Raman active high energy excitations in URu{sub 2}Si{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Buhot, Jonathan [Laboratoire Matériaux et Phénomènes Quantiques, UMR 7162 CNRS, Université Paris Diderot - Paris 7, Bât. Condorcet, 75205 Paris Cedex 13 (France); High Field Magnet Laboratory (HFML - EMFL), Institute for Molecules and Materials, Radboud University, Toernooiveld 7, 6525 ED Nijmegen (Netherlands); Gallais, Yann; Cazayous, Maximilien; Sacuto, Alain [Laboratoire Matériaux et Phénomènes Quantiques, UMR 7162 CNRS, Université Paris Diderot - Paris 7, Bât. Condorcet, 75205 Paris Cedex 13 (France); Piekarz, Przemysław [Institute of Nuclear Physics, Polish Academy of Sciences, 31-342 Krakòw (Poland); Lapertot, Gérard [Université Grenoble Alpes, INAC-SPSMS, F-38000 Grenoble (France); CEA, INAC-SPSMS, F-38000 Grenoble (France); Aoki, Dai [Université Grenoble Alpes, INAC-SPSMS, F-38000 Grenoble (France); CEA, INAC-SPSMS, F-38000 Grenoble (France); Institute for Materials Research, Tohoku University, Oarai, Ibaraki 311-1313 (Japan); Méasson, Marie-Aude, E-mail: marie-aude.measson@univ-paris-diderot.fr [Laboratoire Matériaux et Phénomènes Quantiques, UMR 7162 CNRS, Université Paris Diderot - Paris 7, Bât. Condorcet, 75205 Paris Cedex 13 (France)

2017-02-01

We have performed Raman scattering measurements on URu{sub 2}Si{sub 2} single crystals on a large energy range up to ∼1300 cm{sup −1} and in all the Raman active symmetries as a function of temperature down to 15 K. A large excitation, active only in the E{sub g} symmetry, is reported. It has been assigned to a crystal electric field excitation on the Uranium site. We discuss how this constrains the crystal electric field scheme of the Uranium ions. Furthermore, three excitations in the A{sub 1g} symmetry are observed. They have been associated to double Raman phonon processes consistently with ab initio calculations of the phonons dispersion.

Unusual temperature dependence of the magnetic moment in URu2Si2

International Nuclear Information System (INIS)

Faak, B.; Flouquet, J.; Lejay, P.

1994-01-01

The influence of the sample quality on the magnetic properties of the heavy-fermion superconductor URu 2 Si 2 has been studied by elastic neutron scattering. Two single crystals prepared under identical conditions received different heat treatments. The as-grown crystal shows an unusual temperature dependence of the magnetic Bragg peak intensity. The annealed sample behaves normally. The low-temperature magnetic moment is identical for the two samples, showing that the small moment of 0.023 (3) μ B is intrinsic. By varying the instrumental resolution, we show that the ordered moment as well as the limited correlation length (200-400 A) are of static origin. The finite correlation length appears related to defects. (author). 9 refs., 1 fig

Study of magnetic structure of neptunium compounds: Np As, Np Sb, Np Se et Np Ru2 Si2

International Nuclear Information System (INIS)

Bonnisseau, D.

1987-11-01

Magnetic behavior and localization of 5f electrons in actinide compounds is studied experimentally by Moessbauer spectroscopy and neutron diffraction. Binary actinide compounds with a NaCl structure are examined and properties of U, Pu and Np monopnictides and monochalcogenides are recalled. Results of neutron diffraction by NpAs and NpSb are discussed and results of magnetic susceptibility, magnetization, Moessbauer spectroscopy and neutron diffraction measurements on NpSe and NpTe are presented. Magnetic properties of NpRu 2 Si 2 are also presented. Heavy fermion system electronic and magnetic properties are described and theory is discussed. Electronic and magnetic properties of CeCu 2 Si 2 , CeRu 2 Si 2 and URu 2 Si 2 are compared to NpRu 2 Si 2 which has the same crystal structure [fr

Competition of ground states in URu2Si2 and UCoGe

International Nuclear Information System (INIS)

Hassinger, E.

2010-10-01

In this thesis, two uranium based heavy fermion compounds are studied under pressure. URu2Si2 has a mysterious ground state below T0 = 17.5 K at ambient pressure. The order parameter has not been identified yet which led to the name 'hidden order' (HO). In addition, below 1.5 K the system becomes superconducting. With pressure, the ground state switches from the HO phase to an antiferromagnetic (AF) phase at a critical pressure and superconductivity is concomitantly suppressed. Shubnikov-de Haas measurements under pressure show that the Fermi surface doesn't change between the two phases. The folding of the Fermi surface which occurs in the high pressure AF phase therefore already happens in the HO phase, indicating a unit cell doubling. Our measurements of the complete angular dependence of the oscillation frequencies test the electronic structure and support new theoretical band structure calculations with rather itinerant 5f electrons. The second part of my research focuses on another uranium compound, UCoGe. It is one of the few known materials where superconductivity (Tsc = 0.6 K) coexists with ferromagnetism (T Curie = 2.8 K). Precise studies of the pressure phase diagram by resistivity, ac calorimetry and ac susceptibility show that the ferromagnetic phase is suppressed at a pressure of about 1 GPa and the superconducting phase extends into the paramagnetic phase induced by pressure. When ferromagnetism is suppressed to the superconducting transition no further distinct ferromagnetic anomalies are observed. Thus, the pressure phase diagram of UCoGe is unique in the class of ferromagnetic superconductors. (author)

A model for metastable magnetism in the hidden-order phase of URu2Si2

Science.gov (United States)

Boyer, Lance; Yakovenko, Victor M.

2018-01-01

We propose an explanation for the experiment by Schemm et al. (2015) where the polar Kerr effect (PKE), indicating time-reversal symmetry (TRS) breaking, was observed in the hidden-order (HO) phase of URu2Si2. The PKE signal on warmup was seen only if a training magnetic field was present on cool-down. Using a Ginzburg-Landau model for a complex order parameter, we show that the system can have a metastable ferromagnetic state producing the PKE, even if the HO ground state respects TRS. We predict that a strong reversed magnetic field should reset the PKE to zero.

Thermodynamic aspect in using modified Boltzmann model as an acoustic probe for URu2Si2

Science.gov (United States)

Kwang-Hua, Chu Rainer

2018-05-01

The approximate system of equations describing ultrasonic attenuation propagating in many electrons of the heavy-fermion materials URu2Si2 under high magnetic fields were firstly derived and then calculated based on the modified Boltzmann model considering the microscopic contributions due to electronic fluids. A system of nonlinear partial differential coupled with integral equations were linearized firstly and approximately solved considering the perturbed thermodynamic equilibrium states. Our numerical data were compared with previous measurements using non-dimensional or normalized physical values. The rather good fit of our numerical calculations with experimental measurements confirms our present approach.

Interplay between magnetic quantum criticality, Fermi surface and unconventional superconductivity in UCoGe, URhGe and URu2Si2

International Nuclear Information System (INIS)

Bastien, Gael

2017-01-01

This thesis is concentrated on the ferromagnetic superconductors UCoGe and URhGe and on the hidden order state in URu 2 Si 2 . In the first part the pressure temperature phase diagram of UCoGe was studied up to 10.5 GPa. Ferromagnetism vanishes at the critical pressure pc≅1 GPa. Unconventional superconductivity and non Fermi liquid behavior can be observed in a broad pressure range around pc. The superconducting upper critical field properties were explained by the suppression of the magnetic fluctuations under field. In the second part the Fermi surfaces of UCoGe and URhGe were investigated by quantum oscillations. In UCoGe four Fermi surface pockets were observed. Under magnetic field successive Lifshitz transitions of the Fermi surface have been detected. The observed Fermi surface pockets in UCoGe evolve smoothly with pressure up to 2.5 GPa and do not show any Fermi surface reconstruction at the critical pressure pc. In URhGe, three heavy Fermi surface pockets were detected by quantum oscillations. In the last part the quantum oscillation study in the hidden order state of URu 2 Si 2 shows a strong g factor anisotropy for two Fermi surface pockets, which is compared to the macroscopic g factor anisotropy extracted from the upper critical field study. (author) [fr

The appearance of homogeneous antiferromagnetism in URu sub 2 Si sub 2 under high pressure: a sup 2 sup 9 Si nuclear magnetic resonance study

CERN Document Server

Matsuda, K; Kohara, T; Amitsuka, H; Kuwahara, K; Matsumoto, T

2003-01-01

We have investigated the low-temperature phase appearing below T sub o = 17.5 K in URu sub 2 Si sub 2 by means of sup 2 sup 9 Si nuclear magnetic resonance (NMR) in a pressure range from 0 to 17.5 kbar across the pressure-induced phase transition at P sub c = 15 kbar. At pressures below P sub c , we have observed the sup 2 sup 9 Si NMR lines arising from antiferromagnetic (AF) and paramagnetic (PM) regions in the sample, giving evidence for a phase-separated AF ordering below T sub o. The AF region increases in volume fraction with increasing pressure up to P sub c. In the PM region, the temperature-dependence of the nuclear spin-lattice relaxation rate at Si sites shows a rapid decrease below T sub o , strongly suggesting the occurrence of a phase transition driven by a hidden order parameter. As applied pressure exceeds P sub c , the AF ordering appears uniformly at T sub o throughout the sample. In the pressure range from 0 to 17.5 kbar, the magnitude of the internal field at Si sites in the AF region rema...

Quadrupolar order, hidden octupolar order and tiny magnetic moment in URu2Si2

International Nuclear Information System (INIS)

Tsuruta, Atsushi; Matsuura, Tamifusa; Kuroda, Yoshihiro

2000-01-01

Possible orders in URu 2 Si 2 are investigated using a two-channel degenerate Anderson model. The ground state of uranium ions is the non-Kramers quadrupolar doublet Γ 5 with (5f) 2 , and its relevant excited state is the Kramers dipolar doublet Γ 7 with (5f) 1 . These states mix with each other via conduction electrons. At low temperatures, the system forms renormalized bands with both quadrupole and dipole degrees of freedom due to the quadrupolar Kondo effect which slightly mixes quadrupolar Γ 5 , a primary state of uranium ions, with dipolar Γ 7 . At a certain low temperature, conduction electrons in the renormalized bands undergo quadrupolar ordering with a large quadrupolar moment. At a further lower temperature, octupolar ordering occurs, accompanied by a tiny dipolar moment which is attributed to the property of the renormalized bands with primarily the Γ 5 -character slightly mixed with the Γ 7 -character. These phenomena are well described by the 1/N-expansion method with pseudo-fermions for the non-Kramers doublet Γ 5 and slave bosons for the Kramers doublet Γ 7 . (author)

Electric Field Effects on the Hidden Order of Microstructured URu₂Si₂

Energy Technology Data Exchange (ETDEWEB)

Stritzinger, Laurel Elaine Winter [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Mcdonald, Ross David [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Harrison, Neil [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Moll, P.J.W. [Max Planck Society, Dresden (Germany); Shekhter, A. [Florida State Univ., Tallahassee, FL (United States). National High Magnetic Field Lab. (MagLab); Ramshaw, B.J. [Cornell Univ., Ithaca, NY (United States); Bauer, Eric Dietzgen [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2017-03-23

Despite being studied for over 30 years there is still continual interest in they heavy-fermion URu₂Si₂ due largely in part to the still disagreed upon origin of the so-called hidden-order (HO) state that arises below THO = 17.5 K. While both the application of pressure and high magnetic fields have been shown to suppress the HO state, one mechanism that has yet to be explored is the application of an electric field, most likely due to the difficulty of measuring such an effect in a metal. To overcome this challenge we have used focused ion beam (FIB) lithography to obtain the necessary sample geometry to create an electric field across a small section of the sample by applying a voltage. Our results suggest that at low temperatures the application of an electric field is able to suppress the hidden order state.

Study of electrical transport properties of (U 1- xY x)RuP 2Si 2

Science.gov (United States)

Radha, S.; Park, J.-G.; Roy, S. B.; Coles, B. R.; Nigam, A. K.; McEwen, K. A.

1996-02-01

Electrical resistivity and magnetoresistance ( {δϱ}/{ϱ}) measurements on a series of (U 1- xY x)Ru 2Si 2 (0 ⩽ x ⩽ 0.9) compounds in the temperature range 4.2-300 K and in magnetic fields up to 45 kOe are reported. The resistivity measurements do not show any signature of antiferromagnetism for x > 0.5. The compound URu 2Si 2 exhibits a large, positive ( {δϱ}/{ϱ}) presumably due to destruction of Kondo coherence as well as due to antiferromagnetism. The presence of even 5% Y at U-site weakens the Kondo coherence and reduces the magnetoresistance considerably.

Magnetic properties of URu2Si2 under uniaxial stress by neutron scattering

International Nuclear Information System (INIS)

Bourdarot, Frederic; Martin, Nicolas; Raymond, Stephane; Regnault, Louis-Pierre; Aoki, Dai; Taufour, Valentin; Flouquet, Jacques

2011-01-01

The aim of this study is to compare the magnetic behavior of URu 2 Si 2 under uniaxial stress along the a axis with the behavior under hydrostatic pressure. Both are very similar, but uniaxial stress presents a critical stress σ x a [0.33(5) GPa] that is smaller than the hydrostatic critical pressure p x (0.5 GPa) where the ground state switches from a HO (hidden-order) to AF (antiferromagnetic) ground state. From these critical values and Larmor neutron diffraction, we conclude that the magnetic properties are governed by the shortest U-U distance in the plane (a lattice parameter). Under stress, the orthorhombic unit cell stays centered. A key point shown by this study is the presence of a threshold for the uniaxial stress along the a axis before the appearance of the large AF moment, which indicates no mixture of the order parameter between the HO ground state and the AF one as under hydrostatic pressure. The two most intense longitudinal magnetic excitations at Q 0 =(1,0,0) and Q 1 =(0.6,0,0) were measured in the HO state: the excitation at Q 0 decreases in energy while the excitation at Q 1 increases in energy with the uniaxial stress along the a axis. The decrease of the energy of the excitation at Q 0 seems to indicate a critical energy-gap value of 1.2(1) meV at σ x a . A similar value was derived from studies under hydrostatic pressure at p x .

Superconductivity in the ternary rare-earth (Y, La, and Lu) compounds RPd2Si2 and RRh2Si2

NARCIS (Netherlands)

Palstra, T.T.M.; Lu, G.; Menovsky, A.A.; Nieuwenhuys, G.J.; Kes, P.H.; Mydosh, J.A.

1986-01-01

We have investigated the superconducting and metallurgical properties of the ternary compounds RPd2Si2 and RRh2Si2 with R = Y, La, and Lu. All RPd2Si2 compounds and LaRh2Si2 were found to be type-I superconductors below 1 K. A detailed metallurgical analysis shows that segregation of second phases

Magnetic domain structure and domain-wall energy in UFe8Ni2Si2 and UFe6Ni4Si2 intermetallic compounds

International Nuclear Information System (INIS)

Wyslocki, J.J.; Suski, W.; Wochowski, K.

1994-01-01

Magnetic domain structures in the UFe 8 Ni 2 Si 2 and UFe 6 Ni 4 Si 2 compounds were studied using the powder pattern method. The domain structure observed is typical for uniaxial materials. The domain-wall energy density γ was determined from the average surface domain width D s observed on surfaces perpendicular to the easy axis as equal to 16 erg/cm 2 for UFe 8 Ni 2 Si 2 and 10 erg/cm 2 for UFe 6 Ni 4 Si 2 . Moreover, the critical diameter for single domain particle D c was calculated for the studied compounds

Thermal stability of polyoxometalate compound of Keggin K8[2-SiW11O39]∙nH2O supported with SiO2

Directory of Open Access Journals (Sweden)

Yunita Sari M A

2017-06-01

Full Text Available Synthesis through sol-gel method and characterization of polyoxometalate compound of K8[b2-SiW11O39]∙nH2O supported with SiO2 have been done. The functional groups of polyoxometalate compound  was characterized by FT-IR spectrophotometer for the fungtional groups and the degree’s of crystalinity  using XRD. The acidity of K8[b2-SiW11O39]∙nH2O/SiO2 was determined qualitative analysis using ammonia and pyridine adsorption and the quantitative analysis using potentiometric titration method. The results of FT-IR spectrum of K8[b2-SiW11O39]∙nH2O appeared at  wavenumber 987.55 cm-1 (W=O, 864.11 cm-1 (W-Oe-W, 756.1 cm-1 (W-Oc-W, 3425.58 cm-1 (O-H, respectively and spectrum of  K8[b2-SiW11O39]SiO2 appeared at wavenumber  956.69 cm-1 (W=O, 864.11 cm-1 (W-Oe-W, 3448.72 cm-1 (O-H, respectively. The diffraction of XRD pattern of K8[b2-SiW11O39]∙nH2O and K8[b2-SiW11O39]∙nH2O/SiO2 compounds show high crystalinity. The acidic properties showed K8[b2-SiW11O39]∙nH2O/SiO2 more acidic compared to K8[b2-The SiW11O39]∙nH2O. The qualitative analysis showed pyridine compound adsorbed more of polyoxometalate compound of K8[b2-SiW11O39]∙nH2O/SiO2. Analysis of stability showed that the K8[b2-SiW11O39]∙nH2O/SiO2 at temperature 500°C has structural changes compare to 200-400oC which was indicated from vibration at wavenumber 800-1000 cm-1. Keywords : K8[b2-SiW11O39]∙nH2O, polyoxometalate, SiO2.

