability as a function of the atomic mass number A
Bonomi, G.; Finuda Collaboration
2012-09-01
The creation of a hypernucleus [2], that is a nucleus in which a nucleon is replaced by an hyperon, requires the injection of strangeness into the nucleus. This is possible in different ways [3], mainly using π+ or K- beams on nuclear targets; recently, also electron beams have been used. The FINUDA experiment at the DAΦNE Φ factory of the INFN "Laboratori Nazionali di Frascati" produced Λ-hypernuclei by stopping, in thin nuclear targets (0.1-0.2 g/cm2), the negative kaons originating from the Φ decay through the strangeness-exchange reaction Kstop-+AZ→A/ΛZ+π-, where AZ indicates the target nucleus and A/ΛZ the Λ hypernucleus in which a Λ particle replaced a neutron. FINUDA, an unconventional and innovative apparatus, allowed the positioning of 8 different target modules around the interaction region. In this way different targets could be studied contemporaneously, with the same apparatus and with the same analysis technique, allowing for a direct comparison between different nuclei. In particular FINUDA could study the production of Λ-hypernuclei on 7Li, 9Be, 12C, 13C and 16O targets. Both the Λ binding energy and the hypernuclei production probabilities have been measured [1]. The new measurements on 7/ΛLi, 9/ΛBe, 13/ΛC and 16/ΛO, along with previous measurements on 12/ΛC, allowed for a meaningful study of the formation of p-shell hypernuclei from the two-body capture of K- at rest, giving for the first time the possibility of disentangling the effects due to atomic wave-function of the captured K- from those due to the pion optical nuclear potential and from those due to the specific hypernuclear states [4].
Electronic excitations in solids during impact of atomic particles
Czech Academy of Sciences Publication Activity Database
Šroubek, Zdeněk; Lörinčík, Jan
2000-01-01
Roč. 56, č. 4 (2000), s. 263-267. ISSN 0042-207X R&D Projects: GA AV ČR IAA1067801; GA ČR GA202/99/0881 Institutional research plan: CEZ:AV0Z2067918 Keywords : secondary ion mass spectroscopy * ionisation Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders Impact factor: 0.520, year: 2000
Atomic Resolution Imaging with a sub-50 pm Electron Probe
Energy Technology Data Exchange (ETDEWEB)
Erni, Rolf P.; Rossell, Marta D.; Kisielowski, Christian; Dahmen, Ulrich
2009-03-02
Using a highly coherent focused electron probe in a 5th order aberration-corrected transmission electron microscope, we report on resolving a crystal spacing less than 50 pm. Based on the geometrical source size and residual coherent and incoherent axial lens aberrations, an electron probe is calculated, which is theoretically capable of resolving an ideal 47 pm spacing with 29percent contrast. Our experimental data show the 47 pm spacing of a Ge 114 crystal imaged with 11-18percent contrast at a 60-95percent confidence level, providing the first direct evidence for sub 50-pm resolution in ADF STEM imaging.
Institute of Scientific and Technical Information of China (English)
Shao Qing-Yi; Zhang Juan
2011-01-01
In vapour deposition,single atoms(adatoms)on the substrate surface are the main source of growth.The change in its density plays a decisive role in the growth of thin films and quantum size islands.In the nucleation and cluster coalescence stages of vapour deposition,the growth of stable clusters occurs on the substrate surface covered by stable clusters.Nucleation occurs in the non-covered part,while the total area covered by stable clusters on the substrate surface will gradually increase.Carefully taking into account the coverage effect,a revised single atom density rate equation is given for the famous and widely used thin-film rate equation theory,but the work of solving the revised equation has not been done.In this paper,we solve the equation and obtain the single-atom density and capture number by using a uniform depletion approximation.We determine that the single atom density is much lower than that evaluated from the single atom density rate equation in the traditional rate equation theory when the stable cluster coverage fraction is large,and it goes down very fast with an increase in the coverage fraction.The revised equation gives a higher value for the 'average' capture number than the present equation. It also increases with increasing coverage.That makes the preparation of single crystalline thin film materials difficult and the size control of quantum size islands complicated.We also discuss the effect of the revision on coalescence and the number of stable clusters in vapour deposition.
Numbers of Electrons in Solar Flares as Deduced from Microwave and X-Ray Bursts
Institute of Scientific and Technical Information of China (English)
YU Xing-Feng; YAO Jin-Xing
2001-01-01
We discuss whether the numbers of x-ray and radio-produced electrons in solar flares are the same. The number of radio-produced electrons that is estimated with an inhomogeneous source increases by a factor of 103 - 104because of the inhomogeneity and the decreased magnetic field (B ＝ 120 G) of the radio source. The number of x-ray-produced electrons decreases by a factor of 10 - 30 due to the increase of the number density of ions (3 × 1010 cm-3). These are the reasons why the number of radio-produced electrons is approximately equal tothat of x-ray-produced electrons in the 1981 April 27 burst.
An Estimation of the Number and Size of Atoms in a Printed Period
Schaefer, Beth; Collett, Edward; Tabor-Morris, Anne; Croman, Joseph
2011-01-01
Elementary school students learn that atoms are very, very small. Students are also taught that atoms (and molecules) are the fundamental constituents of the material world. Numerical values of their size are often given, but, nevertheless, it is difficult to imagine their size relative to one's everyday surroundings. In order for students to…
A consistent relativistic theory of electron scattering by atoms
International Nuclear Information System (INIS)
We show that the (N + 1)-electron problem defined by the elastic scattering of a projectile electron from a target of N electrons can be reduced to a Dirac-type one-particle equation which has to be solved self-consistently for the (N + 1)-electron states in question. The derivation rests on a relativistic extension of the generalized density functional theory recently put forward by one of the present authors. The four-component spinor equation can be further reduced to a two-component Pauli-type equation without loss of generality. Calculated differential cross sections and scattering induced polarization show very satisfactory agreement with experimental data. This favourable state of affairs can be further improved by applying the refined version of our theory in the present paper. (author)
X-ray emission from a high-atomic-number z-pinch plasma created from compact wire arrays
International Nuclear Information System (INIS)
Thermal and nonthermal x-ray emission from the implosion of compact tungsten wire arrays in 5-MA Saturn discharges is reported. The timing of multiple implosions and the thermal x-ray spectra (1 to 10 keV) agree with 2D radiation-hydrocode simulations. Nonthermal x-ray emission (10 to 100 keV) correlates with pinch spots distributed along the z-axis. The similarities of the measured nonthermal spectrum, yield, and pinch-spot emission with those of 0.8-MA, single-exploded-wire discharges on Gamble-II suggest a common nonthermal-production mechanism. Nonthermal x-ray yields are lower than expected from current scaling of Gamble II results, suggesting that implosion geometries are not as efficient as single-wire geometries for nonthermal x-ray production. The instabilities, azimuthal asymmetries, and inferred multiple implosions that accompany the implosion geometry lead to larger, more irregular pinch spots, a likely reason for reduced nonthermal efficiency. A model for nonthermal-electron acceleration across magnetic fields in highly-collisional, high-atomic-number plasmas combined with 1D hydrocode simulations of Saturn compact loads predicts weak nonthermal x-ray emission. (author). 3 figs., 10 refs
X-ray emission from a high-atomic-number z-pinch plasma created from compact wire arrays
International Nuclear Information System (INIS)
Thermal and nonthermal x-ray emission from the implosion of compact tungsten wire arrays in 5-MA Saturn discharges is reported. The timing of multiple implosions and the thermal x-ray spectra (1 to 10 keV) agree with 2D radiation-hydrocode simulations. Nonthermal x-ray emission (10 to 100 keV) correlates with pinch spots distributed along the z-axis. The similarities of the measured nonthermal spectrum, yield, and pinch-spot emission with those of 0.8-MA, single- exploded-wire discharges on Gamble-II suggest a common nonthermal- production mechanism. Nonthermal x-ray yields are lower than expected from current scaling of Gamble II results, suggesting that implosion geometries are not as efficient as single-wire geometries for nonthermal x-ray production. The instabilities, azimuthal asymmetries, and inferred multiple implosions that accompany the implosion geometry lead to larger, more irregular pinch spots, a likely reason for reduced nonthermal efficiency. A model for nonthermal-electron acceleration across magnetic fields in highly- collisional, high-atomic-number plasmas combined with 1D hydrocode simulations of Saturn compact loads predicts weak nonthermal x-ray emission
Quantum mechanical study of the coupling of plasmon excitations to atomic-scale electron transport
International Nuclear Information System (INIS)
The coupling of optical excitation and electron transport through a sodium atom in a plasmonic dimer junction is investigated using time-dependent density functional theory. The optical absorption and dynamic conductance is determined as a function of gap size. Surface plasmons are found to couple to atomic-scale transport through several different channels including dipolar, multipolar, and charge transfer plasmon modes. These findings provide insight into subnanoscale couplings of plasmons and atoms, a subject of general interest in plasmonics and molecular electronics.
Radiative emission of neutrino pair from nucleus and inner core electrons in heavy atoms
Yoshimura, M
2013-01-01
Radiative emission of neutrino pair (RENP) from atomic states is a new tool to experimentally investigate undetermined neutrino parameters such as the smallest neutrino mass, the nature of neutrino masses (Majorana vs Dirac), and their CP properties. We study effects of neutrino pair emission either from nucleus or from inner core electrons in which the zero-th component of quark or electron vector current gives rise to large coupling. Both the overall rate and the spectral shape of photon energy are given for a few cases of interesting target atoms. Calculated rates exceed those of previously considered target atoms by many orders of magnitudes.
Development of francium atomic beam for the search of the electron electric dipole moment
Directory of Open Access Journals (Sweden)
Sato Tomoya
2014-03-01
Full Text Available For the measurement of the electron electric dipole moment using Fr atoms, a Fr ion-atom conversion is one of the most critical process. An ion-atom converter based on the “orthotropic” type of Fr source has been developed. This converter is able to convert a few keV Fr ion beam to a thermal atomic beam using a cycle of the surface ionization and neutralization. In this article, the development of the converter is reported.
Four shells atomic model to computer the counting efficiency of electron-capture nuclides
International Nuclear Information System (INIS)
The present paper develops a four-shells atomic model in order to obtain the efficiency of detection in liquid scintillation courting, Mathematical expressions are given to calculate the probabilities of the 229 different atomic rearrangements so as the corresponding effective energies. This new model will permit the study of the influence of the different parameters upon the counting efficiency for nuclides of high atomic number. (Author) 7 refs
Atomic holography with electrons and x-rays: Theoretical and experimental studies
International Nuclear Information System (INIS)
Gabor first proposed holography in 1948 as a means to experimentally record the amplitude and phase of scattered wavefronts, relative to a direct unscattered wave, and to use such a open-quotes hologramclose quotes to directly image atomic structure. But imaging at atomic resolution has not yet been possible in the way he proposed. Much more recently, Szoeke in 1986 noted that photoexcited atoms can emit photoelectron of fluorescent x-ray wavefronts that are scattered by neighboring atoms, thus yielding the direct and scattered wavefronts as detected in the far field that can then be interpreted as holographic in nature. By now, several algorithms for directly reconstructing three-dimensional atomic images from electron holograms have been proposed (e.g. by Barton) and successfully tested against experiment and theory. Very recently, Tegze and Faigel, and Grog et al. have recorded experimental x-ray fluorescence holograms, and these are found to yield atomic images that are more free of the kinds of aberrations caused by the non-ideal emission or scattering of electrons. The basic principles of these holographic atomic imaging methods are reviewed, including illustrative applications of the reconstruction algorithms to both theoretical and experimental electron and x-ray holograms. The author also discusses the prospects and limitations of these newly emerging atomic structural probes
The stability and electronic structure of Fe atoms embedded in zigzag graphene nanoribbons
International Nuclear Information System (INIS)
The stability and electronic properties of the Fe atoms embedded in divacancy defects in graphene nanoribbons (GNR) with zigzag-shaped edges have been studied by first-principles calculations. When Fe is positioned in the middle of the ribbon, it has little effect on the edge C atoms, which reserves the flat edges of graphene nanoribbons. On the other hand, when Fe atom is near the edge, structural distortion takes place resulting in tilted-edge structure with low energies. This indicates that the Fe atoms prefer to occupy divacancy sites near the edges. This is also in consistent with the analyses of electronic structures. Meanwhile, our results reveal that embedding Fe atom in the graphene nanoribbons is an effective method to make the GNR possessing metallic properties.