Discovery of a new phase with magnetic short range correlations and its possible relevance for the hidden order in URu{sub 2}Si{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Sykora, Steffen [IFW Dresden, P.O. Box 270116, D-01171 Dresden (Germany); Becker, Klaus W. [Technische Universitaet Dresden, D-01062 Dresden (Germany)

2016-07-01

In this paper we discuss a new phase of the Kondo lattice model which arises from the competition of Kondo and RKKY energy scales. Normally the Kondo lattice model is used to capture the low-energy physics of heavy fermion systems. However, according to the so-called Doniach picture the Kondo state will be replaced by an antiferromagnetic state for the case that the Kondo energy scale becomes smaller than the magnetic interaction between magnetic ions. In the present study we start instead from a modified electronic one-particle dispersion which avoids nesting of particle-hole excitations. Thus the magnetic ordered state should be suppressed which provides an opportunity for the inset of a new low-energy state with competing Kondo and magnetic energies. As will be shown, this new state avoids magnetic symmetry breaking but leads to a number of physical properties which are relevant for the understanding of the hidden order state in URu{sub 2}Si{sub 2}.

Magnetic ordering in Sc{sub 2}CoSi{sub 2}-type R{sub 2}FeSi{sub 2} (R=Gd, Tb) and R{sub 2}CoSi{sub 2} (R=Y, Gd–Er) compounds

Energy Technology Data Exchange (ETDEWEB)

Morozkin, A.V., E-mail: morozkin@tech.chem.msu.ru [Department of Chemistry, Moscow State University, Leninskie Gory, House 1, Building 3, GSP-2, Moscow 119992 (Russian Federation); Knotko, A.V. [Department of Chemistry, Moscow State University, Leninskie Gory, House 1, Building 3, GSP-2, Moscow 119992 (Russian Federation); Yapaskurt, V.O. [Department of Petrology, Geological Faculty, Moscow State University, Leninskie Gory, Moscow 119992 (Russian Federation); Pani, M. [Department of Chemistry, University of Genova, Via Dodecaneso 31, 16146 Genova (Italy); Institute SPIN-CNR, C. Perrone 24, 16152 Genova (Italy); Nirmala, R. [Indian Institute of Technology Madras, Chennai 600036 (India); Quezado, S.; Malik, S.K. [Departamento de Física Teórica e Experimental, Universidade Federal do Rio Grande do Norte, Natal 59082-970 (Brazil)

2016-09-01

Magnetic and magnetocaloric properties of Sc{sub 2}CoSi{sub 2}-type R{sub 2}TSi{sub 2} (R=Gd–Er, T=Fe, Co) compounds have been studied using magnetization data. These indicate the presence of mixed ferromagnetic and antiferromagnetic interactions in these compounds. One observes a ferromagnetic transition followed by an antiferromagnetic order and a further possible spin-reorientation transition at low temperatures. Compared to Gd{sub 2}{Fe, Co}Si{sub 2}, the Tb{sub 2}FeSi{sub 2} and {Tb–Er}{sub 2}CoSi{sub 2} compounds exhibit remarkable hysteresis (for e.g. Tb{sub 2}FeSi{sub 2} shows residual magnetization M{sub res}/Tb=2.45 μ{sub B}, coercive field H{sub coer}=14.9 kOe, and critical field H{sub crit}~5 kOe at 5 K) possibly due to the magnetocrystalline anisotropy of the rare earth. The R{sub 2}{Fe, Co}Si{sub 2} show relatively small magnetocaloric effect (i.e. isothermal magnetic entropy change, ΔS{sub m}) around the magnetic transition temperature: the maximal value of MCE is demonstrated by Ho{sub 2}CoSi{sub 2} (ΔS{sub m}=−8.1 J/kg K at 72 K and ΔS{sub m}=−9.4 J/kg K at 23 K in field change of 50 kOe) and Er{sub 2}CoSi{sub 2} (ΔS{sub m}=−13.6 J/kg K at 32 K and ΔS{sub m}=−8.4 J/kg K at 12 K in field change of 50 kOe). - Highlights: • {Gd–Er}{sub 2}{Fe, Co}Si{sub 2} show high-temperature ferromagnetic-type transitions. • {Gd–Er}{sub 2}{Fe, Co}Si{sub 2} show low-temperature spin-reorientation transitions. • Tb{sub 2}FeSi{sub 2} and {Tb–Er}{sub 2}CoSi{sub 2} compounds exhibit low-temperature hysteresis. • Tb{sub 2}FeSi{sub 2} shows M{sub res}/Tb=2.45 μ{sub B}, H{sub coer}=14.9 kOe and H{sub crit} ~5 kOe at 5 K • Considerable magnetocaloric effect is exhibited by Ho{sub 2}CoSi{sub 2} and Er{sub 2}CoSi{sub 2}.

Large positive magnetoresistance in intermetallic compound NdCo2Si2

Science.gov (United States)

Roy Chowdhury, R.; Dhara, S.; Das, I.; Bandyopadhyay, B.; Rawat, R.

2018-04-01

The magnetic, magneto-transport and magnetocaloric properties of antiferromagnetic intermetallic compound NdCo2Si2 (TN = 32K) have been studied. The compound yields a positive magnetoresistance (MR) of about ∼ 123 % at ∼ 5K in 8 T magnetic field. The MR value is significantly large vis - a - vis earlier reports of large MR in intermetallic compounds, and possibly associated with the changes in magnetic structure of the compound. The large MR value can be explained in terms of field induced pseudo-gaps on Fermi surface.

Conventional and inverse magnetocaloric effect in Pr2CuSi3 and Gd2CuSi3 compounds

International Nuclear Information System (INIS)

Wang, Fang; Yuan, Feng-ying; Wang, Jin-zhi; Feng, Tang-fu; Hu, Guo-qi

2014-01-01

Highlights: • Two phase transitions in a narrow temperature range were observed and studied. • Both typical and inverse magnetocaloric effect were observed and discussed. • The inverse magnetocaloric effect was attributed to the spin-glass behavior. - Abstract: Magnetic properties and magnetocaloric effect (MCE) in Pr 2 CuSi 3 and Gd 2 CuSi 3 compounds were investigated systematically. Both Pr 2 CuSi 3 and Gd 2 CuSi 3 compounds experienced two phase transitions in a relatively narrow temperature range: first a paramagnet (PM)–ferromagnet (FM) second-order phase transition at 12 and 26 K and then a FM–spin glass (SG) transition at 6 K and 7.5 K, respectively. The magnetic entropy change (ΔS M ) was calculated based on Maxwell relation using the collected magnetization data. The maximum of ΔS M for Pr 2 CuSi 3 and Gd 2 CuSi 3 compounds was 7.6 and 5 J kg −1 K −1 , respectively, at the applied filed change of 0–5 T. The shape of the temperature dependence of ΔS M (ΔS M –T) curve was obviously different from that of the conventional magnetic materials undergoing only one typical phase transition. In the left half part of ΔS M –T curve, ΔS M is not very sensitive to the applied field and they tend to intersect with the decrease of temperature. Both typical conventional and inverse MCE behavior were observed in Gd 2 CuSi 3 , which would be originated from the two transition features at the low temperatures

Selective adsorption of thiophenic compounds from fuel over TiO2/SiO2 under UV-irradiation.

Science.gov (United States)

Miao, Guang; Ye, Feiyan; Wu, Luoming; Ren, Xiaoling; Xiao, Jing; Li, Zhong; Wang, Haihui

2015-12-30

This study investigates selective adsorption of thiophenic compounds from fuel over TiO2/SiO2 under UV-irradiation. The TiO2/SiO2 adsorbents were prepared and then characterized by N2 adsorption, X-ray diffraction and X-ray photoelectron spectroscopy. Adsorption isotherms, selectivity and kinetics of TiO2/SiO2 were measured in a UV built-in batch reactor. It was concluded that (a) with the employment of UV-irradiation, high organosulfur uptake of 5.12 mg/g was achieved on the optimized 0.3TiO2/0.7SiO2 adsorbent at low sulfur concentration of 15 ppmw-S, and its adsorption selectivity over naphthalene was up to 325.5; (b) highly dispersed TiO2 served as the photocatalytic sites for DBT oxidation, while SiO2 acted as the selective adsorption sites for the corresponding oxidized DBT using TiO2 as a promoter, the two types of active sites worked cooperatively to achieve the high adsorption selectivity of TiO2/SiO2; (c) The kinetic rate-determining step for the UV photocatalysis-assisted adsorptive desulfurization (PADS) over TiO2/SiO2 was DBT oxidation; (d) consecutive adsorption-regeneration cycles suggested that the 0.3TiO2/0.7SiO2 adsorbent can be regenerated by acetonitrile washing followed with oxidative air treatment. This work demonstrated an effective PADS approach to greatly enhance adsorption capacity and selectivity of thiophenic compounds at low concentrations for deep desulfurization under ambient conditions. Copyright © 2015 Elsevier B.V. All rights reserved.

Magnetic ordering of YPd{sub 2}Si-type HoNi{sub 2}Si and ErNi{sub 2}Si compounds

Energy Technology Data Exchange (ETDEWEB)

Morozkin, A.V., E-mail: morozkin@tech.chem.msu.ru [Department of Chemistry, Moscow State University, Leninskie Gory, House 1, Building 3, GSP-2, Moscow, 119992 (Russian Federation); Isnard, O. [CNRS, Insitut. Néel, 25 Rue Des Martyrs BP166 x, F-38042 Grenoble (France); Université Grenoble Alpes, Inst. Néel, F-38042 Grenoble (France); Nirmala, R. [Indian Institute of Technology Madras, Chennai 600 036 (India); Quezado, S.; Malik, S.K. [Departamento de Física Teórica e Experimental, Universidade Federal do Rio Grande do Norte, Natal 59082-970 (Brazil)

2016-12-01

Magnetic properties of YPd{sub 2}Si-type HoNi{sub 2}Si and ErNi{sub 2}Si were investigated via neutron diffraction and magnetisation measurements. HoNi{sub 2}Si and ErNi{sub 2}Si show ferromagnetic-like ordering at T{sub C} of 9 K and 7 K, respectively. The paramagnetic Weiss temperatures are 9 K and 11 K and the effective magnetic moments are 10.76 μ{sub B}/fu and 9.79 μ{sub B}/fu for HoNi{sub 2}Si and ErNi{sub 2}Si compounds, respectively. The HoNi{sub 2}Si and ErNi{sub 2}Si are soft ferromagnets with saturation magnetization of 8.1 μ{sub B}/fu and 7.5 μ{sub B}/fu, respectively at 2 K and in field of 140 kOe. The isothermal magnetic entropy change, ΔS{sub m}, has a maximum value of −15.6 J/kg·K at 10 K for HoNi{sub 2}Si and −13.9 J/kg·K at 6 K for ErNi{sub 2}Si for a field change of 50 kOe. Neutron diffraction study in zero applied field shows mixed ferromagnetic-antiferromagnetic ordering of HoNi{sub 2}Si at ~9 K and its magnetic structure is a sum of a-axis ferromagnetic F{sub a}, b-axis antiferromagnetic AF{sub b} and c-axis antiferrromagnetic AF{sub c} components of Pn′a2{sub 1}′={1, m_x′/[1/2, 1/2, 1/2], 2_y′/[0, 1/2, 0], m_z/[1/2, 0, 1/2]} magnetic space group and propagation vector K{sub 0}=[0, 0, 0]. The holmium magnetic moment reaches a value of 9.23(9) μ{sub B} at 1.5 K and the unit cell of HoNi{sub 2}Si undergoes isotropic contraction around the temperature of magnetic transition. - Graphical abstract: HoNi{sub 2}Si: mixed ferro-antiferromagnet (F{sub a}+AF{sub b}+AF{sub c}){sup K0} with Pn′a2{sub 1}′ magnetic space group and K{sub 0}=[0, 0, 0] propagation vector below 10 K. - Highlights: • Ferro-antiferromagnetic ordering is observed in HoNi{sub 2}Si at 9 K and in ErNi{sub 2}Si at 7 K. • HoNi{sub 2}Si is soft ferromagnet with ΔS{sub m} of −15.6 J/kg·K at 10 K in field of 0–50 kOe. • ErNi{sub 2}Si is soft ferromagnet with ΔS{sub m} of −13.9 J/kg·K at 6 K in field of 0–50 kOe. • HoNi{sub 2}Si shows mixed F�

Hydrodeoxygenation of lignin-derived phenolic compounds to hydrocarbons over Ni/SiO2-ZrO2 catalysts.

Science.gov (United States)

Zhang, Xinghua; Zhang, Qi; Wang, Tiejun; Ma, Longlong; Yu, Yuxiao; Chen, Lungang

2013-04-01

Inexpensive non-sulfided Ni-based catalysts were evaluated for hydrodeoxygenation (HDO) using guaiacol as model compound. SiO2-ZrO2 (SZ), a complex oxide synthesized by precipitation method with different ratio of Si/Zr, was impregnated with Ni(NO3)2·6H2O and calcined at 500°C. Conversion rates and product distribution for guaiacol HDO at 200-340°C were determined. Guaiacol conversion reached the maximum at 300°C in the presence of Ni/SZ-3. When HDO reaction was carried out with real lignin-derived phenolic compounds under the optimal conditions determined for guaiacol, the total yield of hydrocarbons was 62.81%. These hydrocarbons were comprised of cyclohexane, alkyl-substituted cyclohexane and alkyl-substituted benzene. They have high octane number, would be the most desirable components for fungible liquid transportation fuel. Copyright © 2013 Elsevier Ltd. All rights reserved.

Magnetocrystalline anisotropy constants, rotational hysteresis energy and magnetic domain structure in UFe6Al6, UFe9AlSi2 and ScFe10Si2 intermetallic compounds

International Nuclear Information System (INIS)

Wyslocki, J.J.; Pawlik, P.; Wochowski, K.; Kotur, B.; Bodak, O.I.

1996-01-01

The magnetic torque, T, was applied to determine the anisotropy constants K 1 and K 2 of the UFe 6 Al 6 , UFe 9 AlSi 2 and ScFe 10 Si 2 compounds. The mechanism of magnetization reversal processes in these compounds was investigated on the basis of the analysis of the rotational hysteresis energy, W r and rotational hysteresis integral, R, calculated from the magnetic torque curves. Applying the powder pattern method, magnetic domain structures were observed. Moreover, the fundamental parameters of the domain structure were determined. (orig.)

Magnetic properties of two new compounds: Pr2Ni3Si5 and Ho2Ni3Si5

International Nuclear Information System (INIS)

Mazumdar, C.; Padalia, B.D.; Godart, C.

1994-01-01

Formation of two more new materials, Pr 2 Ni 3 Si 5 and Ho 2 Ni 3 Si 5 , of the series, R 2 Ni 3 Si 5 (R = rare earth and Y) and their magnetic properties are reported here. These materials crystallize in the orthorhombic U 2 Co 3 Si 5 -type structure (space group Ibam). Magnetic susceptibility measurement in the temperature range 5 K--300 K show that the compound Pr 2 Ni 3 Si 5 order antiferromagnetically at T N ∼ 8.5 K and Ho 2 Ni 3 Si 5 at ∼ 6 K. Considering T N (Gd 2 Ni 3 Si 5 ) ∼ 15 K, T N (Pr 2 Ni 3 Si 5 ) ∼ 8.5 K is rather high. The magnetic susceptibility of both of the materials, in the paramagnetic state, follows a Curie-Weiss law with effective moment close to that of the corresponding free trivalent rare earth ion

(Gd1−xErx)5Si2Ge2 compounds

Indian Academy of Sciences (India)

Gd metal (3 N) by arc melting, and then annealed at 1523 K (3 h). The phase, microstructure, Curie ... The temperature of magnetic transition decreases linearly from 281 K to 177 K with the increase of Er content from x = 0–0·2. ... Gd5Si2Ge2 serial compounds, different rare earth elements substituted for Gd in Gd5(Six ...

Topotactic synthesis of the overlooked multilayer silicene intercalation compound SrSi2.

Science.gov (United States)

Tokmachev, A M; Averyanov, D V; Karateev, I A; Parfenov, O E; Vasiliev, A L; Yakunin, S N; Storchak, V G

2016-09-28

Silicene, a 2D honeycomb lattice of Si atoms similar to graphene, is expected to be a platform for nanoelectronics and home to novel quantum phenomena. Unlike graphene, free-standing silicene is notoriously difficult to stabilize, while strong hybridization of silicene with substrates destroys its desirable properties. On the other hand, Dirac cones of silicene are effectively realized in a bulk - stoichiometric ionic multilayer silicene intercalation compound CaSi2. Besides, a number of new 2D silicene-based materials are synthesized employing CaSi2 as a precursor. However, the rather complex atomic structure of CaSi2 and fresh opportunities of physical and chemical breakthroughs drive the search for alternative compounds with silicene networks. Here, a new polymorph of SrSi2 is synthesized, enjoying both the structure of intercalated multilayer silicene and the simplest possible stacking of silicene sheets. The MBE-quality synthesis accomplished on Si(001) and Si(111) surfaces leads to epitaxial films of SrSi2 with orientation controlled by the substrate, as revealed by XRD, RHEED and electron microscopy studies. The structural SrSi2/Si relation is mirrored in the transport properties of the films.

Antiferromagnetic ordering of Er2NiSi3 compound

International Nuclear Information System (INIS)

Pakhira, Santanu; Mazumdar, Chandan; Ranganathan, R.

2014-01-01

Ternary intermetallics of the stoichiometric composition R 2 TX 3 , where, R = rare earth element, T = d-electron transition metal and X= p-electron element, crystallizes in hexagonal A1B 2 type crystal structure with space group P6/mmm. We report here the synthesis and basic magnetic properties of the compound Er 2 NiSi 3 . Paramagnetic to antiferromagnetic phase change occurs below 5.4 K for this compound. (author)

Selective adsorption of thiophenic compounds from fuel over TiO{sub 2}/SiO{sub 2} under UV-irradiation

Energy Technology Data Exchange (ETDEWEB)

Miao, Guang [School of Chemistry and Chemical Engineering, South China University of Technology, Guangzhou 510640 (China); Ye, Feiyan [Key Laboratory of Enhanced Heat Transfer and Energy Conservation of the Ministry of Education South China University of Technology, Guangzhou 510640 (China); Wu, Luoming; Ren, Xiaoling [School of Chemistry and Chemical Engineering, South China University of Technology, Guangzhou 510640 (China); Xiao, Jing, E-mail: cejingxiao@scut.edu.cn [School of Chemistry and Chemical Engineering, South China University of Technology, Guangzhou 510640 (China); Li, Zhong, E-mail: cezhli@scut.edu.cn [Key Laboratory of Enhanced Heat Transfer and Energy Conservation of the Ministry of Education South China University of Technology, Guangzhou 510640 (China); Wang, Haihui [Key Laboratory of Enhanced Heat Transfer and Energy Conservation of the Ministry of Education South China University of Technology, Guangzhou 510640 (China)

2015-12-30

Highlights: • TiO{sub 2}/SiO{sub 2} was developed for selective adsorption of DBTs under UV irradiation. • Remarkable adsorption uptake and selectivity were achieved for deep desulfurization. • Introduction of TiO{sub 2} into SiO{sub 2} enhanced its adsorption for DBTO{sub 2}. • Adsorption mechanism using TiO{sub 2}/SiO{sub 2} under UV irradiation was elucidated. - Abstract: This study investigates selective adsorption of thiophenic compounds from fuel over TiO{sub 2}/SiO{sub 2} under UV-irradiation. The TiO{sub 2}/SiO{sub 2} adsorbents were prepared and then characterized by N{sub 2} adsorption, X-ray diffraction and X-ray photoelectron spectroscopy. Adsorption isotherms, selectivity and kinetics of TiO{sub 2}/SiO{sub 2} were measured in a UV built-in batch reactor. It was concluded that (a) with the employment of UV-irradiation, high organosulfur uptake of 5.12 mg/g was achieved on the optimized 0.3TiO{sub 2}/0.7SiO{sub 2} adsorbent at low sulfur concentration of 15 ppmw-S, and its adsorption selectivity over naphthalene was up to 325.5; (b) highly dispersed TiO{sub 2} served as the photocatalytic sites for DBT oxidation, while SiO{sub 2} acted as the selective adsorption sites for the corresponding oxidized DBT using TiO{sub 2} as a promoter, the two types of active sites worked cooperatively to achieve the high adsorption selectivity of TiO{sub 2}/SiO{sub 2}; (c) The kinetic rate-determining step for the UV photocatalysis-assisted adsorptive desulfurization (PADS) over TiO{sub 2}/SiO{sub 2} was DBT oxidation; (d) consecutive adsorption-regeneration cycles suggested that the 0.3TiO{sub 2}/0.7SiO{sub 2} adsorbent can be regenerated by acetonitrile washing followed with oxidative air treatment. This work demonstrated an effective PADS approach to greatly enhance adsorption capacity and selectivity of thiophenic compounds at low concentrations for deep desulfurization under ambient conditions.

Fermi surfaces of YRu2Si2 and LaRu2Si2

International Nuclear Information System (INIS)

Settai, R.; Ikezawa, H.; Toshima, H.; Takashita, M.; Ebihara, T.; Sugawara, H.; Kimura, T.; Motoki, K.; Onuki, Y.

1995-01-01

We have measured the de Haas-van Alphen effect of YRu 2 Si 2 and LaRu 2 Si 2 to clarify the Fermi surfaces and cyclotron masses. Main hole-Fermi surfaces of both compounds with a distorted ellipsoid shape are similar, occupying about half of the Brillouin zone. The small hole-Fermi surfaces with the shape of a rugby ball are three in number for LaRu 2 Si 2 , and one for YRu 2 Si 2 . An electron-Fermi surface consists of a doughnut like shape for LaRu 2 Si 2 , while a cylinder along the [001] direction and a multiply-connected shape exist for YRu 2 Si 2 . The cyclotron masses of YRu 2 Si 2 are a little larger than those of LaRu 2 Si 2 . ((orig.))

Spin correlations in (Mn,Fe)2(P,Si) magnetocaloric compounds above Curie temperature

NARCIS (Netherlands)

Miao, X.F.; Caron, L.; Gubbens, P.C.M.; Yaouanc, A; Dalmas de Réotier, P; Luetkens, H.; Amato, A; van Dijk, N.H.; Brück, E.H.

2016-01-01

The longitudinal-field muon-spin relaxation (LF-μSR) technique was employed to study the spin correlations in (Mn,Fe)2(P,Si) compounds above the ferromagnetic transition temperature (TC). The (Mn,Fe)2(P,Si) compound under study is found to show itinerant magnetism. The standard deviation of the

Mixed valence and metamagnetism in a metal flux grown compound Eu2Pt3Si5

International Nuclear Information System (INIS)

Sarkar, Sumanta; Subbarao, Udumula; Joseph, Boby; Peter, Sebastian C.

2015-01-01

A new compound Eu 2 Pt 3 Si 5 with plate shaped morphology has been grown from excess In flux. The compound crystallizes in the orthorhombic U 2 Co 3 Si 5 structure type, Ibam space group and the lattice parameters are a=10.007(2) Å, b=11.666(2) Å and c=6.0011(12) Å. The crystal structure of this compound can be conceived as inter-twinned chains of [Pt 2 Si 2 ] and [PtSi 3 ] tetrahedra connected along [100] direction to give rise to a complex three dimensional [Pt 3 Si 5 ] network. Temperature dependent magnetic susceptibility data suggests that Eu 2 Pt 3 Si 5 undergoes a strong antiferromagnetic ordering (T N =19 K) followed by a weak ferromagnetic transition (T C =5.5 K). The effective magnetic moment/Eu obtained from susceptibility data is 6.78 μ B accounts mixed valent Eu with almost 85% divalent Eu, which is supported by X-ray absorption near edge spectroscopy. The compound undergoes a metamagnetic transition under applied magnetic field through a probable spin flop mechanism. - Graphical abstract: Eu 2 Pt 3 Si 5 , a new member in the U 2 Co 3 Si 5 (Ibam) family undergoes metamagnetic transition at high magnetic field and Eu is in mixed valence state. - Highlights: • A new compound Eu 2 Pt 3 Si 5 has been synthesized using indium as an inactive metal flux. • The compound undergoes metamagnetic transition at higher field. • Eu in this compound resides in a mixed valence state

Crystal growth of uranium compounds and study of UGe2

International Nuclear Information System (INIS)

Taufour, V.

2011-01-01

In this thesis, the study on the superconducting ferromagnet UGe 2 is presented. Crystal growth of UGe 2 single crystals was realized in a tetra-arc furnace using the Czochralski technique. This technique was also used to obtain high quality single crystals of other uranium compounds, notably UCoGe and URu 2 Si 2 . The Curie temperature of UGe 2 (T(Curie) = 53 K) decreases with pressure and is suppressed at p c = 1.5 GPa. Before being suppressed, the ferromagnetic transition changes from second to first order at a tricritical point. Precise resistivity and Hall resistivity measurements under pressure and magnetic field revealed the position of the tricritical point as well as its evolution under magnetic field which draw a wing structure phase diagram. Despite the theoretical prediction that this diagram is general for a ferromagnet, here we present the first experimental observation. Other measurements focus on the superconductivity (T sc = 0.75 K) which coexists with ferromagnetism under pressure. The bulk nature of the superconductivity is investigated by AC calorimetry measurements under pressure. The attention is turned to the interesting phenomenon of field enhanced superconductivity. (author) [fr

Supraconductivity of TR-Ru3Si2 compounds (TR = La, Ce)

International Nuclear Information System (INIS)

Godart, C.; Gupta, L.C.; Parks, R.D.; Rauschwalbe, U.; Alheim, U.; Gottwick, U.; Lieke, W.; Steglich, F.

1984-01-01

A new family of superconducting ternary silicides MRu 3 Si 2 with M = La (Tsub(s) approximately 7 K), Y and Th was discovered by Barz and Vandenberg. Same compounds with M from Nd to Tm are magnetic and not superconductors. We studied superconductivity in the solid solution Cesub(1-x)Lasub(x)Ru 3 Si 2 of hexagonal structure from x = 0 to 1. CeRu 3 Si 2 is type II superconductor (Tsub(s) approximately 1 K), like LaRu 3 Si 2 , and is mixed valent (M.V.). Spin fluctuations temperature (Tsub(sf) approximately 440 K) is between these of non superconducting M.V. like CeSn 3 (Tsub(sf) approximately 270) and these of superconducting M.V. like CeRu 2 (Tsub(sf) approximately 770 K). Cesub(1-x)Lasub(x)Ru 3 Si 2 is the first M.V. system of Ce which is superconductor from x = 0 to 1 [fr

Crystal growth and magnetic property of a new compound CeAu4Si2

International Nuclear Information System (INIS)

Nakashima, Hiroshi; Thamizhavel, Arumugam; Matsuda, Tatsuma D.; Haga, Yoshinori; Takeuchi, Tetsuya; Sugiyama, Kiyohiro; Settai, Rikio; Onuki, Yoshichika

2006-01-01

We have succeeded in growing a new ternary Ce compound CeAu 4 Si 2 . This compound crystallizes in the tetragonal crystal structure P4-bar m2 (-bar 1-bar 1-bar 5) with lattice parameters a=4.3304 -bar A and c=27.409 -bar A. The local environment around Ce atoms is similar to that of the well-known ThCr 2 Si 2 -type tetragonal structure in CeAu 2 Si 2 . Single crystals of CeAu 4 Si 2 were grown by the flux method using an Au 4.37 Si eutectic alloy as flux. Electrical resistivity, specific heat and magnetization measurements revealed a ferromagnetic ordering at T C =5.3 -bar K with a saturation moment of 1.7-bar μ B /Ce. Anisotropic features in the magnetic susceptibility and magnetization were well explained by a crystalline electric field (CEF) model. Estimated excitation energies from the ground state doublet to two excited doublets are 284 and 340-bar K, respectively

Neutron scattering study on R2PdSi3 (R=Ho,Er,Tm) compounds

International Nuclear Information System (INIS)

Tang, Fei

2010-01-01

Previous studies on the family of inter-metallic rare-earth compounds R 2 PdSi 3 revealed multifaceted magnetic properties, for instance, spin-glass like behavior. Experimental observations include: Signs of a crystallographic superstructure, complicated magnetic structures both in zero field and in applied magnetic fields as well as a generic phase in applied fields for compounds in the series with the heavy rare-earths R=Gd, Tb, Dy, Ho, Er and Tm. This thesis expands the studies on the magnetic properties of R 2 PdSi 3 employing mainly neutron scattering on single crystals with the focus on the compounds with R=Ho, Er and Tm. A detailed analysis of the crystallographic superstructure using modulation wave approach and group theory is presented. The resulting structure implies the existence of two different rare-earth sites with reduced symmetry and an arrangement of the different sites according to sequences as determined by the superstructure. It is shown that the reduced symmetry of the rare-earth sites is explicitly observed in the energy spectra of inelastic neutron scattering. The results on the magnetic structures and excitations are shown and discussed in the framework of the superstructure model. Specifically the generic phase in applied fields is interpreted as a direct consequence of the crystallographic superstructure. It is rather unusual that a crystallographic superstructure is playing such a decisive, and through the field dependence also tunable role in determining the magnetic properties as observed in R 2 PdSi 3 . The mediating interactions between the crystallographic part and the magnetic part of the system are discussed. (orig.)

Preparation and mass spectrometrical high temperature investigations on compounds of the quasi-ternary system Cs2O-Al2O3-SiO2

International Nuclear Information System (INIS)

Odoj, R.; Hilpert, K.; Nuernberg, H.W.

1977-09-01

Additions of aluminium oxide and silicen oxide to ceramic fuel for pyrocarbon-coated nuclear fuel paticles counteract a release of fission-cesium by compound formation. The vapourization tests carried out here using samples from the quasi-ternary system cesium-oxide-aluminium-oxide-silicon-oxide by means of high-temperature mass spectroscopy using a Knudsen cell served the optimization of this retention effect. The aim of the apparative changes on the knudsen cell were to shield heat radiation on the temperature measuring borehole through the tungsten wire cathode in order to be able to perform exact temperature measurements even below 1,000 0 C. A new method of preparation was developed to obtain defined cesium aluminium silicates whose composition was determined by Guinier and goniometer pictures as well as by microscopic investigations. According to the latter, 3 ternary compounds are present in the system investigated: CsAlSiO 4 , CsAlSi 2 O 6 and CsAlSi 5 O 12 . Their lattice constants were determined from goniometric measurements; the vapour pressure equection were set up from the measured cesium vapour pressure values over each sample and the enthalpies of the vapourization reactions were found to be 84 kcal for CsAlSiO 4 at 1,400 0 K, 100 kcal for CsAlSi 2 O 6 at 1,550 0 K and 122 kcal for CsAlSi 5 O 12 at 1,650 0 K. The cesium vapour pressures of the glas phases investigated of the system are above the Cs partial pressures of the solid crystalline phases of the same composition. The results of the work explain the causes of the reduction of the Cs release and show that the vapour pressure can be lowered by more than 10 orders of magnitude at reactor relevant temperatures by compound formation. (RB) [de

Synthesis, structure and chemical bonding of CaFe2−xRhxSi2 (x=0, 1.32, and 2) and SrCo2Si2

International Nuclear Information System (INIS)

Hlukhyy, Viktor; Hoffmann, Andrea V.; Fässler, Thomas F.

2013-01-01

The finding of superconductivity in Ba 0.6 K 0.4 Fe 2 As 2 put the attention on the investigation of compounds that crystallize with ThCr 2 Si 2 structure type such as AT 2 X 2 (A=alkali/alkaline earth/rare earth element; T=transition metal and X=element of the 13–15th group). In this context the silicides CaFe 2 Si 2 , CaFe 0.68(6) Rh 1.32(6) Si 2 , CaRh 2 Si 2 and SrCo 2 Si 2 have been synthesized by reaction of the elements under an argon atmosphere. Single crystals were obtained by special heat treatment in welded niobium/tantalum ampoules. The compounds were investigated by means of powder and single crystal X-ray diffraction. All compounds crystallize in the ThCr 2 Si 2 -type structure with space group I4/mmm (No. 139): a=3.939(1) Å, c=10.185(1) Å, R 1 =0.045, 85 F 2 values, 8 variable parameters for CaFe 2 Si 2 ; a=4.0590(2) Å, c=9.9390(8) Å, R 1 =0.030, 90 F 2 values, 10 variable parameters for CaFe 0.68(6) Rh 1.32(6) Si 2 ; a=4.0695(1) Å, c=9.9841(3) Å, R 1 =0.031, 114 F 2 values, 9 variable parameters for CaRh 2 Si 2 ; and a=3.974(1) Å, c=10.395(1) Å, R 1 =0.036, 95 F 2 values, 8 variable parameters for SrCo 2 Si 2 . The structure of SrCo 2 Si 2 contains isolated [Co 2 Si 2 ] 2− 2D-layers in the ab-plane whereas in CaFe 2−x Rh x Si 2 the [T 2 Si 2 ] layers (T=Fe and Rh) are interconnected along the c-axis via Si3Si bonds resulting in a three-dimentional (3D) [T 2 Si 2 ] 2− polyanions and therefore belong to the so-called collapsed form of the ThCr 2 Si 2 -type structure. The SrCo 2 Si 2 and CaRh 2 Si 2 are isoelectronic to the parent 122 iron–pnictide superconductors AeFe 2 As 2 (Ae=alkaline earth elements), whereas CaFe 2 Si 2 is a full substituted variant (As/Si) of CaFe 2 As 2 . The crystal chemistry and chemical bonding in the title compounds are discussed in terms of LMTO band structure calculations and a topological analysis using the Electron Localization Function (ELF). - Graphical abstract: The SrCo 2 Si 2 and CaFe 2−x Rh x Si

Analysis on the sequence of formation of Ti{sub 3}SiC{sub 2} and Ti{sub 3}SiC{sub 2}/SiC composites

Energy Technology Data Exchange (ETDEWEB)

Radhakrishnan, R.; Bhaduri, S.B. [Idaho Univ., Moscow, ID (United States). Dept. of Mining and Metallurgy; Henager, C.H. Jr. [Pacific Northwest Lab., Richland, WA (United States)

1995-05-01

Ti{sub 3}SiC{sub 2}, a compound in the ternary Ti-Si-C system, is reported to be ductile. This paper reports the sequence of formation of Ti{sub 3}SiC{sub 2} and Ti{sub 3}SiC{sub 2}/SiC composites involving either combustion synthesis or by displacement reaction, respectively. Onset of exothermic reaction temperatures were determined using Differential Thermal Analysis (DTA). Phases present after the exothermic temperatures were analyzed by X-Ray diffraction. Based on these observations, a route to formation of Ti{sub 3}SiC{sub 2} and Ti{sub 3}SiC{sub 2}/SiC composites is proposed for the two`s thesis methods.