Electronic properties of ordered and disordered linear clusters of atoms and molecules
International Nuclear Information System (INIS)
The electronic properties of one-dimensional clusters of N atoms or molecules have been studied. The model used is similar to the Kronig-Penney model with the potential offered by each ion being approximated by an attractive δ-function. The energy eigenvalues, the eigenstates and the density of states are calculated exactly for a linear cluster of N atoms or molecules. The dependence of these quantities on the various parameters of the problem show interesting behavior. Effects of random distribution of the positions of the atoms and random distribution of the strengths of the potential have also been studied. The results obtained in this paper can have direct applications for linear chains of atoms produced on metal surfaces or for artificially created chains of atoms using scanning tunneling microscope or in studying molecular conduction of electrons across one-dimensional barriers
International Nuclear Information System (INIS)
The theoretical or practical dosimetry involving radiation interactions in humans needs the reliable elemental composition data of body tissues. The object of this research was to obtain the characterization dental hard tissues and to determine its effective atomic number. An analytical research of inorganic composition, from 30 intact human molars, extracted for periodontal reasons, was performed by Neutron Activation Analysis (NAA), ICP/AES, Thermogravimetric (TG) and Differential Thermal Analysis (DTA). The coronal dentin and enamel were separated by two techniques: (1) - mechanically by chipping and breaking by chirurgic hammer, allowed to dry in an electric oven for 5 hours at 160oC. (2) - through by high-running round steel burs. The samples were thoroughly cleaned with distilled deionizer water and sent for analysis in CDTN/CNEN laboratories, Belo Horizonte, Minas Gerais, Brazil. The results showed concentrations of 11 elements measured in dentin and enamel. The five elements of the higher concentration by neutron activation analysis and ICP/AES were Ca, P, Na, Mg and Al. Thermogravimetric analysis of enamel showed a loss of water of hydroxyapatite to 500oC. Thermogravimetric analyses of dentin showed tree temperatures at which mass loss occur. These processes are related to superficial water loss (100oC); organic decomposition and water liberation from hydroxyapaptite (100oC to 600oC); and the beginning of hydroxyapatite decomposition (600oC to 850oC). Differences, in mineral concentration, were found between enamel and dentin, with higher concentrations in enamel. The two techniques proposed to separate dentin and enamel, did not present differences in elements concentration, statement that the high-running round steel burs technique didn't affect the samples. (author)
Institute of Scientific and Technical Information of China (English)
刘洪毓
2007-01-01
Atoms(原子)are all around us.They are something like the bricks (砖块)of which everything is made. The size of an atom is very,very small.In just one grain of salt are held millions of atoms. Atoms are very important.The way one object acts depends on what
Energy Technology Data Exchange (ETDEWEB)
Lopez-Bezanilla, Alejandro
2016-01-20
By means of a multi-scale first-principles approach, a description of the local electronic structure of 2D and narrow phosphorene sheets with various types of modifications is presented. Firtly, a rational argument based on the geometry of the pristine and modified P network, and supported by the Wannier functions formalism is introduced to describe a hybridization model of the P atomic orbitals. Ab initio calculations show that non-isoelectronic foreign atoms form quasi-bound states at varying energy levels and create different polarization states depending on the number of valence electrons between P and the doping atom. The quantum transport properties of modified phosphorene ribbons are further described with great accuracy. The distortions on the electronic bands induced by the external species lead to strong backscattering effects on the propagating charge carriers. Depending on the energy of the charge carrier and the type of doping, the conduction may range from the diffusive to the localized regime. Interstitial defects at vacant sites lead to homogeneous transport fingerprints across different types of doping atoms. We suggest that the relatively low values of charge mobility reported in experimental measurements may have its origin in the presence of defects.
Biomolecular Force Field Parameterization via Atoms-in-Molecule Electron Density Partitioning.
Cole, Daniel J; Vilseck, Jonah Z; Tirado-Rives, Julian; Payne, Mike C; Jorgensen, William L
2016-05-10
Molecular mechanics force fields, which are commonly used in biomolecular modeling and computer-aided drug design, typically treat nonbonded interactions using a limited library of empirical parameters that are developed for small molecules. This approach does not account for polarization in larger molecules or proteins, and the parametrization process is labor-intensive. Using linear-scaling density functional theory and atoms-in-molecule electron density partitioning, environment-specific charges and Lennard-Jones parameters are derived directly from quantum mechanical calculations for use in biomolecular modeling of organic and biomolecular systems. The proposed methods significantly reduce the number of empirical parameters needed to construct molecular mechanics force fields, naturally include polarization effects in charge and Lennard-Jones parameters, and scale well to systems comprised of thousands of atoms, including proteins. The feasibility and benefits of this approach are demonstrated by computing free energies of hydration, properties of pure liquids, and the relative binding free energies of indole and benzofuran to the L99A mutant of T4 lysozyme. PMID:27057643
Chaudhuri, Supriya K.; Modesto-Costa, Lucas; Mukherjee, Prasanta K.
2016-05-01
Detailed investigations on the frequency dependent polarizabilities, transition energies, oscillator strengths, and transition probabilities of two electron systems He, B e2 +, C4 + , and O6 + under electric dipolar (E1) and quadrupolar (E2) excitations have been performed using exponential cosine screened coulomb potential with a view to understand the structural behaviour of such systems due to external confinement produced by plasma environment. Time dependent coupled Hartree-Fock theory within a variational framework has been adopted for studying the first three low lying excited states 1 s2:1Se→1 s n p :1Po (n = 2, 3, 4) and 1 s n d :1De (n = 3, 4, 5) under such excitations. Quantitatively, the effect of confinement produced by the external plasma has been taken care of by considering the change in atomic potential through plasma screening, directly related to the coupling strength of the plasma with the atomic charge cloud. With increased plasma screening, a gradual destabilisation of the energy levels with subsequent reduction of the ionization potential and number of excited states has been observed. Behavioral pattern of the frequency dependent polarizabilities, excitation energies, oscillator strengths, and transition probabilities under systematic increase of the screening has been investigated. Results have been compared thoroughly with those available for free systems and under confinement by exponential cosine screened and screened Coulomb potential.
DFT calculations on atom-specific electronic properties of G/SiC(0001)
Kajihara, M.; Suzuki, T.; Shahed, S. M. F.; Komeda, T.; Minamitani, E.; Watanabe, S.
2016-05-01
We investigate the atom-specific interfacial electronic properties of the epitaxial graphene on Si-terminated SiC substrate using density functional theory (DFT) calculation with van der Waals interaction correction, focusing on the dependency of the local electronic state on the chemical environment. The band structure projected on the respective atomic orbitals of the carbon atoms in the buffer layer and uppermost Si atoms demonstrates that the dangling bonds of these atoms form band structures around the Fermi level. The contribution of each atom to the dangling bond states strongly depends on the chemical environment, i.e., the presence/absence of the interlayer Si-C covalent bond. This difference also affects the atom-specific local density of states of the top-layer graphene through its interaction with the substrate/buffer layer. We demonstrate that the bias voltage dependency of the scanning tunneling spectroscopy (STS) mapping image clearly reflects the presence of the dangling bonds of the buffer layer carbon or uppermost Si atom in the substrate, which would enable the detection of the buried dangling bond with an atomic spatial resolution via STS.
Atomic-scale nanowires: physical and electronic structure
International Nuclear Information System (INIS)
The technology to build and study nanowires with sizes ranging from individual atoms to tens of nanometres has been developing rapidly over the last few years. We survey the motivation behind these developments, and summarize the basics behind quantized conduction. Several of the different experimental techniques and materials systems used in the creation of nanowires are examined, and the range of theoretical methods developed both for examining open systems (especially their conduction properties) and for modelling large systems are considered. We present various noteworthy example results from the field, before concluding with a look at future directions. (topical review)
International Nuclear Information System (INIS)
Highlights: • We develop a 3D atomic image reconstruction algorithm for photoelectron, Auger electron, and internal detector holography. • We examine the shapes of the atomic images reconstructed by using a developed kernel function. • We examine refraction effect at surface, limitation effect of the hologram data, energy resolution effect, and angular resolution effect. • These discussions indicate the experimental requirements to obtain the clear 3D atomic image. - Abstract: Three-dimensional atomic images can be reconstructed from photoelectron, Auger electron, and internal detector electron holograms using a scattering pattern extraction algorithm using the maximum entropy method (SPEA-MEM) that utilizes an integral transform. An integral kernel function for the integral transform is the key to clear atomic image reconstruction. We composed the kernel function using a scattering pattern function and estimated its ability. Image distortion caused by multiple scattering was also evaluated. Four types of Auger electron wave functions were investigated, and the effect of these wave function types was estimated. In addition, we addressed refraction at the surface, the effects of data limitation, and energy and angular resolutions
Energy Technology Data Exchange (ETDEWEB)
Matsushita, Tomohiro, E-mail: matusita@spring8.or.jp [Japan Synchrotron Radiation Research Institute, SPring-8, Sayo, Hyogo 679-5198 (Japan); Matsui, Fumihiko [Graduate School of Materials Science, Nara Institute of Science and Technology, Ikoma, Nara 630-0192 (Japan)
2014-08-15
Highlights: • We develop a 3D atomic image reconstruction algorithm for photoelectron, Auger electron, and internal detector holography. • We examine the shapes of the atomic images reconstructed by using a developed kernel function. • We examine refraction effect at surface, limitation effect of the hologram data, energy resolution effect, and angular resolution effect. • These discussions indicate the experimental requirements to obtain the clear 3D atomic image. - Abstract: Three-dimensional atomic images can be reconstructed from photoelectron, Auger electron, and internal detector electron holograms using a scattering pattern extraction algorithm using the maximum entropy method (SPEA-MEM) that utilizes an integral transform. An integral kernel function for the integral transform is the key to clear atomic image reconstruction. We composed the kernel function using a scattering pattern function and estimated its ability. Image distortion caused by multiple scattering was also evaluated. Four types of Auger electron wave functions were investigated, and the effect of these wave function types was estimated. In addition, we addressed refraction at the surface, the effects of data limitation, and energy and angular resolutions.