Fabrication of FeSi and Fe{sub 3}Si compounds by electron beam induced mixing of [Fe/Si]{sub 2} and [Fe{sub 3}/Si]{sub 2} multilayers grown by focused electron beam induced deposition

Energy Technology Data Exchange (ETDEWEB)

Porrati, F.; Sachser, R.; Huth, M. [Physikalisches Institut, Goethe-Universität, Max-von-Laue-Str. 1, D-60438 Frankfurt am Main (Germany); Gazzadi, G. C. [S3 Center, Nanoscience Institute-CNR, Via Campi 213/a, 41125 Modena (Italy); Frabboni, S. [S3 Center, Nanoscience Institute-CNR, Via Campi 213/a, 41125 Modena (Italy); FIM Department, University of Modena and Reggio Emilia, Via G. Campi 213/a, 41125 Modena (Italy)

2016-06-21

Fe-Si binary compounds have been fabricated by focused electron beam induced deposition by the alternating use of iron pentacarbonyl, Fe(CO){sub 5}, and neopentasilane, Si{sub 5}H{sub 12} as precursor gases. The fabrication procedure consisted in preparing multilayer structures which were treated by low-energy electron irradiation and annealing to induce atomic species intermixing. In this way, we are able to fabricate FeSi and Fe{sub 3}Si binary compounds from [Fe/Si]{sub 2} and [Fe{sub 3}/Si]{sub 2} multilayers, as shown by transmission electron microscopy investigations. This fabrication procedure is useful to obtain nanostructured binary alloys from precursors which compete for adsorption sites during growth and, therefore, cannot be used simultaneously.

Chalcogenidosilicates: Ba/sub 2/SiTe/sub 4/ and Ba/sub 2/SiSe/sub 4/

Energy Technology Data Exchange (ETDEWEB)

Brinkmann, C; Eisenmann, B; Schaefer, H [Technische Hochschule Darmstadt (Germany, F.R.). Fachbereich Anorganische Chemie und Kernchemie

1985-05-01

The new compounds Ba/sub 2/SiSe/sub 4/ and Ba/sub 2/SiTe/sub 4/ crystallize in the monoclinic system, space group: P2/sub 1//m (No. 11) with the lattice constants Ba/sub 2/SiSe/sub 4/: a = 918.4(5) pm, b = 703.3(3) pm, c = 687.2(3) pm, ..beta.. = 109.2(1)/sup 0/, Ba/sub 2/SiTe/sub 4/: a = 965.0(5) pm, b = 762.6(3) pm, c = 746.6(3) pm, ..beta.. = 108.9(1)/sup 0/. Both compounds are isotypic to the Sr/sub 2/GeS/sub 4/ structure. Ba/sub 2/SiTe/sub 4/ is the first o-telluridosilicate with discrete SiTe/sub 4//sup 4 -/ anions.

Synthesis and crystallographic study of the compounds in the system Cs{sub 2}O - Al{sub 2}O{sub 3} - SiO{sub 2}; Synthese et etude cristallographique des composes du systeme Cs{sub 2}O - Al{sub 2}O{sub 3} - SiO{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Langlet, G [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

1969-05-01

A study has been made on the preparation, structure and thermal evolution of some definite compounds in the system: Cs{sub 2}O - Al{sub 2}O{sub 3} - SiO{sub 2}. Precise details are given about the structure of the following compounds: CsAlO{sub 2}, RbAlO{sub 2}, KAlO{sub 2} and NaAlO{sub 2}; CsAlO{sub 2}, 2 H{sub 2}O; Cs{sub 2}O, 11 Al{sub 2}O{sub 3}; Cs{sub 2}O, 2 SiO{sub 2}; Cs{sub 2}O, 4 SiO{sub 2} and Rb{sub 2}O, 4 SiO{sub 2}; CsAlSiO{sub 4}; CsAlSi{sub 2}O{sub 6}; Cs{sub 4}Ge{sub 11}O{sub 24} and Rb{sub 4}Ge{sub 11}O{sub 24}. The long term purpose of this work was to find a compound which would be insoluble, refractory and at the same time able to contain radioactive isotopes of cesium and thus suitable as radiation sources. The knowledge of the properties and structure of aluminates, silicates and aluminosilicates is a necessary stage before the elaboration of ceramic caesium sources. The compound which seems quite convenient for this use, Cs{sub 2}AlSi{sub 2}O{sub 6}, is closely related to the natural mineral 'pollucite', and offers interesting properties. (author) [French] Ce travail constitue une etude de la preparation, de la structure et de l'evolution thermique des composes definis du systeme: Cs{sub 2}O - Al{sub 2}O{sub 3} - SiO{sub 2} et de quelques homologues. Des precisions sont donnees sur la structure des composes suivants: CsAlO{sub 2}, RbAlO{sub 2}, KAlO{sub 2} et NaAlO{sub 2}; CsAlO{sub 2}, 2 H{sub 2}O; Cs{sub 2}O, 11 Al{sub 2}O{sub 3}; Cs{sub 2}O, 2 SiO{sub 2}; Cs{sub 2}O, 4 SiO{sub 2} et Rb{sub 2}O, 4 SiO{sub 2}; CsAlSiO{sub 4}; CsAlSi{sub 2}O{sub 6}; Cs{sub 4}Ge{sub 11}O{sub 24} et Rb{sub 4}Ge{sub 11}O{sub 24}. Le but a long terme de cette etude consistait a obtenir un compose a la fois refractaire et insoluble, susceptible de contenir un isotope radioactif du caesium, et d'etre utilise comme source de rayonnement. La connaissance des proprietes et de la structure des aluminates, silicates et aluminosilicates represente une etape necessaire

Energetic prediction on the stability of A2Mg12Si7, A2Mg4Si3, and AMgSi in the A2Si–Mg2Si system (A = Ca, Sr and Ba) and their calculated electronic structures

International Nuclear Information System (INIS)

Imai, Yoji; Mori, Yoshihisa; Nakamura, Shigeyuki; Takarabe, Ken-ichi

2014-01-01

Highlights: • Formation energies of A 2 Mg 4 Si 3 , A 2 Mg 12 Si 7 , and AMgSi (A = Ca,Sr,Ba) were calculated. • All AMgSi are quite stable compared to mixture of A 2 Si and Mg 2 Si. • Ba 2 Mg 4 Si 3 and Sr 2 Mg 4 Si 3 are predicted to be stable, but Ca 2 Mg 4 Si 3 is not. • Ca 2 Mg 12 Si 7 and Sr 2 Mg 12 Si 7 are energetically unstable. • Stability of Ba 2 Mg 12 Si 7 is a tender subject. -- Abstract: In order to evaluate the relative stability of A 2 Mg 4 Si 3 , A 2 Mg 12 Si 7 , and AMgSi (A = Ca, Sr, and Ba) in the A 2 Si–Mg 2 Si system, electronic energy changes in the formation of these compounds were calculated using a density-functional theory with the Perdew–Wang generalized gradient approximations. It was found that (1) AMgSi’s are quite stable compared to equi-molar mixture of A 2 Si and Mg 2 Si, (2) Ba 2 Mg 4 Si 3 and Sr 2 Mg 4 Si 3 are also stable, (3) Ca 2 Mg 4 Si 3 and Ca 2 Mg 12 Si 7 are less stable than the mixture of CaMgSi and Mg 2 Si, and (4) Stability of Ba 2 Mg 12 Si 7 is a tender subject and Sr 2 Mg 12 Si 7 is energetically unstable compared to the mixture of Sr 2 Mg 4 Si 3 (or, SrMgSi) and Mg 2 Si. The presence of Sr 2 Mg 12 Si 7 may be due to the vibrational and/or configurational entropy, which are not treated in the present study. From the calculated electronic densities of state, complex compounds of SrMgSi and Mg 2 Si have both p-type and n-type character, depending on the ratio of SrMgSi and Mg 2 Si in that compound

Synthesis, structural, electronic and linear electro-optical features of new quaternary Ag{sub 2}Ga{sub 2}SiS{sub 6} compound

Energy Technology Data Exchange (ETDEWEB)

Piasecki, M., E-mail: m.piasecki@ajd.czest.pl [Institute of Physics, Jan Dlugosz University, Armii Krajowej 13/15, PL-42-201 Czestochowa (Poland); Myronchuk, G.L. [Department of Solid State Physics, Lesya Ukrainka Eastern European National University, 13 Voli Ave., Lutsk 43025 (Ukraine); Parasyuk, O.V. [Department of Inorganic and Physical Chemistry, Lesya Ukrainka Eastern European National University, 13 Voli Ave., Lutsk 43025 (Ukraine); Khyzhun, O.Y. [Frantsevych Institute for Problems of Materials Science, National Academy of Sciences of Ukraine, 3 Krzhyzhanivsky St., Kyiv 03142 (Ukraine); Fedorchuk, A.O. [Department of Inorganic and Organic Chemistry, Lviv National University of Veterinary Medicine and Biotechnologies, 50 Pekarska Street, Lviv 79010 (Ukraine); Pavlyuk, V.V. [Department of Inorganic Chemistry, Ivan Franko National University of Lviv, 6 Kyryla and Mefodiya St., 79005 Lviv (Ukraine); Institute of Chemistry, Environment Protection and Biotechnology, Jan Dlugosz University, al. Armii Krajowej 13/15, 42-200 Czestochowa (Poland); Kozer, V.R.; Sachanyuk, V.P. [Department of Inorganic and Physical Chemistry, Lesya Ukrainka Eastern European National University, 13 Voli Ave., Lutsk 43025 (Ukraine); El-Naggar, A.M. [Physics Department, Faculty of Science, Ain Shams University, Abassia, Cairo 11566 (Egypt); Research Chair of Exploitation of Renewable Energy Applications in Saudi Arabia, Physics & Astronomy Department, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451 (Saudi Arabia); Albassam, A.A. [Research Chair of Exploitation of Renewable Energy Applications in Saudi Arabia, Physics & Astronomy Department, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451 (Saudi Arabia); Jedryka, J.; Kityk, I.V. [Faculty of Electrical Engineering, Czestochowa University Technology, Armii Krajowej 17, Czestochowa (Poland)

2017-02-15

} including the detailed study of the phase equilibria in the AgGaS{sub 2}–SiS{sub 2} system to determine the physico-chemical conditions of its formation. We examined crystal structure of the compound by X-ray powder method, its electronic structure by XPS method. Finally we have found these crystals like promising material for nonlinear optical, electrooptical and piezoelectric applications. - Highlights: • Phase diagram of the AgGaS{sub 2}–SiS{sub 2} system was successfully described at first time. • Crystal Ag{sub 2}Ga{sub 2}SiS{sub 6} was grown and its structure was determined. • Electronic structure and chemical bonding of the Ag{sub 2}Ga{sub 2}SiS{sub 6} crystal were examined by. • X-ray photoelectron spectroscopy (XPS) and X-ray emission spectroscopy (XES) methods. • Optical and photoelectrical properties were investigated.

Peculiarities of the intermediate valence state of Ce in CeM2Si2 (M = Fe, Co, Ni) compounds

International Nuclear Information System (INIS)

Koterlyn, M.; Shcherba, I.; Yasnitskii, R.; Koterlyn, G.

2007-01-01

The results of thermoelectric power and the electrical resistivity measurements connected with the intermediate valence (IV) of Ce are presented for the compounds CeM 2 Si 2 (M = Fe, Co, Ni) in the temperature range of 4-800 K. It is shown that CeM 2 Si 2 are Kondo-lattices with the coherence scale T coh ∼ 60-80 K and the so-called single-site Kondo temperature T K ∼ 10 3 K. On the example of CeNi 2 Si 2 we have studied the changes in the structure of density of f states (f-DOS) near the Fermi energy caused by atomic substitutions. The results of structural, transport, magnetic, and Ce L III X-ray absorption spectra measurements in the series Ce 1-x La x Ni 2 Si 2 (0 ≤ x ≤ 0.6), Ce(Ni 1-y Cu y ) 2 Si 2 (0 ≤ y ≤ 0.6) and CeNi 2 (Si 1-z Ge z ) 2 (0 ≤ z ≤ 0.5) are presented. We found that the IV state of Ce in the CeM 2 Si 2 is an evidence of possible opening a wide pseudogap Δ ∼ kT K within the f-DOS structure slightly above the Fermi energy

Quasiparticle scattering image in hidden order phases and chiral superconductors

Energy Technology Data Exchange (ETDEWEB)

Thalmeier, Peter [Max Planck Institute for Chemical Physics of Solids, 01187 Dresden (Germany); Akbari, Alireza, E-mail: alireza@apctp.org [Asia Pacific Center for Theoretical Physics, Pohang, Gyeongbuk 790-784 (Korea, Republic of); Department of Physics, and Max Planck POSTECH Center for Complex Phase Materials, POSTECH, Pohang 790-784 (Korea, Republic of)

2016-02-15

The technique of Bogoliubov quasiparticle interference (QPI) has been successfully used to investigate the symmetry of unconventional superconducting gaps, also in heavy fermion compounds. It was demonstrated that QPI can distinguish between the d-wave singlet candidates in CeCoIn{sub 5}. In URu{sub 2}Si{sub 2} presumably a chiral d-wave singlet superconducting (SC) state exists inside a multipolar hidden order (HO) phase. We show that hidden order leaves an imprint on the symmetry of QPI pattern that may be used to determine the essential question whether HO in URu{sub 2}Si{sub 2} breaks the in-plane rotational symmetry or not. We also demonstrate that the chiral d-wave SC gap leads to a crossover to a quasi-2D QPI spectrum below T{sub c} which sharpens the HO features. Furthermore we investigate the QPI image of chiral p-wave multigap superconductor Sr{sub 2}RuO{sub 4}. - Highlights: • The chiral multigap structure of Sr{sub 2}RuO{sub 4} leads to rotation of QPI spectrum with bias voltage. • 5f band reconstruction in hidden order phase of URu{sub 2}Si{sub 2} is obtained from two orbital model. • The chiral superconductivity in URu{sub 2}Si{sub 2} leads to quasi-2D quasiparticle interference (QPI).

161Dy Moessbauer spectroscopy of the intermetallic compounds DyNi2Si2, DyNi2Ge2 and DyAg2Si2

International Nuclear Information System (INIS)

Onodera, Hideya; Murata, Akifumi; Koizuka, Masaaki; Ohashi, Masayoshi; Yamaguchi, Yasuo

1994-01-01

161 Dy Moessbauer spectroscopic study has been performed on DyNi 2 Si 2 , DyNi 2 Ge 2 and DyAg 2 Si 2 in order to clarify microscopic properties of antiferromagnets with incommensurate and sinusoidally moment-modulated structure. The experiments were done using the standard 161 Tb Moessbauer sources prepared by neutron irradiation at the Japan Material Testing Reactor. The Moessbauer spectra of DyNi 2 Si 2 are analyzed satisfactorily by a single set of hyperfine parameters, and hence the sinusoidal moment-modulation is considered to be realized through a distribution of spin relaxation rate. The broadened spectra of DyNi 2 Ge 2 are fitted tentatively by three subspectra. It seems for DyNi 2 Ge 2 that the incommensurate arrangement of Dy moments differed in magnitude as well as the distribution of spin relaxation rate originates the moment modulation. The fact that the spectrum of DyAg 2 Si 2 at 3 K consists of two distinct subspectra ensures the complicated antiferromagnetic structure where two kinds of Dy moments differed in magnitude are arranged noncollinearly. (author)

Synthesis, Crystal and Electronic Structure of the Quaternary Magnetic EuTAl4Si2 (T = Rh and Ir) Compounds

Energy Technology Data Exchange (ETDEWEB)

Maurya, Arvind [Tata Institute of Fundamental Research; Thamizhavel, Arumugam [Tata Institute of Fundamental Research; Provino, Alessia [University of Genova; Pani, Marcella [University of Genova; Manfrinetti, Pietro [University of Genova; Paudyal, Durga [Ames Laboratory; Dhar, Sudesh Kumar [Tata Institute of Fundamental Research

2014-01-22

Single crystals of the quaternary europium compounds EuRhAl4Si2 and EuIrAl4Si2 were synthesized by using the Al–Si binary eutectic as a flux. The structure of the two quaternary compounds has been refined by single crystal X-ray diffraction. Both compounds are stoichiometric and adopt an ordered derivative of the ternary KCu4S3 structure type (tetragonal tP8, P4/mmm). The two compounds reported here represent the first example of a quaternary and truly stoichiometric 1:1:4:2 phase crystallizing with this structure type. In light of our present results, the structure of the BaMg4Si3 compound given in literature as representing a new prototype is actually isotypic with the KCu4S3 structure. Local spin density approximation including the Hubbard U parameter (LSDA + U) calculations show that Eu ions are in the divalent state, with a significant hybridization between the Eu 5d, Rh (Ir) 4d (5d), Si 3p and Al 3p states. Magnetic susceptibility measured along the [001] direction confirms the divalent nature of the Eu ions in EuRhAl4Si2 and EuIrAl4Si2, which order magnetically near 11 and 15 K, respectively.

Actinide-carbon bonds: insertion reactions of carbon monoxide, tert-butyl isocyanide, and tert-butyl cyanide into [(Me3Si)2N]2MCH2Si(Me)2NSiMe3

International Nuclear Information System (INIS)

Simpson, S.J.; Andersen, R.A.

1981-01-01

The thorium or uranium metallacycles [(Me 2 Si) 2 N] 2 MCH 2 Si(Me) 2 NSiMe 3 (I) react with tert-butyl cyanide to give the six-membered ring compounds [(Me 3 Si) 2 N] 2 MN = C(t-Bu)CH 2 Si(Me) 2 NSiMe 3 . The metallacycles (I) also react with the isoelectronic molecules tert-butyl isocyanide and carbon monoxide to give the unique five-membered ring compounds with exocyclic carbon-carbon double bonds, [(Me 3 Si) 2 N] 2 MXC(=CH 2 )Si(Me) 2 NSiMe 3 , where X is t-BuN or oxygen. The four-membered ring metallacycles (I) give simple coordination complexes of the type [(Me 3 Si) 2 N] 2 MCH 2 Si-(Me) 2 NSiMe 3 (N 3 SiMe 3 ) with trimethylsilyl azide

Neutron scattering study on R{sub 2}PdSi{sub 3} (R=Ho,Er,Tm) compounds

Energy Technology Data Exchange (ETDEWEB)

Tang, Fei

2010-12-14

Previous studies on the family of inter-metallic rare-earth compounds R{sub 2}PdSi{sub 3} revealed multifaceted magnetic properties, for instance, spin-glass like behavior. Experimental observations include: Signs of a crystallographic superstructure, complicated magnetic structures both in zero field and in applied magnetic fields as well as a generic phase in applied fields for compounds in the series with the heavy rare-earths R=Gd, Tb, Dy, Ho, Er and Tm. This thesis expands the studies on the magnetic properties of R{sub 2}PdSi{sub 3} employing mainly neutron scattering on single crystals with the focus on the compounds with R=Ho, Er and Tm. A detailed analysis of the crystallographic superstructure using modulation wave approach and group theory is presented. The resulting structure implies the existence of two different rare-earth sites with reduced symmetry and an arrangement of the different sites according to sequences as determined by the superstructure. It is shown that the reduced symmetry of the rare-earth sites is explicitly observed in the energy spectra of inelastic neutron scattering. The results on the magnetic structures and excitations are shown and discussed in the framework of the superstructure model. Specifically the generic phase in applied fields is interpreted as a direct consequence of the crystallographic superstructure. It is rather unusual that a crystallographic superstructure is playing such a decisive, and through the field dependence also tunable role in determining the magnetic properties as observed in R{sub 2}PdSi{sub 3}. The mediating interactions between the crystallographic part and the magnetic part of the system are discussed. (orig.)

Magnetic behaviour of a new compound, Eu{sub 2}CuSi{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Majumdar, Subham; Mallik, R; Sampathkumaran, E V [Tata Institute of Fundamental Research, Mumbai (India)

1999-07-01

As a part of our program to synthesize new ternary Eu compounds, we report here the formation of Eu{sub 2}CuSi{sub 3} for the first time and its magnetic behaviour by magnetic susceptibility, electrical-resistivity and heat-capacity measurements. This compound is found to crystallize in an AlB{sub 2}-derived hexagonal structure. The results establish that Eu ions are divalent, undergoing long-range ferromagnetic-ordering below 38 K. (author)

Synthesis, structure and chemical bonding of CaFe{sub 2−x}Rh{sub x}Si{sub 2} (x=0, 1.32, and 2) and SrCo{sub 2}Si{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Hlukhyy, Viktor, E-mail: viktor.hlukhyy@lrz.tu-muenchen.de; Hoffmann, Andrea V.; Fässler, Thomas F.

2013-07-15

The finding of superconductivity in Ba{sub 0.6}K{sub 0.4}Fe{sub 2}As{sub 2} put the attention on the investigation of compounds that crystallize with ThCr{sub 2}Si{sub 2} structure type such as AT{sub 2}X{sub 2} (A=alkali/alkaline earth/rare earth element; T=transition metal and X=element of the 13–15th group). In this context the silicides CaFe{sub 2}Si{sub 2}, CaFe{sub 0.68(6)}Rh{sub 1.32(6)}Si{sub 2}, CaRh{sub 2}Si{sub 2} and SrCo{sub 2}Si{sub 2} have been synthesized by reaction of the elements under an argon atmosphere. Single crystals were obtained by special heat treatment in welded niobium/tantalum ampoules. The compounds were investigated by means of powder and single crystal X-ray diffraction. All compounds crystallize in the ThCr{sub 2}Si{sub 2}-type structure with space group I4/mmm (No. 139): a=3.939(1) Å, c=10.185(1) Å, R{sub 1}=0.045, 85 F{sup 2} values, 8 variable parameters for CaFe{sub 2}Si{sub 2}; a=4.0590(2) Å, c=9.9390(8) Å, R{sub 1}=0.030, 90 F{sup 2} values, 10 variable parameters for CaFe{sub 0.68(6)}Rh{sub 1.32(6)}Si{sub 2}; a=4.0695(1) Å, c=9.9841(3) Å, R{sub 1}=0.031, 114 F{sup 2} values, 9 variable parameters for CaRh{sub 2}Si{sub 2}; and a=3.974(1) Å, c=10.395(1) Å, R{sub 1}=0.036, 95 F{sup 2} values, 8 variable parameters for SrCo{sub 2}Si{sub 2}. The structure of SrCo{sub 2}Si{sub 2} contains isolated [Co{sub 2}Si{sub 2}]{sup 2−} 2D-layers in the ab-plane whereas in CaFe{sub 2−x}Rh{sub x}Si{sub 2} the [T{sub 2}Si{sub 2}] layers (T=Fe and Rh) are interconnected along the c-axis via Si3Si bonds resulting in a three-dimentional (3D) [T{sub 2}Si{sub 2}]{sup 2−} polyanions and therefore belong to the so-called collapsed form of the ThCr{sub 2}Si{sub 2}-type structure. The SrCo{sub 2}Si{sub 2} and CaRh{sub 2}Si{sub 2} are isoelectronic to the parent 122 iron–pnictide superconductors AeFe{sub 2}As{sub 2} (Ae=alkaline earth elements), whereas CaFe{sub 2}Si{sub 2} is a full substituted variant (As/Si) of CaFe{sub 2}As{sub 2

Phase control studies in Gd5Si2Ge2 giant magnetocaloric compound

International Nuclear Information System (INIS)

Belo, J.H.; Pereira, A.M.; Ventura, J.; Oliveira, G.N.P.; Araújo, J.P.; Tavares, P.B.; Fernandes, L.; Algarabel, P.A.; Magen, C.; Morellon, L.

2012-01-01

Highlights: ► Study of time dependence of O(I) to M phase. ► Determination of the optimal annealing time. ► New method for phase amount estimation (O(I) and M). ► Effect of annealing on the MCE. ► Analysis of the nature of the magnetic transition through the Arrot plot representation. - Abstract: A systematic set of annealings on arc-melted synthesized Gd 5 Si 2 Ge 2 sample was performed. Through powder X-ray diffraction (XRD) and magnetometry measurements we monitored the effect of varying the annealing time with constant temperature (T = 1473 K) on the formation of the monoclinic (M) crystallographic phase fraction, which is the one responsible for the giant magnetocaloric effect (GMCE) in this compound. The conversion of the orthorhombic O(I) crystallographic phase into M was achieved, resulting in a significant increase of the M mass fraction. Such conversion led to a change in the magnetic transition nature, evolving from a second to a first order transition for the as-cast and annealed samples, respectively. An optimal annealing time range for the M phase conversion was identified to be within 80–120 min at T = 1473 K followed by a rapid quenching to liquid N 2 . Furthermore, an increase up to ∼50% of the magnetocaloric effect was obtained for the sample annealed during 120 min.

Crystal structure and anisotropic magnetic properties of new ferromagnetic Kondo lattice compound Ce(Cu,Al,Si){sub 2}

Energy Technology Data Exchange (ETDEWEB)

Maurya, A.; Thamizhavel, A.; Dhar, S.K. [Department of Condensed Matter Physics & Materials Science, Tata Institute of Fundamental Research, Homi Bhabha Road, Mumbai 400 005 (India); Provino, A.; Pani, M.; Costa, G.A. [Department of Chemistry, University of Genova, Via Dodecaneso 31, 16146 Genova (Italy); Institute SPIN-CNR, Corso Perrone 24, 16152 Genova (Italy)

2017-03-15

Single crystals of the new compound CeCu{sub 0.18}Al{sub 0.24}Si{sub 1.58} have been grown by high-temperature solution growth method using a eutectic Al-Si mixture as flux. This compound is derived from the binary CeSi{sub 2} (tetragonal α-ThSi{sub 2}-type, Pearson symbol tI12, space group I4{sub 1}/amd) obtained by partial substitution of Si by Cu and Al atoms but showing full occupation of the Si crystal site (8e). While CeSi{sub 2} is a well-known valence-fluctuating paramagnetic compound, the CeCu{sub 0.18}Al{sub 0.24}Si{sub 1.58} phase orders ferromagnetically at T{sub C}=9.3 K. At low temperatures the easy-axis of magnetization is along the a-axis, which re-orients itself along the c-axis above 30 K. The presence of hysteresis in the magnetization curve, negative temperature coefficient of resistivity at high temperatures, reduced jump in the heat capacity and a relatively lower entropy released up to the ordering temperature, and enhanced Sommerfeld coefficient (≈100 mJ/mol K{sup 2}) show that CeCu{sub 0.18}Al{sub 0.24}Si{sub 1.58} is a Kondo lattice ferromagnetic, moderate heavy fermion compound. Analysis of the high temperature heat capacity data in the paramagnetic region lets us infer that the crystal electric field split doublet levels are located at 178 and 357 K, respectively, and Kondo temperature (8.4 K) is of the order of T{sub C} in CeCu{sub 0.18}Al{sub 0.24}Si{sub 1.58}.

Redetermination of clinobarylite, BaBe2Si2O7

Directory of Open Access Journals (Sweden)

Adrien J. Di Domizio

2012-10-01

Full Text Available Clinobarylite, ideally BaBe2Si2O7 (chemical name barium diberyllium disilicate, is a sorosilicate mineral and dimorphic with barylite. It belongs to a group of compounds characterized by the general formula BaM2+2Si2O7, with M2+ = Be, Mg, Fe, Mn, Zn, Co, or Cu, among which the Be-, Fe-, and Cu-members have been found in nature. The crystal structure of clinobarylite has been re-examined in this study based on single-crystal X-ray diffraction data collected from a natural sample from the type locality (Khibiny Massif, Kola Peninsula, Russia. The structure of clinobarylite can be considered as a framework of BeO4 and SiO4 tetrahedra, with one of the O atoms coordinated to two Be and one Si, one coordinated to two Si, and two O atoms coordinated to one Si and one Be atom. The BeO4 tetrahedra share corners, forming chains parallel to the c axis, which are interlinked by the Si2O7 units oriented parallel to the a axis. The Ba2+ cations (site symmetry m.. are in the framework channels and are coordinated by eleven O atoms in form of an irregular polyhedron. The Si—Obr (bridging O atom, at site symmetry m.. bond length, the Si—Onbr (non-bridging O atoms bond lengths, and the Si—O—Si angle within the Si2O7 unit are in marked contrast to the corresponding values determined in the previous study [Krivovichev et al. (2004. N. Jb. Miner. Mh. pp. 373–384].

ACRT technique for the single crystal growth of the heavy fermion compound YbRh{sub 2}Si{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Witt, Sebastian; Kliemt, Kristin; Butzke, Constantin; Krellner, Cornelius [Goethe University Frankfurt, 60438 Frankfurt am Main (Germany)

2016-07-01

In the heavy fermion compound YbRh{sub 2}Si{sub 2} the antiferromagnetic ordering below 70 mK close to a quantum critical point is well-studied. Beneath the magnetic ordering a new phase transition was found recently at 2 mK. It is necessary to prepare large and high-quality single crystals for studying the nature of this new phase transition. Besides the optimization of the single crystal growth it is important to investigate single crystals with different isotopes at this phase transition. Here, we report the crystal growth of YbRh{sub 2}Si{sub 2} with the accelerated crucible rotation technique (ACRT). ACRT shows for other compounds, e.g. YAG (yttrium aluminum garnet, Y{sub 3}Al{sub 5}O{sub 12}), that this technique can reduce flux impurities and enhance the yield of larger crystals. We also report the attempt to receive metallic isotopes of ytterbium with metallothermic reduction. Crystals with different isotopes of silicon and ytterbium can be used for NMR measurements to investigate the underlying phenomena of quantum criticality in more detail.

Redetermination of clinobaryl-ite, BaBe(2)Si(2)O(7).

Science.gov (United States)

Domizio, Adrien J Di; Downs, Robert T; Yang, Hexiong

2012-10-01

Clinobaryl-ite, ideally BaBe(2)Si(2)O(7) (chemical name barium diberyllium disilicate), is a sorosilicate mineral and dimorphic with baryl-ite. It belongs to a group of compounds characterized by the general formula BaM(2+) (2)Si(2)O(7), with M(2+) = Be, Mg, Fe, Mn, Zn, Co, or Cu, among which the Be-, Fe-, and Cu-members have been found in nature. The crystal structure of clinobaryl-ite has been re-examined in this study based on single-crystal X-ray diffraction data collected from a natural sample from the type locality (Khibiny Massif, Kola Peninsula, Russia). The structure of clinobaryl-ite can be considered as a framework of BeO(4) and SiO(4) tetra-hedra, with one of the O atoms coordinated to two Be and one Si, one coordinated to two Si, and two O atoms coordinated to one Si and one Be atom. The BeO(4) tetra-hedra share corners, forming chains parallel to the c axis, which are inter-linked by the Si(2)O(7) units oriented parallel to the a axis. The Ba(2+) cations (site symmetry m..) are in the framework channels and are coordinated by eleven O atoms in form of an irregular polyhedron. The Si-O(br) (bridging O atom, at site symmetry m..) bond length, the Si-O(nbr) (non-bridging O atoms) bond lengths, and the Si-O-Si angle within the Si(2)O(7) unit are in marked contrast to the corresponding values determined in the previous study [Krivovichev et al. (2004 ▶). N. Jb. Miner. Mh. pp. 373-384].

X-ray spectra, chemical bonding, and electron structure of ScM2Si2 (M = Fe, Co, Ni)

International Nuclear Information System (INIS)

Shcherba, I.D.; Kotur, B.Ya.

1990-01-01

In a study of the interaction of the components in the ternary systems Sc-M-Si (where M is a 3d transition metal) it was established that there are compounds of the empirical formula ScM 2 Si 2 (M = Fe, Co, Ni). They crystallize in two structural types, HfFe 2 Si 2 (the compound ScFe 2 Si 2 ) and CeGa 2 Al 2 (ScCo 2 Si 2 and ScNi 2 Si 2 ) (ref. 1), leading to different coordination environment of the atoms in the structures of the compounds. With the aim of investigating the electron structure and the type ofin these compounds, they authors made a systematic x-ray spectral investigation with simultaneous analysis of the crystal structures of ScM 2 Si 2

Photocatalytic degradation of mixed gaseous carbonyl compounds at low level on adsorptive TiO2/SiO2 photocatalyst using a fluidized bed reactor.