International Nuclear Information System (INIS)
This work is composed of 2 parts. The first part is dedicated to the study of ion collisions with atoms or molecules and the second part deals with electron-atom collisions in intense laser radiation. The 2 issues are not so independent as it seems since both involve diffusion processes or the dynamic of electronic structures of atoms and molecules in a non-perturbative framework. The first chapter describes the main collisional processes that happen in ion collisions with atoms and molecules. The eikonal method that is used to compute integral and differential cross-sections is presented in the second chapter. The third chapter reports the various concepts and methods used for studying the dynamics of quantum systems. The fourth chapter deals with the electronic capture in a mono-electronic molecular system and with the interference phenomena that may take place in the differential cross-sections. The fifth chapter studies the ionizing ion-molecule collisions with high impact energy, in such collisions very low amplitude interference structures have been observed experimentally. These structures can be explained by the multiple scattering of the wave packet representing the ejected electron by the 2 centers of the molecular target. The sixth chapter deals with ion-atom collisions in which 2 electrons are active for simple and double electronic capture. The second part of this work begins with chapter 7. The study of electron-atom collisions in intense laser radiation field implies to take into account 3 different interactions: first the interaction between the free electron and the atom, secondly the interaction between the laser field and the incident electron and thirdly, the interaction between the atom and the laser field. The seventh chapter presents a mathematical formalism able to describe the interaction of the atom with the laser field. This formalism is a non-perturbative approach based on the Floquet theorem. In chapter 8 we present an application to
Electron Rydberg wave packets in one-dimensional atoms
Indian Academy of Sciences (India)
Supriya Chatterjee; Amitava Choudhuri; Aparna Saha; B Talukdar
2010-09-01
An expression for the transition probability or form factor in one-dimensional Rydberg atom irradiated by short half-cycle pulse was constructed. In applicative contexts, our expression was found to be more useful than the corresponding result given by Landau and Lifshitz. Using the new expression for the form factor, the motion of a localized quantum wave packet was studied with particular emphasis on its revival and super-revival properties. Closed form analytical expressions were derived for expectation values of the position and momentum operators that characterized the widths of the position and momentum distributions. Transient phase-space localization of the wave packet produced by the application of a single impulsive kick was explicitly demonstrated. The undulation of the uncertainty product as a function of time was studied in order to visualize how the motion of the wave packet in its classical trajectory spreads throughout the orbit and the system becomes nonclassical. The process, however, repeats itself such that the atom undergoes a free evolution from a classical, to a nonclassical, and back to a classical state.
Antibinding of atomic electrons in strong inhomogeneous magnetic fields
Energy Technology Data Exchange (ETDEWEB)
Jakubassa-Amundsen, D. H. [Mathematics Institute, University of Munich, Theresienstrasse 39, D-80333 Munich (Germany)
2011-08-15
The ground-state energy of heavy one-electron ions in an inhomogeneous locally bounded magnetic field is estimated by the variational principle. The ions are described by means of the pseudorelativistic Herbst-Chandrasekhar operator. Two classes of magnetic fields are considered which model a field-free region around the central charge. It is shown that for a certain size of this region the ground-state energy becomes positive and increases strongly with the magnetic field strength. This behavior is in contrast to the two-dimensional case where electrons can be bound by such a field-free region.
Reactivity of H atoms and hydrated electrons with chlorobenzoic acids
DEFF Research Database (Denmark)
Zona, R.; Solar, S.; Getoff, N.; Sehested, Knud; Holcman, Jerzy
2008-01-01
k = (3.5-6) x 10(8) dm(3) Mol(-1) S-1. By reduction with e(-)(aq) fragmentation and chloride release was established for 2- and 4-chlorobenzoic acid, for 3-chlorobenzoic acid the addition of electrons to the carboxylate group was observed by pulse radiolysis. By gamma radiolysis could be proved that...... these radical anions undergo intramolecular electron transfer and quantitave dechlorination. The efficiency in degradation was 4-chlorobenzoic acid > 3-chlorobenzoic acid > 2-chlorobenzoic acid. Benzoic acid was found as final product for all substrates....
On the behavior of scattering phases in collisions of electrons with multi-atomic objects
Amusia, M Ya
2015-01-01
We have studied the energy dependence of several first scattering phases with multi-atomic object. As concrete examples representing the general trends endohedrals Neon inside C60 and Argon inside C60 are considered. It appeared that the presence of an inner atom, either Ne or Ar, qualitatively affects the scattering phases, in spite of the fact that the fullerene consists of 60 carbon atoms, while the atom staffed inside is only one. Calculations are performed in the one-electron Hartree-Fock (HF) and random phase approximation with exchange (RPAE) for the inner atom while the fullerenes shell is substituted by static potential without and with the polarization potential. It appeared that the total endohedral scattering phase is simply a sum of atomic, Ne or Ar, and fullerenes C60 phases, contrary to the intuitive assumption that the total phases on C60 and Neon inside C60 or Ar inside C60 has to be the same.
Effect of vacuum polarization on the excitation of hydrogen atom by electron impact
Directory of Open Access Journals (Sweden)
Sujata Bhattacharyya
1981-01-01
for 1S−2S excitation of the hydrogen atom by electron impact. The excitation amplitude calculated field theoretically is found to be lowered by 0.47t2/(t2+93 where t2=4|P−Q|2, P and Q being the momenta of the incident and scattered electrons respectively.
A simple model for atomic layer doped field-effect transistor (ALD-FET) electronic states
Energy Technology Data Exchange (ETDEWEB)
Mora R, M.E. [Centro de Investigaciones en Optica, Unidad Aguascalientes. Juan de Montoro 207, Zona Centro, 20000 Aguascalientes (Mexico); Gaggero S, L.M. [Escuela de Fisica, Universidad Autonoma de Zacatecas, Av. Preparatoria 301, 98060 Zacatecas (Mexico)
1998-12-31
We propose a simple potential model based on the Thomas-Fermi approximation to reproduce the main properties of the electronic structure of an atomic layer doped field effect transistor. Preliminary numerical results for a Si-based ALD-FET justify why bound electronic states are not observed in the experiment. (Author)
Spectrum of secondary electrons emitted during the nuclear $\\beta^{-}$-decay of the tritium atom
Frolov, Alexei M
2015-01-01
We discuss ionization of the final ${}^{3}$He$^{+}$ ion during the nuclear $\\beta^{-}$-decay of the tritium atom. The velocity spectrum of secondary electrons emitted during such a decay is derived in the explicit form. Our method allows one to determine both the relative and absolute probabilities of formation of the final states with certain velocities of secondary electrons.
de la Calle Negro, A.; Dundas, D.; Taylor, K. T.
2014-01-01
We investigate electron dynamics in the hydrogen atom and the hydrogen molecular ion when exposed to long wavelength laser pulses yet having intensity insufficient to ionize the system. We find that the field is still able to drive the electron, leading to time-dependent interference effects.
ELECTRON-CAPTURE IN HIGHLY-CHARGED ION-ATOM COLLISIONS
MORGENSTERN, R
1993-01-01
An attempt is made to identify the most important mechanisms responsible for the rearrangement of electrons during collisions between multiply charged ions and atoms at keV energies. It is discussed to which extent the influence of binding energy, angular momentum of heavy particles and electrons, a
Hydrogen atom ionization by fast electrons in an external electric field
International Nuclear Information System (INIS)
Hydrogen atom ionization by fast electrons in an external electric field is considered. The oscillative character of ionization is referred to interference effects, occuring under electron transition to states of continuous energy spectrum. These states are described by wave functions in the form of standing waves
Experimental study of inelastic collisions of slow electrons with terbium atoms
International Nuclear Information System (INIS)
The aim of the paper is experimental study of inelastic collisions of slow electrons with terbium atoms (TA) by the intersecting beam method. Data in the cross sections and optical excitation functions of TA in dependence on the electron energy in the range of 0-200 eV are presented. The TA state diagram with investigated transitions is presented too
International Nuclear Information System (INIS)
The Born-Hartree-Bethe approximation for the calculation of total (elastic + inelastic) integral cross section for high-energy electron-atom and electron-molecule scattering containing no free parameter is formulated. Corresponding results are obtained for He, Ne, Ar, Kr, Xe, H2 and N2 and compared with experimental data.
International Nuclear Information System (INIS)
Tunability of capacitive coupling in the Si double-quantum-dot system is discussed by changing the number of electrons in quantum dots (QDs), in which the QDs are fabricated using pattern-dependent oxidation (PADOX) of a Si nanowire and multi-fine-gate structure. A single QD formed by PADOX is divided into multiple QDs by additional oxidation through the gap between the fine gates. When the number of electrons occupying the QDs is large, the coupling capacitance increases gradually and almost monotonically with the number of electrons. This phenomenon is attributed to the gradual growth in the effective QD size due to the increase in the number of electrons in the QDs. On the other hand, when the number of electrons changes in the few-electron regime, the coupling capacitance irregularly changes. This irregularity can be observed even up to 40 electrons. This behavior is attributable the rough structure of Si nano-dots made by PADOX. This roughness is thought to induce complicated change in the electron wave function when an electron is added to or subtracted from a QD
Lolla, Dinesh; Gorse, Joseph; Kisielowski, Christian; Miao, Jiayuan; Taylor, Philip L; Chase, George G; Reneker, Darrell H
2016-01-01
Atomic scale features of polyvinylidene fluoride molecules (PVDF) were observed with aberration corrected transmission electron microscopy. Thin, self-supporting PVDF nanofibers were used to create images that show conformations and relative locations of atoms in segments of polymer molecules, particularly segments near the surface of the nanofiber. Rows of CF2 atomic groups, at 0.25 nm intervals, which marked the paths of segments of the PVDF molecules, were seen. The fact that an electron microscope image of a segment of a PVDF molecule depended upon the particular azimuthal direction, along which the segment was viewed, enabled observation of twist around the molecular axis. The 0.2 nm side-by-side distance between the two fluorine atoms attached to the same carbon atom was clearly resolved. Morphological and chemical changes produced by energetic electrons, ranging from no change to fiber scission, over many orders of magnitude of electrons per unit area, promise quantitative new insights into radiation chemistry. Relative movements of segments of molecules were observed. Promising synergism between high resolution electron microscopy and molecular dynamic modeling was demonstrated. This paper is at the threshold of growing usefulness of electron microscopy to the science and engineering of polymer and other molecules. PMID:26369731
Atomic and electronic structure of MoS2 nanoparticles
DEFF Research Database (Denmark)
Bollinger, Mikkel; Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet
2003-01-01
edges. The electronic structure of the edge states is studied and we discuss their influence on the chemical properties of the edges. In particular, we study the reactivity towards hydrogen and show that hydrogen may form stable chemical bonds with both the two low-Miller indexed edges of MoS2. A model...
Electron emission in collisions of intermediate energy ions with atoms
International Nuclear Information System (INIS)
The aim of this work, is the analysis of the processes of electronic emission produced in the collisions of small ions (H+, He++) of intermediate energy (50 a 200 KeV/amu) with light gaseous targets. (A.C.A.G.)