Science.gov (United States)

Zhang, Maolin; An, Taicheng; Fu, Jiamo; Sheng, Guoying; Wang, Xinming; Hu, Xiaohong; Ding, Xuejun

2006-06-01

An adsorptive silica-supported titania photocatalyst TiO(2)/SiO(2) was prepared by using nanosized titania (anatase) immobilized on silica gel by the sol-gel technique with the titanium tetra isopropoxide as the main raw material and acetic acid as the acid catalyst. Meanwhile the structure and properties of the TiO(2)/SiO(2) photocatalyst were studied by means of many modern analysis techniques such as TEM, XRD, and BET. Gas-solid heterogeneous photocatalytic decomposition of four carbonyl compounds mixture at low concentration levels over ultraviolet irradiated TiO(2)/SiO(2) photocatalyst were carried out with high degradation efficiencies in a coaxial triple-cylinder-type fluidized bed photocatalytic reactor, which provided efficient continuous contact of ultraviolet photons, silica-supported titania photocatalyst, and gaseous reactants. Experimental results showed that the photocatalyst had a high adsorption performance and a good photocatalytic activity for four carbonyl compounds mixture. Some factors influencing the photocatalytic decomposition of the mixed carbonyl compounds, i.e. the gas flowrate, relative humidity, concentration of oxygen, and illumination time, were discussed in detail. It is found that the photocatalytic reaction rate of four carbonyl compounds decreased in this order: propionaldehyde, acetone, acetaldehyde and formaldehyde.

Magnetocaloric effect in the La0.8Ce0.2Fe11.4-xCoxSi1.6 compounds

International Nuclear Information System (INIS)

Wang, G.F.; Song, L.; Li, F.A.; Ou, Z.Q.; Tegus, O.; Brueck, E.; Buschow, K.H.J.

2009-01-01

The effects of substitution of Co for Fe on the magnetic and magnetocaloric properties of La 0.8 Ce 0.2 Fe 11.4-x Co x Si 1.6 (0, 0.2, 0.4, 0.6, 0.8 and 1.0) compounds have been investigated. X-ray diffraction shows that all compounds crystallize in the NaZn 13 -type structure. Magnetic measurements show that the Curie temperature (T C ) can be tuned between 184 and 294 K by changing the Co content from 0 to 1. A field-induced methamagnetic transition occurs in samples with x=0, 0.2 and 0.4. The magnetic entropy changes of the compounds have been determined from the isothermal magnetization measurements by using the Maxwell relation.

Structural and magnetic properties of Gd1-xPrxMn2Si2 silicides

International Nuclear Information System (INIS)

Kilic, A.; Kervan, S.; Gencer, A.

2004-01-01

X-ray powder diffraction, AC susceptibility and differential scanning calorimetry (DSC) studies were performed on the polycrystalline Gd 1-x Pr x Mn 2 Si 2 (0≤x≤1) compounds. All compounds investigated crystallize in the body-centred tetragonal ThCr 2 Si 2 -type structure with the space group I4/mmm. Substitution of Pr for Gd leads to a linear increase of the lattice constants and the unit cell volume. The lattice constants and the unit cell volume obey Vegard's law. At the Curie temperature T C (Gd), the Gd sublattice orders and reconfigures the ordering in the Mn sublattice. This temperature becomes depressed and disappears with increasing Pr content x. The Neel temperature T N (Mn) determined by DSC technique decreases linearly with increasing Pr content x. The results are summarized in the x-T magnetic phase diagram

The Tl{sub 2}S–PbS–SiS{sub 2} system and the crystal and electronic structure of quaternary chalcogenide Tl{sub 2}PbSiS{sub 4}

Energy Technology Data Exchange (ETDEWEB)

Mozolyuk, M.Y.; Piskach, L.V. [Department of Inorganic and Physical Chemistry, Lesya Ukrainka Eastern European National University, 13 Voli Avenue, 43025, Lutsk (Ukraine); Fedorchuk, A.O. [Department of Inorganic and Organic Chemistry, Lviv National University of Veterinary Medicine and Biotechnologies, 50 Pekarska Street, 79010, Lviv (Ukraine); Olekseyuk, I.D.; Parasyuk, O.V. [Department of Inorganic and Physical Chemistry, Lesya Ukrainka Eastern European National University, 13 Voli Avenue, 43025, Lutsk (Ukraine); Khyzhun, O.Y., E-mail: khyzhun@ipms.kiev.ua [Frantsevych Institute for Problems of Materials Science, National Academy of Sciences of Ukraine, 3 Krzhyzhanivsky Street, 03142, Kyiv (Ukraine)

2017-07-01

Chalcogenides of the quasi-ternary system Tl{sub 2}S–PbS–SiS{sub 2} were synthesized in the evacuated silica ampoules by the melting and annealing technique. Phase equilibria in the system was investigated by XRD method. Isothermal section of the system was studied, and two intermediate quaternary phases were discovered to exist (Tl{sub 2}PbSiS{sub 4}, ∼Tl{sub 2}PbSi{sub 3}S{sub 8}). The quasi-binary section Tl{sub 2}SiS{sub 3}–PbS was investigated by DTA. Its phase diagram was constructed, and it was established that the equimolar compound melts incongruently at 818 K. The crystal structure of the quaternary compound Tl{sub 2}PbSiS{sub 4} was determined by X-ray powder diffraction. It crystallizes in the monoclinic space group P2{sub 1}/a with the unit-cell parameters a = 8.8141(4), b = 9.0150(5), c = 10.4383(5) Å, and β = 94.490(4)° (Tl{sub 2}PbGeS{sub 4} structure type). Reliability factors calculated in the isotropic approximation were found to be R{sub I} = 0.0564 and R{sub P} = 0.1070. The Tl{sub 2}PbSiS{sub 4} single crystal was tested with X-ray photoelectron spectroscopy. In particular, the XPS core-level and valence-band spectra were recorded for pristine and Ar{sup +}-ion bombarded surfaces of Tl{sub 2}PbSiS{sub 4}. The Tl{sub 2}PbSiS{sub 4} single crystal was found to be rather stable with respect to Ar{sup +}-ion irradiation. We have also measured the X-ray emission band depicting the energy distribution of mainly the S 3p states and compared it on a common energy scale with the XPS valence-band spectrum of the Tl{sub 2}PbSiS{sub 4} crystal. The above comparison indicates that the S 3p states contribute substantively in the upper portion of the valence band of Tl{sub 2}PbSiS{sub 4}, with their significant contributions in other portions of the valence-band region. - Highlights: • Chalcogenides of the quasi-ternary system Tl{sub 2}S–PbS–SiS{sub 2} were synthesized. • Two intermediate quaternary phases were discovered to exist (Tl

Mass Enhancement of Nearly Trivalent Compound EuCo2Si2: Studied by the de Haas-van Alphen Experiments and Energy Band Calculations

International Nuclear Information System (INIS)

Ōnuki, Yoshichika; Hedo, Masato; Nakama, Takao; Nakamura, Ai; Aoki, Dai; Boukahil, Mounir; Haga, Yoshinori; Takeuchi, Tetsuya; Harima, Hisatomo

2015-01-01

We succeeded in growing single crystals of EuCo 2 Si 2 by the Bridgman method, and carried out the de Haas-van Alphen (dHvA) experiments. EuCo 2 Si 2 was previously studied from a viewpoint of the trivalent electronic state on the basis of the magnetic susceptibility and X-ray absorption experiments, whereas most of the other Eu compounds order magnetically, with the divalent electronic state. The detected dHvA branches in the present experiments are found to be explained by the results of the full potential linearized augmented plane wave energy band calculations on the basis of a local density approximation (LDA) for YCo 2 Si 2 (LDA) and EuCo 2 Si 2 (LDA + U), revealing the trivalent electronic state. The detected cyclotron effective masses are moderately large, ranging from 1.2 to 2.9 m 0

Analysis of hydrogen, carbon, sulfur and volatile compounds in (U3Si2 - Al) nuclear fuel

International Nuclear Information System (INIS)

Moura, Sergio C.; Redigolo, Marcelo M.; Amaral, Priscila O.; Leao, Claudio; Oliveira, Glaucia A.C. de; Bustillos, Oscar V.

2015-01-01

Uranium silicide U 3 Si 2 is used as nuclear fuel in the research nuclear reactor IEA-R1 at IPEN/CNEN, Sao Paulo, Brazil. The U 3 Si 2 is dispersed in aluminum reaching high densities of uranium in the nucleus of the fuel, up to 4.8 gU cm -3 . This nuclear fuel must comply with a quality control, which includes analysis of hydrogen, carbon and sulfur for the U 3 Si 2 and volatile compound for the aluminum. Hydrogen, carbon and sulfur are analyzed by the method of Radio Frequency gas extraction combustion coupled with Infrared detector. Volatile compounds are analyzed by the method of heated gas extraction coupled with gravimetric measurement. These methods are recommended by the American Society for Testing Materials (ASTM) for nuclear materials. The average carbon and sulfur measurements are 30 μg g -1 and 3 μg g -1 , respectively, and 40 μg g -1 for volatile compounds. The hydrogen analyzer is a TCHEN 600 LECO, carbon and sulfur analyzer is a CS 244 LECO and the volatile compounds analyzer is a home-made apparatus that use a resistant furnace, a gas pipe measurement and a glove-box with controlled atmosphere where an analytical balance has been installed, this analyzer was made at IPEN laboratory. (author)

Effects of Ga substitution on the structural and magnetic properties of half metallic Fe{sub 2}MnSi Heusler compound

Energy Technology Data Exchange (ETDEWEB)

Pedro, S. S., E-mail: sandrapedro@uerj.br; Caraballo Vivas, R. J.; Andrade, V. M.; Cruz, C.; Paixão, L. S.; Contreras, C.; Costa-Soares, T.; Rocco, D. L.; Reis, M. S. [Instituto de Física, Universidade Federal Fluminense, Niterói-RJ (Brazil); Caldeira, L. [IF Sudeste MG, Campus Juiz de Fora - Núcleo de Física, Juiz de Fora-MG (Brazil); Coelho, A. A. [Instituto de Física Gleb Wataghin, Universidade Estadual de Campinas - Unicamp, Campinas-SP (Brazil); Carvalho, A. Magnus G. [Laboratório Nacional de Luz Sincrotron, CNPEM, Campinas-SP (Brazil)

2015-01-07

The so-called half-metallic magnets have been proposed as good candidates for spintronic applications due to the feature of exhibiting a hundred percent spin polarization at the Fermi level. Such materials follow the Slater-Pauling rule, which relates the magnetic moment with the valence electrons in the system. In this paper, we study the bulk polycrystalline half-metallic Fe{sub 2}MnSi Heusler compound replacing Si by Ga to determine how the Ga addition changes the magnetic, the structural, and the half-metal properties of this compound. The material does not follow the Slater-Pauling rule, probably due to a minor structural disorder degree in the system, but a linear dependence on the magnetic transition temperature with the valence electron number points to the half-metallic behavior of this compound.

Crystal growth of the intermetallic compound Nd{sub 2}PdSi{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Xu, Y. [IFW Dresden, Leibniz-Institut fuer Festkoerper- und Werkstoffforschung, Helmholtzstr. 20, 01171 Dresden (Germany); State Key Laboratory of Solidification Processing, Northwestern Polytechnical University, Xi' an, Shaanxi 710072 (China); Loeser, W.; Blum, C.G.F.; Buechner, B. [IFW Dresden, Leibniz-Institut fuer Festkoerper- und Werkstoffforschung, Helmholtzstr. 20, 01171 Dresden (Germany); Tang, F. [Institut fuer Festkoerperphysik, Technische Universitaet Dresden, 01062 Dresden (Germany); Liu, L. [State Key Laboratory of Solidification Processing, Northwestern Polytechnical University, Xi' an, Shaanxi 710072 (China)

2011-02-15

Nd{sub 2}PdSi{sub 3} single crystals were grown by a vertical floating zone method with radiation heating at a zone traveling rate of 3 mm/h. The compound exhibits congruent melting behavior at a liquidus temperature of about 1790 C. The actual crystal composition (35.3 {+-} 0.5) at.% Nd, (16.2 {+-} 0.5) at.% Pd, and (48.5 {+-} 0.5) at.% Si is slightly depleted in Pd and Si with respect to the nominal stoichiometry. Therefore, the gradual accumulation of these elements in the traveling zone led to a decrease of the operating temperature during the growth process. Single crystalline samples exhibit a large anisotropy due to the crystal electric field effect and order ferromagnetically below the Curie temperature T{sub C}=15.1 K. The [001] orientation was identified as the magnetic easy axis at low temperatures. (copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Pd/Nb2O5/SiO2 catalyst for the direct hydrodeoxygenation of biomass-related compounds to liquid alkanes under mild conditions.

Science.gov (United States)

Shao, Yi; Xia, Qineng; Liu, Xiaohui; Lu, Guanzhong; Wang, Yanqin

2015-05-22

A simple Pd-loaded Nb2 O5 /SiO2 catalyst was prepared for the hydrodeoxygenation of biomass-related compounds to alkanes under mild conditions. Niobium oxide dispersed in silica (Nb2 O5 /SiO2 ) as the support was prepared by the sol-gel method and characterized by various techniques, including N2 adsorption, XRD, NH3 temperature-programmed desorption (TPD), TEM, and energy-dispersive X-ray spectroscopy (EDAX) atomic mapping. The characterization results showed that the niobium oxide species were amorphous and well dispersed in silica. Compared to commercial Nb2 O5 , Nb2 O5 /SiO2 has significantly more active niobium oxide species exposed on the surface. Under mild conditions (170 °C, 2.5 MPa), Pd/10 %Nb2 O5 /SiO2 was effective for the hydrodeoxygenation reactions of 4-(2-furyl)-3-buten-2-one (aldol adduct of furfural with acetone), palmitic acid, tristearin, and diphenyl ether (model compounds of microalgae oils, vegetable oils, and lignin), which gave high yields (>94 %) of alkanes with little CC bond cleavage. More importantly, owing to the significant promotion effect of NbOx species on CO bond cleavage and the mild reaction conditions, the CC cleavage was considerably restrained, and the catalyst showed an excellent activity and stability for the hydrodeoxygenation of palmitic acid with almost no decrease in hexadecane yield (94-95 %) in a 150 h time-on-stream test. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Ce2Co3Ge5: a new U2Co3Si5 - type valance fluctuating compound

International Nuclear Information System (INIS)

Layek, Samar; Hossain, Zakir

2010-01-01

Poly crystalline sample of Ce 2 Co 3 Ge 5 have been prepared by arc melting and consequently annealing at 1100 deg C. Rietveld refinement of XRD shows that it crystallize in the orthorhombic U 2 Co 3 Si 5 structure (space group Ibam) with crystal parameters a= 9.802A, b= 11.777A and c= 5.941A and unit cell volume V= 684.8 A 3 The unit cell volume of Ce 2 Co 3 Ge 5 is seen clearly to deviate from that expected on the basis of lanthanide contraction. From susceptibility measurement, effective magnetic moment of this compound μ eff = 0.95 μ B which is lower than magnetic moment free for Ce 3+ ions (2.54 μB) but higher than that of non-magnetic Ce 4+ state (0 μ B ). All these results clearly indicated Ce 2 Co 3 Ge 5 to be a mixed valance compound. (author)

Optimal determination of the elastic constants of woven 2D SiC/SiC composite materials

International Nuclear Information System (INIS)

Mouchtachi, A; Guerjouma, R El; Baboux, J C; Rouby, D; Bouami, D

2004-01-01

For homogeneous materials, the ultrasonic immersion method, associated with a numerical optimization process mostly based on Newton's algorithm, allows the determination of elastic constants for various synthetic and natural composite materials. Nevertheless, a principal limitation of the existing optimization procedure occurs when the considered material is at the limit of the homogeneous hypothesis. Such is the case of the woven bidirectional SiC matrix and SiC fibre composite material. In this study, we have developed two numerical methods for the determination of the elastic constants of the 2D SiC/SiC composite material (2D SiC/SiC). The first one is based on Newton's algorithm: the elastic constants are obtained by minimizing the square deviation between experimental and calculated velocities. The second method is based on the Levenberg-Marquardt algorithm. We show that these algorithms give the same results in the case of homogeneous anisotropic composite materials. For the 2D SiC/SiC composite material, the two methods, using the same measured velocities, give different sets of elastic constants. We then note that the Levenberg-Marquardt algorithm enables a better convergence towards a global set of elastic constants in good agreement with the elastic properties, which can be measured using classical quasi-static methods

Crystal field excitations of YbMn{sub 2}Si{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Mole, R.A. [Australian Nuclear Science and Technology Organisation, Lucas Heights, NSW 2234 (Australia); School of Physical, Environmental and Mathematical Sciences, The University of New South Wales at the Australian Defence Force Academy, Canberra, ACT 2600 (Australia); Hofmann, M. [School of Physical, Environmental and Mathematical Sciences, The University of New South Wales at the Australian Defence Force Academy, Canberra, ACT 2600 (Australia); Forschungsneutronenquelle Heinz Maier-Leibnitz (FRM II), Technische Universität München, 85747 Garching (Germany); Adroja, D.T. [ISIS Facility, Science and Technology Facilities Council, Rutherford Appleton Laboratory, Didcot, OX11 OQX (United Kingdom); Moze, O. [Dipartimento di Fisica, Università degli Studi di Modena e Reggio Emilia, Modena (Italy); Campbell, S.J., E-mail: stewart.campbell@adfa.edu.au [School of Physical, Environmental and Mathematical Sciences, The University of New South Wales at the Australian Defence Force Academy, Canberra, ACT 2600 (Australia)

2013-12-15

The crystal field excitations of the rare earth intermetallic compound YbMn{sub 2}Si{sub 2} have been measured by inelastic neutron scattering over the temperature range 2.5–50 K. The YbMn{sub 2}Si{sub 2} spectra exhibit three low energy excitations (∼3–7 meV) in the antiferromagnetic AFil region above the magnetic phase transition at T{sub N2} = 30(5) K. The crystal field parameters have been determined for YbMn{sub 2}Si{sub 2} in the antiferromagnetic AFil region. A further two inelastic excitations (∼9 meV, 17 meV) are observed below T{sub N2}=30(5) K, the temperature at which the high temperature antiferromagnetic structure is reported to exhibit doubling of the magnetic cell. Energy level diagrams have been determined for Yb{sup 3+} ions in the different sites above (single site) and below the magnetic transition temperature (two sites). The excitation energies for both sites are shown to be temperature independent with the temperature dependences of the transition intensities for the two sites described well by a simple Boltzmann model. The spectra below T{sub N2} cannot be described fully in terms of molecular field models based on either a single Yb{sup 3+} site or two Yb{sup 3+} sites. This indicates that the magnetic behaviour of YbMn{sub 2}Si{sub 2} is more complicated than previously considered. The inability to account fully for excitations below the magnetic phase transition may be due to an, as yet, unresolved structural transition associated with the magnetic transition. - Highlights: • The inelastic neutron scattering from YbMn{sub 2}Si{sub 2} has been investigated over the temperature range 2.5–50 K. • The crystal field splitting has been monitored through the magnetic transition at 30(5) K. • We have determined the crystal field parameters for the antiferromagnetic AFil region. • The transition intensities are described well by Boltzmann occupancy models. • The spectra below the magnetic transition have been analysed by

Crystallization behavior of Li2O-SiO2, Na2O-SiO2 and Na2O-CaO-SiO2 glasses; Li2O-SiO2, Na2O-SiO2, Na2O-CaO-SiO2 kei glass no kessho sekishutsu kyodo

Energy Technology Data Exchange (ETDEWEB)

Tsutsumi, K.; Otake, J.; Nagasaka, T.; Hino, M. [Tohoku University, Sendai (Japan)

1998-06-01

It has been known that crystallization of mold powder is effective on the disturbance of heat transfer between mold and solidified shell in production of middle carbon steel slabs in continuous casting process. But it has not yet been made clear which composition of mold powder is the most suitable for crystallization. The crystallization behavior of Li2O-SiO2, Na2O-SiO2 and Na2O-CaO-SiO2 glasses was observed by differential thermal analysis (DTA) and hot-thermocouple methods with DTA in the present work. As a result, addition of alkaline metal and alkaline earth metal oxides to SiO2 increased the critical cooling rate for glass formation in binary system of Li2O-SiO2 and Na2O-SiO2 and Li2O-SiO2 system crystallized easier than Na2O-SiO2 system. In ternary system of Na2O-CaO-SiO2, addition of Na2O hurried the critical cooling rate at CaO/SiO2=0.93 mass ratio, but the rate was almost constant in the composition range of more than 15 mass% Na2O. The slag of CaO/SiO2=0.93 made the rate faster than the slag of CaO/SiO2=0.47 at constant content of 10mass% Na2O. 17 refs., 10 figs., 3 tabs.

Relativistic quasiparticle band structures of Mg2Si, Mg2Ge, and Mg2Sn: Consistent parameterization and prediction of Seebeck coefficients

Science.gov (United States)

Shi, Guangsha; Kioupakis, Emmanouil

2018-02-01

We apply density functional and many-body perturbation theory calculations to consistently determine and parameterize the relativistic quasiparticle band structures of Mg2Si, Mg2Ge, and Mg2Sn, and predict the Seebeck coefficient as a function of doping and temperature. The quasiparticle band gaps, including spin-orbit coupling effects, are determined to be 0.728 eV, 0.555 eV, and 0.142 eV for Mg2Si, Mg2Ge, and Mg2Sn, respectively. The inclusion of the semicore electrons of Mg, Ge, and Sn in the valence is found to be important for the accurate determination of the band gaps of Mg2Ge and Mg2Sn. We also developed a Luttinger-Kohn Hamiltonian and determined a set of band parameters to model the near-edge relativistic quasiparticle band structure consistently for all three compounds that can be applied for thermoelectric device simulations. Our calculated values for the Seebeck coefficient of all three compounds are in good agreement with the available experimental data for a broad range of temperatures and carrier concentrations. Our results indicate that quasiparticle corrections are necessary for the accurate determination of Seebeck coefficients at high temperatures at which bipolar transport becomes important.

Redetermination of clinobaryl­ite, BaBe2Si2O7

Science.gov (United States)

Domizio, Adrien J. Di; Downs, Robert T.; Yang, Hexiong

2012-01-01

Clinobaryl­ite, ideally BaBe2Si2O7 (chemical name barium diberyllium disilicate), is a sorosilicate mineral and dimorphic with baryl­ite. It belongs to a group of compounds characterized by the general formula BaM 2+ 2Si2O7, with M 2+ = Be, Mg, Fe, Mn, Zn, Co, or Cu, among which the Be-, Fe-, and Cu-members have been found in nature. The crystal structure of clinobaryl­ite has been re-examined in this study based on single-crystal X-ray diffraction data collected from a natural sample from the type locality (Khibiny Massif, Kola Peninsula, Russia). The structure of clinobaryl­ite can be considered as a framework of BeO4 and SiO4 tetra­hedra, with one of the O atoms coordinated to two Be and one Si, one coordinated to two Si, and two O atoms coordinated to one Si and one Be atom. The BeO4 tetra­hedra share corners, forming chains parallel to the c axis, which are inter­linked by the Si2O7 units oriented parallel to the a axis. The Ba2+ cations (site symmetry m..) are in the framework channels and are coordinated by eleven O atoms in form of an irregular polyhedron. The Si—Obr (bridging O atom, at site symmetry m..) bond length, the Si—Onbr (non-bridging O atoms) bond lengths, and the Si—O—Si angle within the Si2O7 unit are in marked contrast to the corresponding values determined in the previous study [Krivovichev et al. (2004 ▶). N. Jb. Miner. Mh. pp. 373–384]. PMID:23125568

Coloring problem and magnetocaloric effect of Gd{sub 3}Co{sub 2.2}Si{sub 1.8}

Energy Technology Data Exchange (ETDEWEB)

Yao, Jinlei, E-mail: materyao@gmail.com [Research Center for Solid State Physics and Materials, School of Mathematics and Physics, Suzhou University of Science and Technology, Suzhou 215009 (China); Department of Chemistry and Chemical Biology, McMaster University, 1280 Main Street West, Hamilton, Ontario, Canada L8S 4M1 (Canada); Morozkin, A.V. [Department of Chemistry, Moscow State University, Leninskie Gory, House 1, Building 3, GSP-2, Moscow 119992 (Russian Federation); Mozharivskyj, Yurij [Department of Chemistry and Chemical Biology, McMaster University, 1280 Main Street West, Hamilton, Ontario, Canada L8S 4M1 (Canada)

2013-02-15

Highlights: Black-Right-Pointing-Pointer Gd{sub 3}Co{sub 2.2}Si{sub 1.8} adopts the Er{sub 3}Ge{sub 4} structure (space group Cmcm). Black-Right-Pointing-Pointer Si and Co show site preference. Black-Right-Pointing-Pointer The electronic factors determine the site occupation of Si and Co. Black-Right-Pointing-Pointer Gd{sub 3}Co{sub 2.2}Si{sub 1.8} order ferromagnetically below 172 K. - Abstract: The Gd{sub 3}Co{sub 2.2}Si{sub 1.8} compound was synthesized by arc melting the constituent elements and subsequent annealing at 1070 K for 120 h. It adopts the Dy{sub 3}Co{sub 2.2}Si{sub 1.8}-type structure with the space group Cmcm and the unit cell parameters of a = 4.1176(7) A, b = 10.305(2) A, c = 12.778(2) A and V = 542.2(2) A{sup 3}. The Co and Si atoms preferentially occupy the 8f and 4a/4c sites, respectively. The atomic electronegativity and electron density at a given site determine its site occupation, according to the analysis of the electronic structure. Gd{sub 3}Co{sub 2.2}Si{sub 1.8} orders ferromagnetically with the Curie temperature of 172 K. The isothermal magnetic entropy change, -{Delta}S{sub m}, reaches the maximum value of 7.09 J/kg K at 170 K for a field change of 0-50 kOe.

Mercury contamination level and speciation inventory in Lakes Titicaca & Uru-Uru (Bolivia): Current status and future trends.

Science.gov (United States)

Guédron, S; Point, D; Acha, D; Bouchet, S; Baya, P A; Tessier, E; Monperrus, M; Molina, C I; Groleau, A; Chauvaud, L; Thebault, J; Amice, E; Alanoca, L; Duwig, C; Uzu, G; Lazzaro, X; Bertrand, A; Bertrand, S; Barbraud, C; Delord, K; Gibon, F M; Ibanez, C; Flores, M; Fernandez Saavedra, P; Ezpinoza, M E; Heredia, C; Rocha, F; Zepita, C; Amouroux, D

2017-12-01

Aquatic ecosystems of the Bolivian Altiplano (∼3800 m a.s.l.) are characterized by extreme hydro-climatic constrains (e.g., high UV-radiations and low oxygen) and are under the pressure of increasing anthropogenic activities, unregulated mining, agricultural and urban development. We report here a complete inventory of mercury (Hg) levels and speciation in the water column, atmosphere, sediment and key sentinel organisms (i.e., plankton, fish and birds) of two endorheic Lakes of the same watershed differing with respect to their size, eutrophication and contamination levels. Total Hg (THg) and monomethylmercury (MMHg) concentrations in filtered water and sediment of Lake Titicaca are in the lowest range of reported levels in other large lakes worldwide. Downstream, Hg levels are 3-10 times higher in the shallow eutrophic Lake Uru-Uru than in Lake Titicaca due to high Hg inputs from the surrounding mining region. High percentages of MMHg were found in the filtered and unfiltered water rising up from <1 to ∼50% THg from the oligo/hetero-trophic Lake Titicaca to the eutrophic Lake Uru-Uru. Such high %MMHg is explained by a high in situ MMHg production in relation to the sulfate rich substrate, the low oxygen levels of the water column, and the stabilization of MMHg due to abundant ligands present in these alkaline waters. Differences in MMHg concentrations in water and sediments compartments between Lake Titicaca and Uru-Uru were found to mirror the offset in MMHg levels that also exist in their respective food webs. This suggests that in situ MMHg baseline production is likely the main factor controlling MMHg levels in fish species consumed by the local population. Finally, the increase of anthropogenic pressure in Lake Titicaca may probably enhance eutrophication processes which favor MMHg production and thus accumulation in water and biota. Copyright © 2017 Elsevier Ltd. All rights reserved.

Infrared Spectra and Structures of SiH{sub 2}-(CH{sub 2}){sub 2} and CH{sub 2}=CH-SiH{sub 3} Intermediates Prepared in Reactions of Laser-ablated Silicon Atoms with Ethane

Energy Technology Data Exchange (ETDEWEB)

Cho, Han-Gook [Incheon National University, Incheon (Korea, Republic of); Andrews, Lester [University of Virginia, Charlottesville (United States)

2016-03-15

SiH{sub 2}-(CH{sub 2}){sub 2} and CH{sub 2}=CH-SiH{sub 3} were observed in the matrix IR spectra following reactions of laser-ablated Si atoms with ethane on the basis of correlation with computed frequencies. Evidently photon energy is required for the formation of the cyclic Si compound. These Si complexes are similar to the primary products in the previous studies of group 4 metals, in line with the previous results that s{sup 2}p{sup 2} and s{sup 2}d{sup 2} electronic configurations yield similar products. The relatively long C–C bond in the cyclic Si product reflects the structural strain, and the short C-Si and C-C bonds of CH{sub 3}CH=SiH{sub 2} and CH{sub 2}=CH-SiH{sub 3} show that they are true double bonds in line with the natural bond orders. Reactions of transition-metal atoms with small alkanes and halomethanes have been studied in a series of recent investigations. High oxidation-state products (methylidenes and methylidynes) along with insertion complexes were identified in the matrix spectra. It is interesting whether or not Si, a group 14 metalloid, undergoes similar reactions with larger hydrocarbons to provide higher oxidation-state compounds.

N-Heterocyclic Carbene Coinage Metal Complexes of the Germanium-Rich Metalloid Clusters [Ge9R3]− and [Ge9RI2]2− with R = Si(iPr3 and RI = Si(TMS3

Directory of Open Access Journals (Sweden)

Felix S. Geitner

2017-07-01

Full Text Available We report on the synthesis of novel coinage metal NHC (N-heterocyclic carbene compounds of the germanium-rich metalloid clusters [Ge9R3]− and [Ge9RI2]2− with R = Si(iPr3 and RI = Si(TMS3. NHCDippCu{η3Ge9R3} with R = Si(iPr3 (1 represents a less bulky silyl group-substituted derivative of the known analogous compounds with R = Si(iBu3 or Si(TMS3. The coordination of the [NHCDippCu]+ moiety to the cluster unit occurs via one triangular face of the tri-capped trigonal prismatic [Ge9] cluster. Furthermore, a series of novel Zintl cluster coinage metal NHC compounds of the type (NHCM2{η3Ge9RI2} (RI = Si(TMS3 M = Cu, Ag and Au; NHC = NHCDipp or NHCMes is presented. These novel compounds represent a new class of neutral dinuclear Zintl cluster coinage metal NHC compounds, which are obtained either by the stepwise reaction of a suspension of K12Ge17 with Si(TMS3Cl and the coinage metal carbene complexes NHCMCl (M = Cu, Ag, Au, or via a homogenous reaction using the preformed bis-silylated cluster K2[Ge9(Si(TMS32] and the corresponding NHCMCl (M = Cu, Ag, Au complex. The molecular structures of NHCDippCu{η3Ge9(Si(iPr33} (1 and (NHCDippCu2{η3-Ge9(Si(TMS32} (2 were determined by single crystal X-ray diffraction methods. In 2, the coordination of the [NHCDippCu]+ moieties to the cluster unit takes place via both open triangular faces of the [Ge9] entity. Furthermore, all compounds were characterized by means of NMR spectroscopy (1H, 13C, 29Si and ESI-MS.

Thermal expansion and magnetostriction in Pr(n+2)(n+1)Nin(n-1)+2Sin(n+1) compounds

International Nuclear Information System (INIS)

Jiles, D.C.; Song, S.H.; Snyder, J.E.; Pecharsky, V.K.; Lograsso, T.A.; Wu, D.; Pecharsky, A.O.; Mudryk, Ya.; Dennis, K.W.; McCallum, R.W.

2006-01-01

Thermal expansion and magnetostriction of members of a homologous series of compounds based on the alloy series Pr (n+2)(n+1) Ni n(n-1)+2 Si n(n+1) have been measured. The crystal structures of these compounds are closely interrelated because they form trigonal prismatic columns in which the number of trigonal prisms that form the base of the trigonal columns is determined by the value of n in the chemical formula. Two compositions were investigated, Pr 5 Ni 2 Si 3 and Pr 15 Ni 7 Si 10 , corresponding to n=3 and n=4, respectively. The results were analyzed and used to determine the location of magnetic phase transitions by calculating the magnetic contribution to thermal expansion using the Gruneisen-Debye theory. This allowed more precise determination of the magnetic transition temperatures than could be achieved using the total thermal expansion. The results show two phase transitions in each material, one corresponding to the Curie temperature and the other at a lower temperature exhibiting characteristics of a spin reorientation transition

Investigation of SiO{sub 2}:Na{sub 2}O ratio as a corrosion inhibitor for metal alloys

Energy Technology Data Exchange (ETDEWEB)

Mohamad, N.; Othman, N. K. [School of Applied Physics, Faculty of Science and Technology, Universiti Kebangsaan Malaysia, 43600 UKM Bangi, Selangor Darul Ehsan (Malaysia); Jalar, A. [Institute of Micro Engineering and Nanoelectronics (IMEN), Universiti Kebangsaan Malaysia, 43600 UKM Bangi, Selangor Darul Ehsan (Malaysia)

2013-11-27

The silicate is one of the potential compounds used as a corrosion inhibitor for metal alloys. The mixture between silica and sodium hydroxide (NaOH) succeeded to produce the silicate product. The formulation of a silicate product normally variable depended by the different ratio of SiO{sub 2}:Na{sub 2}O. This research utilized the agriculture waste product of paddy using its rice husk. In this study, the amorphous silica content in rice husk ash was used after rice husk burnt in a muffle furnace at a certain temperature. The X-ray diffraction (XRD) analysis was done to determine the existence of amorphous phase of silica in the rice husk ash. There are several studies that recognized rice husk as an alternative source that obtained high silica content. The X-ray fluorescence (XRF) analysis was carried out to clarify the percentage amount of Si and O elements, which referred the silica compound in rice husk ash. The preparation of sodium silicate formulation were differ based on the SiO{sub 2}:Na{sub 2}O ratio (SiO{sub 2}:Na{sub 2}O ratio = 1.00, 2.00 and 3.00). These silicate based corrosion inhibitors were tested on several testing samples, which were copper (99.9%), aluminum alloy (AA 6061) and carbon steel (SAE 1045). The purpose of this study is to determine the appropriate SiO{sub 2}:Na{sub 2}O ratio and understand how this SiO{sub 2}:Na{sub 2}O ratio can affect the corrosion rate of each metal alloys immersed in acidic medium. In order to investigate this study, weight loss test was conducted in 0.5 M hydrochloric acid (HCl) for 24 hours at room temperature.