Ding, Yi; Wang, Yanli
2016-08-17
Germanium monochalcogenides, i.e. GeS and GeSe sheets, are isoelectronic analogues of phosphorene, which have been synthesized in recent experiments (P. Ramasamy et al., J. Mater. Chem. C, 2016, 4, 479). Utilizing first-principles calculations, we have investigated their tunable electronic and magnetic properties via light non-metallic atom (B, C, N, O, Si, P, S) functionalization. We find that on these GeS and GeSe sheets O and S adatoms prefer to locate at the top site above the Ge atom, while the other ones like to occupy the anion site, which push the original S/Se atom to the hollow site instead. O and S adatoms slightly affect the semiconducting behaviour of the doped systems, while B, C, N, Si, P ones will drastically modify their band structures and induce versatile spintronic properties. Through the supercell calculations, B and C adatoms are found to induce a bipolar semiconducting behaviour in the decorated systems, while the N/P adatom will cause a spin-gapless-semiconducting/nearly-half-metallic feature in them. The B/C/N/Si/P-substituted GeS/GeSe sheet can be formed by removing the hollow-site S/Se atom from the adatom-decorated structures, which exhibit an opposite semiconducting/metallic behaviour to their phosphorene counterparts. A general odd-even rule is proposed for this phenomenon, which shows that an odd (even) number of valence electron difference between the substitution and host atoms would cause a metallic (semiconducting) feature in the substituted systems. Our study demonstrates that atom functionalization is an efficient way to tailor the properties of GeS and GeSe nanosheets, which have adaptable electronic properties for potential applications in nanoelectronics and spintronics. PMID:27491896
Stimulated Raman Adiabatic Passage for Improved Performance of a Cold Atom Electron and Ion Source
Sparkes, B M; Taylor, R J; Spiers, R W; McCulloch, A J; Scholten, R E
2016-01-01
We experimentally implement high-efficiency coherent excitation to a Rydberg state using stimulated Raman adiabatic passage in a cold atom electron and ion source, leading to a peak efficiency of 85%, a 1.7 times improvement in excitation probability relative to incoherent pulsed-laser excitation. Using streak measurements and pulsed electric field ionization of the Rydberg atoms we demonstrate electron bunches with duration of 250 ps. High-efficiency excitation will increase source brightness, crucial for ultrafast electron diffraction experiments, while using coherent excitation to high-lying Rydberg states could allow for the reduction of internal bunch heating and the creation of a high-speed single ion source.
Exact semi-relativistic model for ionization of atomic hydrogen by electron impact
Attaourti, Y.; Taj, S.; Manaut, B.
2004-01-01
We present a semi-relativistic model for the description of the ionization process of atomic hydrogen by electron impact in the first Born approximation by using the Darwin wave function to describe the bound state of atomic hydrogen and the Sommerfeld-Maue wave function to describe the ejected electron. This model, accurate to first order in $Z/c$ in the relativistic correction, shows that, even at low kinetic energies of the incident electron, spin effects are small but not negligible. Thes...
The ionized electron return phenomenon of Rydberg atom in crossed-fields
Dong, Chengwei; Wang, Peijie; Du, Mengli; Uzer, Turgay; Lan, Yueheng
2016-05-01
Rydberg atom is highly excited with one valence electron being in a high quantum state, which is very far away from the nucleus. The energy level is similar to that of the hydrogen atom. Introducing externally perpendicular electric and magnetic fields breaks the rotation symmetry and the traditional view is that the ionized electron crosses from the bound into the unbound region and will never return. However, we find that when the field is strong enough, the electron does not move off to infinity and there is a certain possibility of return. Three new periodic orbits are found by the variational method and the physical significance of the phenomenon is also discussed.
Atomic resolution electrostatic potential mapping of graphene sheets by off-axis electron holography
Energy Technology Data Exchange (ETDEWEB)
Cooper, David, E-mail: david.cooper@cea.fr [University Grenoble Alpes, F-38000 Grenoble (France); CEA, LETI, MINATEC Campus, F-38054, Grenoble (France); Pan, Cheng-Ta; Haigh, Sarah [School of Materials, The University of Manchester, Manchester M13 9PL (United Kingdom)
2014-06-21
Off-axis electron holography has been performed at atomic resolution with the microscope operated at 80 kV to provide electrostatic potential maps from single, double, and triple layer graphene. These electron holograms have been reconstructed in order to obtain information about atomically resolved and mean inner potentials. We propose that off-axis electron holography can now be used to measure the electrical properties in a range of two-dimensional semiconductor materials and three dimensional devices comprising stacked layers of films to provide important information about their electrical properties.
Electronic and atomic structure of the AlnHn+2 clusters
DEFF Research Database (Denmark)
Martinez, Jose Ignacio; Alonso, J.A.
2008-01-01
polyhedron of n vertices and n H atoms form strong H-Al terminal bonds; one pair of electrons is involved in each of those bonds. The remaining n+1 electron pairs form a delocalized cloud over the surface of the Al cage. The clusters fulfilling the Wade-Mingos rule have wider HOMO-LUMO gaps and are......The electronic and atomic structure of the family of hydrogenated Al clusters AlnHn+2 with n=4-11 has been studied using the density functional theory with the generalized gradient approximation (GGA) for exchange and correlation. All these clusters have substantial gaps between the highest...
Empirical model for electron impact ionization cross sections of neutral atoms
International Nuclear Information System (INIS)
A simple empirical formula is proposed for the rapid calculation of electron impact total ionization cross sections both for the open- and closed-shell neutral atoms considered in the range 1 ≤ Z ≤ 92 and the incident electron energies from threshold to about 104 eV. The results of the present analysis are compared with the available experimental and theoretical data. The proposed model provides a fast method for calculating fairly accurate electron impact total ionization cross sections of atoms. This model may be a prudent choice, for the practitioners in the field of applied sciences e.g. in plasma modeling, due to its simple inherent structure. (authors)
International Nuclear Information System (INIS)
Completed by recent contributions on various topics (atoms and the Brownian motion, the career of Jean Perrin, the evolution of atomic physics since Jean Perrin, relationship between scientific atomism and philosophical atomism), this book is a reprint of a book published at the beginning of the twentieth century in which the author addressed the relationship between atomic theory and chemistry (molecules, atoms, the Avogadro hypothesis, molecule structures, solutes, upper limits of molecular quantities), molecular agitation (molecule velocity, molecule rotation or vibration, molecular free range), the Brownian motion and emulsions (history and general features, statistical equilibrium of emulsions), the laws of the Brownian motion (Einstein's theory, experimental control), fluctuations (the theory of Smoluchowski), light and quanta (black body, extension of quantum theory), the electricity atom, the atom genesis and destruction (transmutations, atom counting)
Imaging screw dislocations at atomic resolution by aberration-corrected electron optical sectioning
Yang, H.; Lozano, J. G.; Pennycook, T. J.; Jones, L.; Hirsch, P. B.; Nellist, P. D.
2015-06-01
Screw dislocations play an important role in materials' mechanical, electrical and optical properties. However, imaging the atomic displacements in screw dislocations remains challenging. Although advanced electron microscopy techniques have allowed atomic-scale characterization of edge dislocations from the conventional end-on view, for screw dislocations, the atoms are predominantly displaced parallel to the dislocation line, and therefore the screw displacements are parallel to the electron beam and become invisible when viewed end-on. Here we show that screw displacements can be imaged directly with the dislocation lying in a plane transverse to the electron beam by optical sectioning using annular dark field imaging in a scanning transmission electron microscope. Applying this technique to a mixed [a+c] dislocation in GaN allows direct imaging of a screw dissociation with a 1.65-nm dissociation distance, thereby demonstrating a new method for characterizing dislocation core structures.
International Nuclear Information System (INIS)
Atomic level spatial variability of electronic structure in Fe-based superconductor FeTe0.55Se0.45 (Tc = 15 K) is explored using current-imaging tunneling-spectroscopy. Multivariate statistical analysis of the data differentiates regions of dissimilar electronic behavior that can be identified with the segregation of chalcogen atoms, as well as boundaries between terminations and near neighbor interactions. Subsequent clustering analysis allows identification of the spatial localization of these dissimilar regions. Similar statistical analysis of modeled calculated density of states of chemically inhomogeneous FeTe1−xSex structures further confirms that the two types of chalcogens, i.e., Te and Se, can be identified by their electronic signature and differentiated by their local chemical environment. This approach allows detailed chemical discrimination of the scanning tunneling microscopy data including separation of atomic identities, proximity, and local configuration effects and can be universally applicable to chemically and electronically inhomogeneous surfaces
Some aspects of the interaction of photons and electrons with rare gas atoms
International Nuclear Information System (INIS)
Processes for excitation in rare gas atoms are described, due to absorption of photons and bombardment with electrons. The differences and similarities between excitation by absorption of light (spectroscopy) and by electron impact (collision physics) are qualified. Oscillator strengths from the self-absorption of resonance radiation in rare gases are determined. The excitation of 2'P and 3'P states of helium by electrons has been studied by observing excitation cross sections and polarization fractions obtained from XUV radiation. A description is given of a recently completed apparatus to study inelastic electron-atom scattering processes by coincidence techniques. An introduction is given to the theory which relates the parameters describing an excited state of an atom to the angular distribution of the radiation emitted in the decay of the excited state. (Auth.)
International Nuclear Information System (INIS)
Electron spectroscopy, combined with synchrotron radiation, was used to measure the angular distributions of photoelectrons and Auger electrons from atoms and molecules as functions of photon energy. The branching ratios and partial cross sections were also measured in certain cases. By comparison with theoretical calculations, the experimental results are interpreted in terms of the characteristic electronic structure and ionization dynamics of the atomic or molecular sample. The time structure of the synchrotron radiation source was used to record time-of-flight (TOF) spectra of the ejected electrons. The double-angle-TOF method for the measurement of photoelectron angular distributions is discussed. This technique offers the advantages of increased electron collection efficiency and the elimination of certain systematic errors. An electron spectroscopy study of inner-shell photoexcitation and ionization of Xe, photoelectron angular distributions from H2 and D2, and photoionization cross sections and photoelectron asymmetries of the valence orbitals of NO are reported
Energy levels in helium and neon atoms by an electron-impact method
Taylor, N.; Bartle, K. D.; Mills, D.; Beard, D. S.
1981-03-01
Electronic energy levels in noble gas atoms may be determined with a simple teaching apparatus incorporating a resonance potentials tube in which the electron beam intensity is held constant. The resulting spectra are little inferior to those obtained by more elaborate electron-impact methods and complement optical emission spectra. Singlet-triplet energy differences may be resolved, and the spectra of helium and neon may be used to illustrate the applicability of Russell-Saunders and other, ''intermediate,'' coupling schemes.
Intense Electron Beams from GaAs Photocathodes as a Tool for Molecular and Atomic Physics
Krantz, C.
2009-01-01
We present cesium-coated GaAs photocathodes as reliable sources of intense, quasi-monoenergetic electron beams in atomic and molecular physics experiments. In long-time operation of the Electron Target of the ion storage ring TSR in Heidelberg, cold electron beams could be realised at steadily improving intensity and reliability. Minimisation of processes degrading the quantum efficiency allowed to increase the extractable current to more than 1mA at stable cathode lifetimes of 24 h or more. ...
Measurement of the electronic excitation of atoms in atom-molecule collisions near threshold
International Nuclear Information System (INIS)
In first part of the paper the measurement of scattering cross sections is described and the energy transfer in molecule-alkali systems is investigated. The influence of translational and vibrational energy could be separated near the excitation threshold. In the second part of the work measurements are reported on the electronic excitation of the work measurements are reported on the electronic excitation of Xe in Xe-Xe-collisions. The experimental data are compared with theoretical calculations. (KBE) 891 KBE/KBE 892 HIS
Energy Technology Data Exchange (ETDEWEB)
Yu, Dong [Laser Micro/Nano Fabrication Laboratory, School of Mechanical Engineering, Beijing Institute of Technology, Beijing 100081 (China); Jiang, Lan, E-mail: jianglan@bit.edu.cn [Laser Micro/Nano Fabrication Laboratory, School of Mechanical Engineering, Beijing Institute of Technology, Beijing 100081 (China); Wang, Feng; Li, Xin [Laser Micro/Nano Fabrication Laboratory, School of Mechanical Engineering, Beijing Institute of Technology, Beijing 100081 (China); Qu, Liangti [Key Laboratory of Cluster Science, Ministry of Education, School of Chemistry, Beijing Institute of Technology, Beijing 100081 (China); Lu, Yongfeng [Department of Electrical Engineering, University of Nebraska-Lincoln, Lincoln, NE 68588-0511 (United States)
2015-10-23
We investigate the structural properties and ionized spin electrons of an Fe–graphene system, in which the time-dependent density functional theory (TDDFT) within the generalized gradient approximation is used. The electron dynamics, including electron ionization and ionized electron spin polarization, is described for Fe atom adsorbed graphene under femtosecond laser irradiation. The theoretical results show that the electron ionization and ionized electron spin polarization are sensitive to the laser parameters, such as the incident angle and the peak intensity. The spin polarization presents the maximum value under certain laser parameters, which may be used as a source of spin-polarized electrons. - Highlights: • The structural properties of Fe–graphene system are investigated. • The electron dynamics of Fe–graphene system under laser irradiation are described. • The Fe–graphene system may be used as a source of spin-polarized electrons.
International Nuclear Information System (INIS)
We investigate the structural properties and ionized spin electrons of an Fe–graphene system, in which the time-dependent density functional theory (TDDFT) within the generalized gradient approximation is used. The electron dynamics, including electron ionization and ionized electron spin polarization, is described for Fe atom adsorbed graphene under femtosecond laser irradiation. The theoretical results show that the electron ionization and ionized electron spin polarization are sensitive to the laser parameters, such as the incident angle and the peak intensity. The spin polarization presents the maximum value under certain laser parameters, which may be used as a source of spin-polarized electrons. - Highlights: • The structural properties of Fe–graphene system are investigated. • The electron dynamics of Fe–graphene system under laser irradiation are described. • The Fe–graphene system may be used as a source of spin-polarized electrons
Electron correlation effects on photoionization time delay in atomic Ar and Xe
Ganesan, A.; Saha, S.; Decshmukh, P. C.; Manson, S. T.; Kheifets, A. S.
2016-05-01
Time delay studies in photoionization processes have stimulated much interest as they provide valuable dynamical information about electron correlation and relativistic effects. In a recent work on Wigner time delay in the photoionization of noble gas atoms, it was found that correlations resulting from interchannel coupling involving shells with different principal quantum numbers have significant effects on 2s and 2p photoionization of Ne, 3s photoionization of Ar, and 3d photoionization of Kr. In the present work, photoionization time delay in inner and outer subshells of the noble gases Ar and Xe are examined by including electron correlations using different many body techniques: (i) the relativistic-random-phase approximation (RRPA), (ii) RRPA with relaxation, to include relaxation effects of the residual ion and (iii) the relativistic multiconfiguration Tamm-Dancoff (RMCTD) approximation. The (sometimes substantial) effects of the inclusion of non-RPA correlations on the photoionization Wigner time delay are reported. Work supported by DOE, Office of Chemical Sciences and DST (India).
Electron elastic scattering off $A$@C$_{60}$: The role of atomic polarization under confinement
Dolmatov, V K; Chernysheva, L V
2015-01-01
The present paper explores possible features of electron elastic scattering off endohedral fullerenes $A$@C$_{60}$. It focuses on how dynamical polarization of the encapsulated atom $A$ by an incident electron might alter scattering off $A$@C$_{60}$ compared to the static-atom-$A$ case, as well as how the C$_{60}$ confinement modifies the impact of atomic polarization on electron scattering compared to the free-atom case. The aim is to provide researchers with a "relative frame of reference" for understanding which part of the scattering processes could be due to electron scattering off the encapsulated atom and which due to scattering off the C$_{60}$ cage. To meet the goal, the C$_{60}$ cage is modeled by an attractive spherical potential of a certain inner radius, thickness, and depth which is a model used frequently in a great variety of fullerene studies to date. Then, the Dyson equation for the self-energy part of the Green's function of an incident electron moving in the combined field of an encapsulat...
Institute of Scientific and Technical Information of China (English)
Yuan Zhongcai; Shi Jiaming; Xu Bo
2005-01-01
The plasma diagnostic method using the transmission attenuation of microwaves at double frequencies (PDMUTAMDF) indicates that the frequency and the electron-neutral collision frequency of the plasma can be deduced by utilizing the transmission attenuation of microwaves at two neighboring frequencies in a non-magnetized plasma. Then the electron density can be obtained from the plasma frequency. The PDMUTAMDF is a simple method to diagnose the plasma indirectly. In this paper, the interaction of electromagnetic waves and the plasma is analyzed. Then, based on the attenuation and the phase shift of a microwave in the plasma, the principle of the PDMUTAMDF is presented. With the diagnostic method, the spatially mean electron density and electron collision frequency of the plasma can be obtained. This method is suitable for the elementary diagnosis of the atmospheric-pressure plasma.
UROX 2.0: an interactive tool for fitting atomic models into electron-microscopy reconstructions
International Nuclear Information System (INIS)
UROX is software designed for the interactive fitting of atomic models into electron-microscopy reconstructions. The main features of the software are presented, along with a few examples. Electron microscopy of a macromolecular structure can lead to three-dimensional reconstructions with resolutions that are typically in the 30–10 Å range and sometimes even beyond 10 Å. Fitting atomic models of the individual components of the macromolecular structure (e.g. those obtained by X-ray crystallography or nuclear magnetic resonance) into an electron-microscopy map allows the interpretation of the latter at near-atomic resolution, providing insight into the interactions between the components. Graphical software is presented that was designed for the interactive fitting and refinement of atomic models into electron-microscopy reconstructions. Several characteristics enable it to be applied over a wide range of cases and resolutions. Firstly, calculations are performed in reciprocal space, which results in fast algorithms. This allows the entire reconstruction (or at least a sizeable portion of it) to be used by taking into account the symmetry of the reconstruction both in the calculations and in the graphical display. Secondly, atomic models can be placed graphically in the map while the correlation between the model-based electron density and the electron-microscopy reconstruction is computed and displayed in real time. The positions and orientations of the models are refined by a least-squares minimization. Thirdly, normal-mode calculations can be used to simulate conformational changes between the atomic model of an individual component and its corresponding density within a macromolecular complex determined by electron microscopy. These features are illustrated using three practical cases with different symmetries and resolutions. The software, together with examples and user instructions, is available free of charge at http://mem.ibs.fr/UROX/
Shamlouei, Hamid Reza; Nouri, Amin; Mohammadi, Asghar; Tehrani, Abbas Dadkhah
2016-03-01
Using density functional theory, we investigated the effect of transition metal doping on structural, electronic, energetic, linear and nonlinear optical properties of Mg12O12 nanocluster. The result revealed that transition metal atoms doping lead to reduce the Eg and increase the dipole moment. The doping of transition metal atom on Mg12O12 nanocluster enhances its polarizability value. Also polarizability values for doped nanoclusters decrease as the atomic number of transition metal increase. The first hyperpolarizability value dramatically increases as substitute a magnesium atom with a transition metal atom. Among the transition metal atom doped nanocage, scandium has the largest first hyperpolarizability value (β◦≈47,872 au). The stability and remarkable values of β◦ (for Sc, Ti and V doped of nanocage) suggest that these compounds may be applicable as NLO material in industrial.
Butson, J. M.; Curtis, S.; Mayer, P. M.
2016-05-01
The atomic metal anions Fe-, Cs-, Cu- and Ag- were reacted with NO, NO2 and SO2 to form intact NO-, NO2- and SO2- with no fragmentation. Yields for the molecular anions ranged from 4 to 97% and were found to correlate to the exothermicity of the electron transfer process. Sequential oxygen atom extraction was found to take place between the metal anions and NO and NO2. Reactions between NO2 and Fe- resulted in FeO-, FeO2- and FeO3- while reactions of Cu- with NO2 resulted in CuO- and CuO2-. Reactions of Cu- and Ag- with NO resulted in CuO- and AgO- respectively.
Magnetic dipole-dipole sensing at atomic scale using electron spin resonance STM
Choi, T.; Paul, W.; Rolf-Pissarczyk, S.; MacDonald, A.; Yang, K.; Natterer, F. D.; Lutz, C. P.; Heinrich, A. J.
Magnetometry having both high magnetic field sensitivity and atomic resolution has been an important goal for applications in diverse fields covering physics, material science, and biomedical science. Recent development of electron spin resonance STM (ESR-STM) promises coherent manipulation of spins and studies on magnetic interaction of artificially built nanostructures, leading toward quantum computation, simulation, and sensors In ESR-STM experiments, we find that the ESR signal from an Fe atom underneath a STM tip splits into two different frequencies when we position an additional Fe atom nearby. We measure an ESR energy splitting that decays as 1/r3 (r is the separation of the two Fe atoms), indicating that the atoms are coupled through magnetic dipole-dipole interaction. This energy and distance relation enables us to determine magnetic moments of atoms and molecules on a surface with high precision in energy. Unique and advantageous aspects of ESR-STM are the atom manipulation capabilities, which allow us to build atomically precise nanostructures and examine their interactions. For instance, we construct a dice cinque arrangement of five Fe atoms, and probe their interaction and energy degeneracy. We demonstrate the ESR-STM technique can be utilized for quantum magnetic sensors.
Spin Squeezing of Atomic Ensembles via Nuclear-Electronic Spin Entanglement
DEFF Research Database (Denmark)
Fernholz, Thomas; Krauter, Hanna; Jensen, K.;
2008-01-01
We demonstrate spin squeezing in a room temperature ensemble of ≈1012 cesium atoms using their internal structure, where the necessary entanglement is created between nuclear and electronic spins of each individual atom. This state provides improvement in measurement sensitivity beyond the standard...... quantum limit for quantum memory experiments and applications in quantum metrology and is thus a complementary alternative to spin squeezing obtained via interatom entanglement. Squeezing of the collective spin is verified by quantum state tomography....
Effects of strong magnetic fields on the electron distribution and magnetisability of rare gas atoms
Pagola, G. I.; Caputo, M. C.; Ferraro, M. B.; Lazzeretti, P.
2004-12-01
Strong uniform static magnetic fields compress the electronic distribution of rare gas atoms and cause a 'spindle effect', which can be illustrated by plotting charge-density functions which depend quadratically on the flux density of the applied field. The fourth rank hypermagnetisabilities of He, Ne, Ar and Kr are predicted to have small positive values. Accordingly, the diamagnetism of rare gas atoms diminishes by a very little amount in the presence of intense magnetic field.
Many-body theory of electron correlations in atoms: RPAE and beyond
International Nuclear Information System (INIS)
It is demonstrated how the correlations of electrons manifest themselves in photoionization of atoms. The diagrammatical technique, convenient and transparent, is applied to study this and related processes. Choosing as the best one particle the Hartree-Fock approximation, the first considerable step in accounting for electron correlations is made by constructing the Random Phase Approximation with Exchange. Its generalizations are also described, which include rearrangement of electron shells due to vacancies creation and decay. Attention is given to ''two electron-two vacancy'' excitations, formation of the negative ions and their photoionization as well as to satellites and ''shadows''. The direct knock-out of secondary particles, electrons and photons, by photoelectrons is considered. Formation of multiply-charged ions and above threshold phenomena, mainly multistep PCI, are discussed. Future of the domain: new atom-like objects and next steps in theoretical studies are outlined. (author)
In-situ environmental (scanning) transmission electron microscopy of catalysts at the atomic level
International Nuclear Information System (INIS)
Observing reacting single atoms on the solid catalyst surfaces under controlled reaction conditions is a key goal in understanding and controlling heterogeneous catalytic reactions. In-situ real time aberration corrected environmental (scanning) transmission electron microscopy (E(S)TEM permit the direct imaging of dynamic surface and sub-surface structures of reacting catalysts. In this paper in-situ AC ETEM and AC ESTEM studies under controlled reaction environments of oxide catalysts and supported metal nanocatalysts important in chemical industry are presented. They provide the direct evidence of dynamic processes at the oxide catalyst surface at the atomic scale and single atom dynamics in catalytic reactions. The ESTEM studies of single atom dynamics in controlled reaction environments show that nanoparticles act as reservoirs of ad-atoms. The results have important implications in catalysis and nanoparticle studies
Intense electron beams from GaAs photocathodes as a tool for molecular and atomic physics
Energy Technology Data Exchange (ETDEWEB)
Krantz, Claude
2009-10-28
We present cesium-coated GaAs photocathodes as reliable sources of intense, quasi-monoenergetic electron beams in atomic and molecular physics experiments. In long-time operation of the Electron Target of the ion storage ring TSR in Heidelberg, cold electron beams could be realised at steadily improving intensity and reliability. Minimisation of processes degrading the quantum efficiency allowed to increase the extractable current to more than 1mA at usable cathode lifetimes of 24 h or more. The benefits of the cold electron beam with respect to its application to electron cooling and electron-ion recombination experiments are discussed. Benchmark experiments demonstrate the superior cooling force and energy resolution of the photoelectron beam compared to its thermionic counterparts. The long period of operation allowed to study the long-time behaviour of the GaAs samples during multiple usage cycles at the Electron Target and repeated in-vacuum surface cleaning by atomic hydrogen exposure. An electron emission spectroscopy setup has been implemented at the photocathode preparation chamber of the Electron Target. Among others, this new facility opened the way to a novel application of GaAs (Cs) photocathodes as robust, ultraviolet-driven electron emitters. Based on this principle, a prototype of an electron gun, designed for implementation at the HITRAP setup at GSI, has been built and taken into operation successfully. (orig.)
Intense electron beams from GaAs photocathodes as a tool for molecular and atomic physics
International Nuclear Information System (INIS)
We present cesium-coated GaAs photocathodes as reliable sources of intense, quasi-monoenergetic electron beams in atomic and molecular physics experiments. In long-time operation of the Electron Target of the ion storage ring TSR in Heidelberg, cold electron beams could be realised at steadily improving intensity and reliability. Minimisation of processes degrading the quantum efficiency allowed to increase the extractable current to more than 1mA at usable cathode lifetimes of 24 h or more. The benefits of the cold electron beam with respect to its application to electron cooling and electron-ion recombination experiments are discussed. Benchmark experiments demonstrate the superior cooling force and energy resolution of the photoelectron beam compared to its thermionic counterparts. The long period of operation allowed to study the long-time behaviour of the GaAs samples during multiple usage cycles at the Electron Target and repeated in-vacuum surface cleaning by atomic hydrogen exposure. An electron emission spectroscopy setup has been implemented at the photocathode preparation chamber of the Electron Target. Among others, this new facility opened the way to a novel application of GaAs (Cs) photocathodes as robust, ultraviolet-driven electron emitters. Based on this principle, a prototype of an electron gun, designed for implementation at the HITRAP setup at GSI, has been built and taken into operation successfully. (orig.)
New area detector for atomic-resolution scanning transmission electron microscopy.
Shibata, Naoya; Kohno, Yuji; Findlay, Scott D; Sawada, Hidetaka; Kondo, Yukihito; Ikuhara, Yuichi
2010-01-01
A new area detector for atomic-resolution scanning transmission electron microscopy (STEM) is developed and tested. The circular detector is divided into 16 segments which are individually optically coupled with photomultiplier tubes. Thus, 16 atomic-resolution STEM images which are sensitive to the spatial distribution of scattered electrons on the detector plane can be simultaneously obtained. This new detector can be potentially used not only for the simultaneous formation of common bright-field, low-angle annular dark-field and high-angle annular dark-field images, but also for the quantification of images by detecting the full range of scattered electrons and even for exploring novel atomic-resolution imaging modes by post-processing combination of the individual images. PMID:20406732
State of the art in atomic resolution off-axis electron holography
International Nuclear Information System (INIS)
As proposed by Hannes Lichte, to resolve structure–property relations not only the question “Which atom is where?” but also the question “Which fields are around?” has to be answered. High-resolution off-axis electron holography opens up an access to these key questions in that it allows accessing the complete exit-wave of the object provided within the information limit of the microscope, i.e. amplitude and phase including atomic details such as position and species, and moreover, information about large area electric potentials and magnetic fields, which a conventional transmission electron microscope is blind for—also when using a Cs-corrector. For an excellent object exit-wave reconstruction, special care has to be taken on the hologram quality, i.e. interference fringe contrast and electron dose. Severe restrictions are given to signal resolution by the limited brightness of the electron source. Utilizing a new high-brightness Schottky field electron emitter in a state-of-the-art transmission electron microscope operated at 300 kV, the phase signal resolution at atomic resolution can significantly be enhanced. An improvement by at least a factor of 2.88 compared to the most recently reported single hologram at atomic resolution is found. To proof the applicability of this setup to real materials science problems, a grain boundary of gold has been investigated holographically. -- Highlights: ► Impact of the brightness on the reconstructed signal in electron holography. ► Factor 2.8 gain in signal quality by setup with a high brightness electron gun. ► Investigation of a grain boundary in gold with a state-of-the-art holography setup. ► A-posteriori aberration fine-tuning for true one Angstrom resolution in the object wave. ► Mistilt analysis on the atomic scale by numerical wave optics.
Bouhmaida, Nouzha; Ghermani, Nour Eddine
2008-07-14
The present study is devoted to a general use of the Gauss law. This is applied to the atomic surfaces derived from the topological analysis of the electron density. The method proposed here is entirely numerical, robust and does not necessitate any specific parametrization of the atomic surfaces. We focus on two fundamental properties: the atomic charges and the electrostatic forces acting on atoms in molecules. Application is made on experimental electron densities modelized by the Hansen-Coppens model from which the electric field is derived for a heterogenic set of compounds: water molecule, NO(3) anion, bis-triazine molecule and MgO cluster. Charges and electrostatic forces are estimated by the atomic surface flux of the electric field and the Maxwell stress tensor, respectively. The charges obtained from the present method are in good agreement with those issued from the conventional volume integration. Both Feynman and Ehrenfest forces as well as the electrostatic potential at the nuclei (EPN) are here estimated from the experimental electron densities. The values found for the molecular compounds are presented and discussed in the scope of the mechanics of atomic interactions. PMID:18688393
Suenaga, K
2002-01-01
Electron microscopy and spectroscopy with the single-atom sensitivity enables us to obtain a direct image of the intra-molecular structure and chemical identification of individual metallofullerenes encapsulated inside single-walled carbon nanotubes, so-called peapods. By a comparison of high resolution images with a simulation to extract the relative atom positions for encaged metal atom in each molecule, distribution of molecular orientation and its interaction between adjacent molecules in metallofullerene-peapods have been statistically analyzed. Moreover the techniques described here demonstrates the possibilities to observe individual chemical reaction inside carbon nanotubes.
Theoretical calculations on the atomic and electronic structure of β-SiC(110) surface
Institute of Scientific and Technical Information of China (English)
无
2002-01-01
We present a theoretical calculation of the atomic and electronic structure of β-SiC and its non-polar (110) surface using the full potential linear augmented plane wave (FPLAPW) approach. The calculated lattice constant and bulk modulus of β-SiC crystal are in excellent agreement with experimental data. The atomic and electronic structure of β-SiC(110) surface has been calculated by employing the slab and supercell model. It is found that the surface is characterized by a top-layer bond-length-contracting rotation relaxation in which the Si-surface atom moves closer towards the substrate while the C-surface atom moves outward. This relaxation is analogous to that of Ⅲ-Ⅴ semi-conductor surface. The driving mechanism for this atomic rearrangement is that the Si atom tends to a planar sp2-like bonding situation with its three N neighbors and the N atom tends to a p3-like bonding with its three Si neighbors. Furthermore, surface relaxation induces the change from metallic to semiconducting characterization.
Salvat, Francesc; Jablonski, Aleksander; Powell, Cedric J.
2005-01-01
calculates differential cross sections, total cross sections and transport cross sections for single elastic scattering of electrons and positrons by neutral atoms, positive ions and randomly oriented molecules. For projectiles with kinetic energies less than about 5 MeV, the programs can also compute scattering amplitudes and spin polarization functions. Method of solution: The effective interaction between the projectile and a target atom is represented by a local central potential that can optionally include an imaginary (absorptive) part to account approximately for the coupling with inelastic channels. For projectiles with kinetic energy less that about 5 MeV, the code performs a conventional relativistic Dirac partial-wave analysis. For higher kinetic energies, where the convergence of the partial-wave series is too slow, approximate factorization methods are used. Restrictions on the complexity of the program: The calculations are based on the static-field approximation. The optional correlation-polarization and inelastic absorption corrections are obtained from approximate, semiempirical models. Calculations for molecules are based on a single-scattering independent-atom approximation. To ensure accuracy of the results for scattering by ions, the electron density of the ion must be supplied by the user. Typical running time: on a 2.8 GHz Pentium 4, the calculation of elastic scattering by atoms and ions takes between a few seconds and about two minutes, depending on the atomic number of the target, the adopted potential model and the kinetic energy of the projectile. Unusual features of the program: The program calculates elastic cross sections for electrons and positrons with kinetic energies in a wide range, from a few tens of eV up to about 1 GeV. Calculations can be performed for neutral atoms of all elements, from hydrogen to lawrencium ( Z=1-103), ions and simple molecules. Commercial products are identified to specify the calculational procedures. Such
Directory of Open Access Journals (Sweden)
Minashin P.V.
2015-01-01
Full Text Available A method of spectroscopic diagnostics of the average perpendicular-to-magnetic-field momentum of the superthermal component of the electron velocity distribution (EVD, based on the high-number-harmonic electron cyclotron (EC radiation, is suggested for nuclear fusion-reactor plasmas under condition of a strong auxiliary heating (e.g. in tokamak DEMO, a next step after tokamak ITER. The method is based on solving an inverse problem for reconstruction of the EVD in parallel and perpendicular-to-magnetic-field components of electron momentum at high and moderate energies responsible for the emission of the high-number-harmonic EC radiation.
Alaterre, P.; Pepin, H.; Fabbro, R.; Faral, B.
1986-11-01
Soft-X-ray low-resolution experimental spectra are obtained for a large set of targets irradiated at 2 x 10 to the 14th W/sq cm by 0.26-micron radiation. X-ray conversion efficiencies in various spectral ranges are studied as a function of atomic number. To calculate the emissivity, a simple, multiple-Z atomic-physics model is developed based on a screened-hydrogenic description for the atomic structure and on a non-LTE modified Saha approach to plasma-ionization properties. Experimental soft-X-ray spectra are replicated by using a discrete summation of emissivities over a few temperatures with appropriate weighting factors determined from the experiment or through a separate hydrodynamic-code simulation. The modulations in the Z dependence of the X-ray conversion efficiency in various spectral ranges are well described and interpreted.
25 CFR 547.14 - What are the minimum technical standards for electronic random number generation?
2010-04-01
... random number generation? 547.14 Section 547.14 Indians NATIONAL INDIAN GAMING COMMISSION, DEPARTMENT OF... CLASS II GAMES § 547.14 What are the minimum technical standards for electronic random number generation... serial correlation (outcomes shall be independent from the previous game); and (x) Test on...
Gibb, Ashley; Alem, Nasim; Song, Chengyu; Ciston, Jim; Zettl, Alex
2014-03-01
Monolayer sheets of sp2-bonded materials such as graphene and hexagonal boron nitride (h-BN) have been studied extensively due to their properties including high mechanical strength, thermal conductivity, stability, interesting electronic properties, and potential for integration into novel devices. Understanding the atomic scale structure of defects in these materials is important because defects can significantly affect the physical properties in these materials. In particular, understanding the dynamics of these defects explains much about the material's stability. We have synthesized h-BN and graphene using low pressure chemical vapor deposition and imaged defects using atomic resolution aberration corrected transmission electron microscopy.
International Nuclear Information System (INIS)
Multiple Scattering calculations were performed on an FeAr12 cluster in order to describe the iron atom trapped in a crystalline argon matrix. The total electron densities at the iron nucleus derived from these calculations are used to interpret Moessbauer Isomer Shift data. The different bonding mechanisms contributing to the metal atom-rare gas matrix interaction are also investigated. The overlap distorsion effect of the metal wave functions is found to play a major role in the calculated electron densities. The iron isomer shift calibration constant was found to be -0.22 a3 sub(o) mm sec-1. (Author)
Hochstuhl, David
2012-01-01
We introduce the time-dependent restricted active space Configuration Interaction method to solve the time-dependent Schr\\"odinger equation for many-electron atoms, and particularly apply it to the treatment of photoionization processes in atoms. The method is presented in a very general formulation and incorporates a wide range of commonly used approximation schemes, like the single-active electron approximation, time-dependent Configuration Interaction with single-excitations, or the time-dependent R-matrix method. We proof the applicability of the method by calculating the photoionization cross sections of Helium and Beryllium.
Kohn-Sham potentials in exact density-functional theory at non-integer electron numbers
Gould, Tim
2014-01-01
Within exact electron density-functional theory, we investigate Kohn-Sham (KS) potentials, orbital energies, and non-interacting kinetic energies of the fractional ions of Li, C and F. We use quantum Monte Carlo densities as input, which are then fitted, interpolated at non-integer electron numbers $N$, and inverted to produce accurate KS potentials $v_s^N(r)$. We study the dependence of the KS potential on $N$, and in particular we numerically confirm the existence of the theoretically predicted spatially constant discontinuity of $v_s^N(r)$ as $N$ passes through an integer. We further show that, for all the cases considered, the inner orbital energies and the non-interacting kinetic energy are nearly piecewise linear functions of $N$. This leads us to propose a simple approximation of the KS potential $v_s^N(r)$ at any fractional electron number $N$ which uses only quantities of the systems with the adjacent integer electron numbers.
Theory of neutron scattering by atomic electrons: jj-coupling scheme
International Nuclear Information System (INIS)
Expressions are reported for the matrix element of the neutron-electron interaction for atomic electrons in a jn configuration, appropriate for palladium and platinum group compounds and rare earth and actinide materials. For the latter, f-electron systems, an isolated ion is a realistic approximation. Compact expressions are provided, together with tables of reduced matrix elements, for elastic and inelastic structure factors, and compared with the corresponding Russell-Saunders expressions. Inelastic scattering by two f-electrons, including non-equivalent states, is presented in detail. (author)
Laser irradiated enhancement of the atomic electron capture rate in search of new physics
International Nuclear Information System (INIS)
Electron capture processes are important for new physics searches and therefore a high capture rate is inevitably desired. We investigate a possibility of enhancement of an atomic electron capture rate by irradiating laser beam to “an atom”. The possibility of the enhancement is shown as a consequence of an enhanced electron wave function at origin Ψ(0) through an effectively increased mass of the electron. We find that order of magnitude enhancement can be achieved using the laser with intensity 1010 W/mm2, and energy of photon, of O(10-3) eV. (author)
Energy Technology Data Exchange (ETDEWEB)
Piñera, Ibrahin, E-mail: ipinera@ceaden.edu.cu [Centro de Aplicaciones Tecnológicas y Desarrollo Nuclear, CEADEN, 30 St. 502, Playa 11300, Havana (Cuba); Cruz, Carlos M.; Leyva, Antonio; Abreu, Yamiel; Cabal, Ana E. [Centro de Aplicaciones Tecnológicas y Desarrollo Nuclear, CEADEN, 30 St. 502, Playa 11300, Havana (Cuba); Espen, Piet Van; Remortel, Nick Van [University of Antwerp, CGB, Groenenborgerlaan 171, 2020 Antwerpen (Belgium)
2014-11-15
Highlights: • We present a calculation procedure for dpa cross section in solids under irradiation. • Improvement about 10–90% for the gamma irradiation induced dpa cross section. • Improvement about 5–50% for the electron irradiation induced dpa cross section. • More precise results (20–70%) for thin samples irradiated with electrons. - Abstract: Several authors had estimated the displacements per atom cross sections under different approximations and models, including most of the main gamma- and electron-material interaction processes. These previous works used numerical approximation formulas which are applicable for limited energy ranges. We proposed the Monte Carlo assisted Classical Method (MCCM), which relates the established theories about atom displacements to the electron and positron secondary fluence distributions calculated from the Monte Carlo simulation. In this study the MCCM procedure is adapted in order to estimate the displacements per atom cross sections for gamma and electron irradiation. The results obtained through this procedure are compared with previous theoretical calculations. An improvement in about 10–90% for the gamma irradiation induced dpa cross section is observed in our results on regard to the previous evaluations for the studied incident energies. On the other hand, the dpa cross section values produced by irradiation with electrons are improved by our calculations in about 5–50% when compared with the theoretical approximations. When thin samples are irradiated with electrons, more precise results are obtained through the MCCM (in about 20–70%) with respect to the previous studies.
International Nuclear Information System (INIS)
Highlights: • We present a calculation procedure for dpa cross section in solids under irradiation. • Improvement about 10–90% for the gamma irradiation induced dpa cross section. • Improvement about 5–50% for the electron irradiation induced dpa cross section. • More precise results (20–70%) for thin samples irradiated with electrons. - Abstract: Several authors had estimated the displacements per atom cross sections under different approximations and models, including most of the main gamma- and electron-material interaction processes. These previous works used numerical approximation formulas which are applicable for limited energy ranges. We proposed the Monte Carlo assisted Classical Method (MCCM), which relates the established theories about atom displacements to the electron and positron secondary fluence distributions calculated from the Monte Carlo simulation. In this study the MCCM procedure is adapted in order to estimate the displacements per atom cross sections for gamma and electron irradiation. The results obtained through this procedure are compared with previous theoretical calculations. An improvement in about 10–90% for the gamma irradiation induced dpa cross section is observed in our results on regard to the previous evaluations for the studied incident energies. On the other hand, the dpa cross section values produced by irradiation with electrons are improved by our calculations in about 5–50% when compared with the theoretical approximations. When thin samples are irradiated with electrons, more precise results are obtained through the MCCM (in about 20–70%) with respect to the previous studies
Wang, Hongtao
2012-01-01
Interaction between single noble metal atoms and graphene edges has been investigated via aberration-corrected and monochromated transmission electron microscopy. A collective motion of the Au atom and the nearby carbon atoms is observed in transition between energy-favorable configurations. Most trapping and detrapping processes are assisted by the dangling carbon atoms, which are more susceptible to knock-on displacements by electron irradiation. Thermal energy is lower than the activation barriers in transition among different energy-favorable configurations, which suggests electron-beam irradiation can be an efficient way of engineering the graphene edge with metal atoms. © 2012 The Royal Society of Chemistry.
Angle-resolved 2D imaging of electron emission processes in atoms and molecules
International Nuclear Information System (INIS)
A variety of electron emission processes have been studied in detail for both atomic and molecular systems, using a highly efficient experimental system comprising two time-of-flight (TOF) rotatable electron energy analyzers and a 3rd generation synchrotron light source. Two examples are used here to illustrate the obtained results. Firstly, electron emissions in the HCL molecule have been mapped over a 14 eV wide photon energy range over the Cl 2p ionization threshold. Particular attention is paid to the dissociative core-excited states, for which the Auger electron emission shows photon energy dependent features. Also, the evolution of resonant Auger to the normal Auger decay distorted by post-collision interaction has been observed and the resonating behavior of the valence photoelectron lines studied. Secondly, an atomic system, neon, in which excitation of doubly excited states and their subsequent decay to various accessible ionic states has been studied. Since these processes only occurs via inter-electron correlations, the many body dynamics of an atom can be probed, revealing relativistic effects, surprising in such a light atom. Angular distribution of the decay of the resonances to the parity unfavored continuum exhibits significant deviation from the LS coupling predictions
Jałochowski, M; Kwapiński, T; Łukasik, P; Nita, P; Kopciuszyński, M
2016-07-20
Structural and electron transport properties of multiple Pb atomic chains fabricated on the Si(5 5 3)-Au surface are investigated using scanning tunneling spectroscopy, reflection high electron energy diffraction, angular resolved photoemission electron spectroscopy and in situ electrical resistance. The study shows that Pb atomic chains growth modulates the electron band structure of pristine Si(5 5 3)-Au surface and hence changes its sheet resistivity. Strong correlation between chains morphology, electron band structure and electron transport properties is found. To explain experimental findings a theoretical tight-binding model of multiple atomic chains interacting on effective substrate is proposed. PMID:27228462
Landry, Guillaume; Seco, Joao; Gaudreault, Mathieu; Verhaegen, Frank
2013-10-01
Dual energy computed tomography (DECT) can provide simultaneous estimation of relative electron density ρe and effective atomic number Zeff. The ability to obtain these quantities (ρe, Zeff) has been shown to benefit selected radiotherapy applications where tissue characterization is required. The conventional analysis method (spectral method) relies on knowledge of the CT scanner photon spectra which may be difficult to obtain accurately. Furthermore an approximate empirical attenuation correction of the photon spectrum through the patient is necessary. We present an alternative approach based on a parameterization of the measured ratio of low and high kVp linear attenuation coefficients for deriving Zeff which does not require the estimation of the CT scanner spectra. In a first approach, the tissue substitute method (TSM), the Rutherford parameterization of the linear attenuation coefficients was employed to derive a relation between Zeff and the ratio of the linear attenuation coefficients measured at the low and high kVp of the CT scanner. A phantom containing 16 tissue mimicking inserts was scanned with a dual source DECT scanner at 80 and 140 kVp. The data from the 16 inserts phantom was used to obtain model parameters for the relation between Zeff and \\mu \\big|_{140kVp}^{80kVp}. The accuracy of the method was evaluated with a second phantom containing 4 tissue mimicking inserts. The TSM was compared to a more complex approach, the reference tissue method (RTM), which requires the derivation of stoichiometric fit parameters. These were derived from the 16 inserts phantom scans and used to calculate CT numbers at 80 and 140 kVp for a set of tabulated reference human tissues. Model parameters for the parameterization of \\mu \\big|_{140\\;kVp}^{80\\;kVp} were estimated for this reference tissue dataset and compared to the results of the TSM. Residuals on Zeff for the reference tissue dataset for both TSM and RTM were compared to those obtained from the
Electronic torsional sound in linear atomic chains: chemical energy transport at 1000 km/s
Kurnosov, Arkady A; Maksymov, Andrii A; Burin, Alexander L
2016-01-01
We investigate entirely electronic torsional vibrational modes in linear cumulene chains. The carbon nuclei of a cumulene are positioned along the primary axis so they can participate only in transverse and longitudinal motions. However, the interatomic electronic clouds behave as a torsion spring with remarkable torsional stiffness. The collective dynamics of these clouds can be described in terms of electronic vibrational quanta, which we name torsitons. It is shown that the group velocity of the wavepacket of torsitons is much higher than the typical speed of sound, because of the small mass of participating electrons compared to the atomic mass. For the same reason the maximum energy of the torsitons in cumulenes is as high as a few electronvolts, while the minimum possible energy is evaluated as a few hundred wavenumbers and this minimum is associated with asymmetry of zero point atomic vibrations. Molecular systems for experimental evaluation of the predictions are proposed.
Tailoring atomic structure to control the electronic transport in zigzag graphene nanoribbon
Energy Technology Data Exchange (ETDEWEB)
Zeng, Hui [College of Physical Science and Technology, Yangtze University, Jingzhou, Hubei 434023 (China); Zhao, Jun, E-mail: zhaojun@yangtzeu.edu.cn [College of Physical Science and Technology, Yangtze University, Jingzhou, Hubei 434023 (China); Wei, Jianwei [College of Optoelectronic Information, Chongqing University of Technology, Chongqing 400054 (China); Zeng, Xianliang [College of Physical Science and Technology, Yangtze University, Jingzhou, Hubei 434023 (China); Xu, Yang [Department of Information Science and Electronic Engineering, Zhejiang University, Hangzhou, Zhejiang 310027 (China)
2012-10-01
We have performed ab initio density functional theory calculation to study the electronic transport properties of the tailored zigzag-edged graphene nanoribbon (ZGNR) with particular electronic transport channels. Our results demonstrated that tailoring the atomic structure had significantly influenced the electronic transport of the defective nanostructures, and could lead to the metal-semiconducting transition when sufficient atoms are tailored. The asymmetric I–V characteristics as a result of symmetry breaking have been exhibited, which indicates the route to utilize GNR as a basic component for novel nanoelectronics. -- Highlights: ► M–S transition induced by tailoring nanostructure. ► Asymmetric I–V curve due to symmetry breaking. ► Controllable electron transport by designing nanofiguration.
Large Z effects in hydrogen-like atoms caused by radiation component of electronic AMM
International Nuclear Information System (INIS)
The behaviour of electronic levels in hydrogen-like atoms with account of nonperturbative interaction of radiative component of free electron magnetic moment Δgfree with the Coulomb field of atomic nuclei of charge Z is studied, including the region Z > 137. It is shown that for Zα ≪ 1 the shift of energy levels is determined quite effectively from matrix elements of corresponding Dirac-Pauli operator with relativistic Coulomb wave functions. At the same time, for superheavy nuclei with Z∼170 the shift, caused by Δgfree, is essentially nonperturbative, behaves near the threshold of negative continuum like Z5, exceeding all the known estimates of radiative corrections from vacuum polarization and electronic self-energy, and turns out to be at least of the same order as nuclei charge screening effects from filled electronic shells
Robust validation of approximate 1-matrix functionals with few-electron harmonium atoms
International Nuclear Information System (INIS)
A simple comparison between the exact and approximate correlation components U of the electron-electron repulsion energy of several states of few-electron harmonium atoms with varying confinement strengths provides a stringent validation tool for 1-matrix functionals. The robustness of this tool is clearly demonstrated in a survey of 14 known functionals, which reveals their substandard performance within different electron correlation regimes. Unlike spot-testing that employs dissociation curves of diatomic molecules or more extensive benchmarking against experimental atomization energies of molecules comprising some standard set, the present approach not only uncovers the flaws and patent failures of the functionals but, even more importantly, also allows for pinpointing their root causes. Since the approximate values of U are computed at exact 1-densities, the testing requires minimal programming and thus is particularly suitable for rapid screening of new functionals
Robust validation of approximate 1-matrix functionals with few-electron harmonium atoms
Cioslowski, Jerzy; Piris, Mario; Matito, Eduard
2015-12-01
A simple comparison between the exact and approximate correlation components U of the electron-electron repulsion energy of several states of few-electron harmonium atoms with varying confinement strengths provides a stringent validation tool for 1-matrix functionals. The robustness of this tool is clearly demonstrated in a survey of 14 known functionals, which reveals their substandard performance within different electron correlation regimes. Unlike spot-testing that employs dissociation curves of diatomic molecules or more extensive benchmarking against experimental atomization energies of molecules comprising some standard set, the present approach not only uncovers the flaws and patent failures of the functionals but, even more importantly, also allows for pinpointing their root causes. Since the approximate values of U are computed at exact 1-densities, the testing requires minimal programming and thus is particularly suitable for rapid screening of new functionals.
QED shift calculations in relativistic many-electron atoms and ions
Tupitsyn, I I; Safronova, M S; Shabaev, V M; Dzuba, V A
2016-01-01
We incorporated quantum electrodynamics (QED) corrections into the broadly-applicable high-precision relativistic method that combines configuration interaction (CI) and linearized coupled-cluster approaches. With the addition of the QED, this CI+all-order method allows one to accurately predict properties of heavy ions of particular interest to the design of precision atomic clocks and tests of fundamental physics. To evaluate the accuracy of the QED contributions and test various QED models, we incorporated four different one-electron QED potentials. We demonstrated that all of them give consistent and reliable results. For the strongly bound electrons (i.e. inner electrons of heavy atoms, or valence electrons in highly-charged ions), the nonlocal potentials are more accurate, than the local one. Results are presented for cases of particular experimental interest.
Robust Validation Of Approximate 1-Matrix Functionals With Few-Electron Harmonium Atoms
Cioslowski, Jerzy; Matito, Eduard
2015-01-01
A simple comparison between the exact and approximate correlation components U of the electron-electron repulsion energy of several states of few-electron harmonium atoms with varying confinement strengths provides a superior validation tool for 1-matrix functionals. The robustness of this tool is clearly demonstrated in a survey of 14 known functionals, which reveals their substandard performance within different electron correlation regimes. Unlike spot-testing that employs dissociation curves of diatomic molecules or more extensive benchmarking against experimental atomization energies of molecules comprising one of standard sets, the present approach not only uncovers the flaws and patent failures of the functionals but, even more importantly, allows for pinpointing their root causes. Since the approximate values of U are computed at exact 1-densities, the testing requires minimal programming, and thus is particularly useful in quick screening of new functionals.
Energy Technology Data Exchange (ETDEWEB)
Nogueira, M.S. [Centro Regional de Ciencias Nucleares (CRCN), Recife, PE (Brazil); Rodas Duran, J.E. [Sao Paulo Univ., Ribeirao Preto, SP (Brazil). Faculdade de Filosofia, Ciencias e Letras. Dept. de Fisica e Matematica
2001-07-01
The teeth are organs of complicated structure that consist, partly, of hard tissue containing in its interior the dental pulp, rich in vases and nerves. The main mass of the tooth is constituted by the dentine, which is covered with hard tissues and of epithelial origin called enamel. The dentine of the human teeth used in this work were completely removed and the teeth were cut with a device with a diamond disc. In this work the chemical composition of the human enamel was determined, which showed a high percentage of Ca and P, in agreement with the results found in the literature. The effective atomic number of the material and the half-value layer in the energy range of diagnostic X-ray beams were determined. Teeth could be used to evaluated the public's individual doses as well as for retrospective dosimetry what confirms the importance of their effective atomic number and composition determination. (author)
International Nuclear Information System (INIS)
Purpose: This study was performed to investigate the accuracies of the synthesized monochromatic images and effective atomic number maps obtained with the new GE Discovery CT750 HD CT scanner. Methods: A Gammex-RMI model 467 tissue characterization phantom and the CT number linearity section of a Phantom Laboratory Catphan 600 phantom were scanned using the dual energy (DE) feature on the GE CT750 HD scanner. Synthesized monochromatic images at various energies between 40 and 120 keV and effective atomic number (Zeff) maps were generated. Regions of interest were placed within these images/maps to measure the average monochromatic CT numbers and average Zeff of the materials within these phantoms. The true Zeff values were either supplied by the phantom manufacturer or computed using Mayneord's equation. The linear attenuation coefficients for the true CT numbers were computed using the NIST XCOM program with the input of manufacturer supplied elemental compositions and densities. The effects of small variations in the assumed true densities of the materials were also investigated. Finally, the effect of body size on the accuracies of the synthesized monochromatic CT numbers was investigated using a custom lumbar section phantom with and without an external fat-mimicking ring. Results: Other than the Zeff of the simulated lung inserts in the tissue characterization phantom, which could not be measured by DECT, the Zeff values of all of the other materials in the tissue characterization and Catphan phantoms were accurate to 15%. The accuracies of the synthesized monochromatic CT numbers of the materials in both phantoms varied with energy and material. For the 40-120 keV range, RMS errors between the measured and true CT numbers in the Catphan are 8-25 HU when the true CT numbers were computed using the nominal plastic densities. These RMS errors improve to 3-12 HU for assumed true densities within the nominal density ±0.02 g/cc range. The RMS errors between the
Polarized electron correlations near auto-ionizing states of zinc atoms
Williams, James; Pravica, Luka; Samarin, Sergey
2015-09-01
Multi-electron metal atoms find new applications in diverse structures with spin and momentum-dependent properties having significance in determining material functionalities. Electron correlations effects are determined from scattering kinematics of spin-polarized electrons exciting zinc atoms near autoionizing states up to 16 eV. Previous studies of the 4p 3 , 1P1 , 4 d,5 d,6d3D1 , 2 , 3 and 4 d,5d1D1 excited states observed photon decay intensities and scattered electron energies and angles in the energy region of the 3d94s24 p autoionizing states up to 12 eV. Strong electron correlations and active roles of 3 d electrons were evident. Our observations of the 53S excited state for electron energies up to 16 eV show dominant 3 d core-excited negative-ion resonances and strong Post-Collision Interaction (PCI). For low energies of scattered and ejected electrons, after near-threshold excitation of the 3d94s24 p autoionizing states, a large transfer of orbital angular momentum is evident. Results include angular differential elastic scattering and excitation functions, ``integrated'' Stokes polarization parameters and spin up/down asymmetries indicating spin-orbit interaction and electron exchange effects. School of Physics
Studies on the effective atomic numbers of some human tissues in the energy region 15-100 keV
International Nuclear Information System (INIS)
The effective atomic numbers for total photon interaction in muscle, bone, brain, heart, kidney, liver, lungs, ovaries, pancreas, spleen and tongue are evaluated using three different methods, for practical use in the energy region 15-100 keV. Muscle, brain, heart, kidney, lungs, ovaries, pancreas, spleen, tongue and water, bone and silicon; liver and oxygen are found to behave in an approximately similar manner in this energy region. (author)