New silicate-germanate Cs2Pb2[(Si0.6Ge0.4)2O7] from the series A2Pb2[B2O7], A = K, Cs, B = Si, Ge with the umbrella-like [PbO3]4- group

Science.gov (United States)

Belokoneva, Elena L.; Morozov, Ivan A.; Volkov, Anatoly S.; Dimitrova, Olga V.; Stefanovich, Sergey Yu.

2018-04-01

New silicate-germanate Cs2Pb2[(Si0.6Ge0.4)2O7] was synthesized in multi-components hydrothermal solution with 20 w.% concentration of Cs2CO3 mineralizer, pH = 10. Novel mixed compound belongs to the structure type A2Pb2[B2O7] previously indicated for powders with A = K, B=Si or Ge. Singe crystal structure determination of Cs2Pb2[(Si0.6Ge0.4)2O7] revealed the need for the correction of the space group of the earlier suggested structural model from P-3 to P-3m1, as well as for the splitting of the Pb-atom position. Umbrella-like groups [PbO3]4- are located between [(Si,Ge)O4]4- tetrahedra in mica-like honeycomb layers and play the role of tetrahedra with the Pb-lone-pair as the forth apex. Crystal chemical comparison revealed similarities and differences with the classical structure type of α-celsian Ba[Al2Si2O8] with the tetrahedral double layer. Recently investigated nonlinear optical acentric borates Pb2(BO3)(NO3) and Pb2(BO3)Cl are both related to this structural type, possessing umbrella-like groups [PbO3]4- and honeycomb layers [Pb2(BO3)]+ with the BO3-triangles on the tetrahedral positions.

Extraordinary superconductor with nearly trivalent cerium, CeCu2Si2

International Nuclear Information System (INIS)

Ishikawa, M.; Jaccard, D.; Jorda, J.-L.

1982-01-01

Concentrating on the ternary phase diagram, the authors have performed a complementary investigation on CeCu 2 Si 2 and confirm that the compound containing nearly trivalent cerium ions is a new type of superconductor with Tsub(c) around 0.5 K. The analyses of the upper critical field curve support the description of the compound by heavy fermion quasiparticles. Other particular features of this compound are also presented. (Auth.)

Thermal expansion of lanthanum silicate oxyapatite (La9.33+2x(SiO4)6O2+3x), lanthanum oxyorthosilicate (La2SiO5) and lanthanum sorosilicate (La2Si2O7)

International Nuclear Information System (INIS)

Fukuda, Koichiro; Asaka, Toru; Uchida, Tomohiro

2012-01-01

Four types of powder specimens of La 9.33 (SiO 4 ) 6 O 2 (space group P6 3 /m and Z=1), La 9.33+2x (SiO 4 ) 6 O 2+3x with 0.06≤x≤0.13 (P6 3 /m and Z=1), La 2 SiO 5 (P2 1 /c and Z=4) and La 2 Si 2 O 7 (P2 1 /c and Z=4) were examined by high-temperature X-ray powder diffractometry to determine the changes in unit-cell dimensions up to 1473 K. The anisotropy of thermal expansion was demonstrated for the former two crystals to clarify the thermal behaviors of the highly c-axis-oriented polycrystals. With La 9.33 (SiO 4 ) 6 O 2 , the linear expansion coefficient of the a-axis (α a ) was 4.8×10 −6 K −1 and that of the c-axis (α c ) was 1.8×10 −6 K −1 in the temperature range from 298 to 1473 K. The α a - and α c -values of La 9.33+2x (SiO 4 ) 6 O 2+3x (0.06≤x≤0.13) were, respectively, 5.9×10 −6 K −1 and 2.3×10 −6 K −1 . The coefficients of mean linear thermal expansion were 4.9×10 −6 K −1 for La 2 SiO 5 and 6.0×10 −6 K −1 for La 2 Si 2 O 7 , which describe the thermal expansion behaviors of the randomly grain-oriented polycrystalline materials. - Graphical abstarct: Temperature dependence of the coefficients of thermal expansion (CTE). The linear CTE along the a-axes for La 9.33 (SiO 4 ) 6 O 2 and La 9.33+2x (SiO 4 ) 6 O 2+3x with 0.06≤x≤0.13. The mean linear CTE for La 2 SiO 5 and La 2 Si 2 O 7 . Highlights: ► We examined the thermal expansion of La 9.33+2x (SiO 4 ) 6 O 2+3x (x=0 and 0.06≤x≤0.13), La 2 SiO 5 and La 2 Si 2 O 7 ► Unit-cell dimensions were determined up to 1473 K by high-temperature X-ray diffraction ► Anisotropic expansion was clarified for La 9.33+2x (SiO 4 ) 6 O 2+3x (x=0 and 0.06≤x≤0.13) ► Mean linear thermal expansion was determined for La 2 SiO 5 and La 2 Si 2 O 7.

Recent advances in the 5f-relevant electronic states and unconventional superconductivity of actinide compounds

International Nuclear Information System (INIS)

Haga, Yoshinori; Sakai, Hironori; Kambe, Shinsaku

2007-01-01

Recent advances in the understanding of the 5f-relevant electronic states and unconventional superconducting properties are reviewed in actinide compounds of UPd 2 Al 3 . UPt 3 , URu 2 Si 2 , UGe 2 , and PuRhGa 5 . These are based on the experimental results carried out on high-quality single crystal samples, including transuranium compounds, which were grown by using combined techniques. The paring state and the gap structure of these superconductors are discussed, especially for the corresponding Fermi surfaces which were clarified by the de Haas-van Alphen experiment and the energy band calculations. A detailed systematic study using the NQR/NMR spectroscopy reveals the d-wave superconductivity in PuRhGa 5 and the difference of magnetic excitations due to the difference of ground states in U-, Np-, and Pu-based AnTGa 5 (T: transition metal) compounds. (author)

Lithium ion mobility in lithium phosphidosilicates: Crystal structure, {sup 7}Li, {sup 29}Si, and {sup 31}P MAS NMR spectroscopy, and impedance spectroscopy of Li{sub 8}SiP{sub 4} and Li{sub 2}SiP{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Toffoletti, Lorenzo; Landesfeind, Johannes; Klein, Wilhelm; Gasteiger, Hubert A.; Faessler, Thomas F. [Department of Chemistry, Technische Universitaet Muenchen, Lichtenbergstrasse 4, 85747, Garching bei Muenchen (Germany); Kirchhain, Holger; Wuellen, Leo van [Department of Physics, University of Augsburg, Universitaetsstrasse 1, 86159, Augsburg (Germany)

2016-12-05

The need to improve electrodes and Li-ion conducting materials for rechargeable all-solid-state batteries has drawn enhanced attention to the investigation of lithium-rich compounds. The study of the ternary system Li-Si-P revealed a series of new compounds, two of which, Li{sub 8}SiP{sub 4} and Li{sub 2}SiP{sub 2}, are presented. Both phases represent members of a new family of Li ion conductors that display Li ion conductivity in the range from 1.15(7) x 10{sup -6} Scm{sup -1} at 0 C to 1.2(2) x 10{sup -4} Scm{sup -1} at 75 C (Li{sub 8}SiP{sub 4}) and from 6.1(7) x 10{sup -8} Scm{sup -1} at 0 C to 6(1) x 10{sup -6} Scm{sup -1} at 75 C (Li{sub 2}SiP{sub 2}), as determined by impedance measurements. Temperature-dependent solid-state {sup 7}Li NMR spectroscopy revealed low activation energies of about 36 kJ mol{sup -1} for Li{sub 8}SiP{sub 4} and about 47 kJ mol{sup -1} for Li{sub 2}SiP{sub 2}. Both compounds were structurally characterized by X-ray diffraction analysis (single crystal and powder methods) and by {sup 7}Li, {sup 29}Si, and {sup 31}P MAS NMR spectroscopy. Both phases consist of tetrahedral SiP{sub 4} anions and Li counterions. Li{sub 8}SiP{sub 4} contains isolated SiP{sub 4} units surrounded by Li atoms, while Li{sub 2}SiP{sub 2} comprises a three-dimensional network based on corner-sharing SiP{sub 4} tetrahedra, with the Li ions located in cavities and channels. (copyright 2016 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

Magnetic and transport properties of the (Tb{sub 1-} {sub x} Y {sub x} )Mn{sub 2}Si{sub 2} and TbMn{sub 2}(Si{sub 1-} {sub y} Ge {sub y} ){sub 2} systems

Energy Technology Data Exchange (ETDEWEB)

Granovsky, S.A. [Department of Physics, M.V. Lomonosov Moscow State University, Leninskie Gory GSP-2 119992 Moscow (Russian Federation) and TU Dresden, Institut fuer Festkoerperphysik, D-01062, Dresden (Germany)]. E-mail: ser@plms.phys.msu.ru; Gaidukova, I.Yu. [Department of Physics, M.V. Lomonosov Moscow State University, Leninskie Gory GSP-2 119992 Moscow (Russian Federation); Doerr, M. [TU Dresden, Institut fuer Festkoerperphysik, D-01062, Dresden (Germany); Loewenhaupt, M. [TU Dresden, Institut fuer Festkoerperphysik, D-01062, Dresden (Germany); Markosyan, A.S. [Department of Physics, M.V. Lomonosov Moscow State University, Leninskie Gory GSP-2 119992 Moscow (Russian Federation)

2005-04-15

Magnetic and transport characteristics of pseudo-ternary compounds (Tb{sub 1-} {sub x} Y {sub x} )Mn{sub 2}Si{sub 2} and TbMn{sub 2}(Si{sub 1-} {sub y} Ge {sub y} ){sub 2} have been studied. The role of the 4f-3d exchange and Mn-Mn distances in the formation of the magnetic structure of these compounds is discussed.

The structure modification of Si-SiO2 irradiated by Fe+ ion

International Nuclear Information System (INIS)

Jin Tao; Ma Zhongquan; Guo Qi

1992-01-01

The effect of the iron ion implantation on the oxide surface and SiO 2 -Si interface of MOS structure was studied by X-ray photo-electron spectroscopy (XPS), and the chemical states of compounds formed were examined. The results obtained show that in the surface layers of SiO 2 the pure Si micro-regions are formed under the implantation and the interface layers of SiO 2 the pure Si micro-regions are formed under the implantation and the interface thickness is almost doubled that leads to failure of MOS capacitors. The physical and chemical mechanisms of MOS structure change by Fe + ion implantation are also discussed and analyzed

AC susceptibility, XRD and DSC studies of Sm1-xGdxMn2Si2 silicides

International Nuclear Information System (INIS)

Kervan, S.; Kilic, A.; Gencer, A.

2004-01-01

X-ray powder diffraction, AC susceptibility and differential scanning calorimetry (DSC) studies were performed on the polycrystalline Sm 1-x Gd x Mn 2 Si 2 (0≤x≤1) compounds. All compounds investigated crystallize in the body-centered tetragonal ThCr 2 Si 2 -type structure with the space group I4/mmm. Substitution of Gd for Sm leads to a linear decrease of the lattice constants and the unit cell volume. The lattice constants and the unit cell volume obey Vegard's law. At low temperatures, the rare earth sublattice orders and reconfigures the ordering in the Mn sublattice. The samples with x=0.6 and 0.8 exhibit spin reorientation phenomenon. The Neel temperature T N (Mn) determined by DSC technique and the Curie temperature T C (RE) increase linearly with increasing Gd content x. The results are summarized in the x-T magnetic phase diagram

Electronic and magnetic properties of magnetoelectric compound Ca2CoSi2O7: An ab initio study

Science.gov (United States)

Chakraborty, Jayita

2018-05-01

The detailed first principle density functional theory calculations are carried out to investigate the electronic and magnetic properties of magnetoelectric compound Ca2CoSi2O7. The magnetic properties of this system are analyzed by calculating various hopping integrals as well as exchange interactions and deriving the relevant spin Hamiltonian. The dominant exchange path is visualized with Wannier functions plotting. Only intra planer nearest neighbor exchange interaction is strong in this system. The magnetocrystalline anisotropy is calculated for this system, and the results of the calculation reveal that the spin quantization axis lies in the ab plane.

Exploring the Phase Diagram SiO2-CO2 at High Pressures and Temperatures

Science.gov (United States)

Kavner, A.

2015-12-01

CO2 is an important volatile system relevant for planetary sciences and fundamental chemistry. Molecular CO2 has doubly bonded O=C=O units but high pressure-high temperature (HP-HT) studies have recently shown its transformation into a three-dimensional network of corner-linked [CO4] units analogous to the silica mineral polymorphs, through intermediate non-molecular phases. Here, we report P-V-T data on CO2-IV ice from time-of-flight neutron diffraction experiments, which allow determining the compressibility and thermal expansivity of this intermediate molecular-to-non-molecular phase.1 Aditionally, we have explored the SiO2-CO2 phase diagram and the potential formation of silicon carbonate compounds. New data obtained by laser-heating diamond-anvil experiments in CO2-filled microporous silica polymorphs will be shown. In particular, these HP-HT experiments explore the existence of potential CO2/SiO2 compounds with tetrahedrally-coordinated C/Si atoms by oxygens, which are predicted to be stable (or metastable) by state-of-the-art ab initio simulations.2,3 These theoretical predictions were supported by a recent study that reports the formation of a cristobalite-type Si0.4C0.6O2 solid solution at high-pressures and temperatures, which can be retained as a metastable solid down to ambient conditions.4 Entirely new families of structures could exist based on [CO4]4- units in various degrees of polymerisation, giving rise to a range of chain, sheet and framework solids like those found in silicate chemistry. References[1] S. Palaich et al., Am. Mineral. Submitted (2015) [2] A. Morales-Garcia et al., Theor. Chem. Acc. 132, 1308 (2013) [3] R. Zhou et al., Phys. Rev. X, 4, 011030 (2014) [4] M. Santoro et al. Nature Commun. 5, 3761 (2014)

Thermodynamics of Bi2O3-SiO2 system

Directory of Open Access Journals (Sweden)

Onderka B.

2017-01-01

Full Text Available Thermodynamic properties of the liquid Bi2O3-SiO2 solutions were determined from the results of the electrochemical measurements by use of the solid oxide galvanic cells with YSZ (Yttria-Stabilized-Zirconia electrolyte. Activities of Bi2O3 in the solutions were determined for 0.2, 0.3, 0.4, and 0.5 SiO2 mole fractions in the temperature range 1073-1293 K from measured electromotive force (e.m.f of the solid electrolyte galvanic cell: Bi, Bi2O3-SiO2 | YSZ | air (pO2 = 0.213 bar Additionally, heat capacity data obtained for two solid phases 6Bi2O3•SiO2 and 2Bi2O3•3SiO2 were included into optimization of thermodynamic properties of the system. Optimization procedure was supported by differential thermal analysis (DTA data obtained in this work as well as those accepted from the literature. Using the data obtained in this work, and the information about phase equilibria found in the literature, binary system Bi2O3-SiO2 was assessed with the ThermoCalc software.

Single-crystal X-ray diffraction study of Cs2Er[Si6O14]F and Cs2Er[Si4O10]F

International Nuclear Information System (INIS)

Dabic, Predrag; Kremenovic, Aleksandar; Vulic, Predag; Kahlenberg, Volker; Schmidmair, Daniela

2016-01-01

Single-crystal growth experiments in the system CsF-Er 2 O 3 -SiO 2 resulted in the simultaneous crystallization of two chemically related compounds within the same run: Cs 2 Er[Si 6 O 14 ]F (phase I) and Cs 2 Er[Si 4 O 10 ]F (phase II). They represent the first examples for cesium erbium silicates containing fluorine. Basic crystallographic data are - phase I: space group Cmca, a=17.2556(6) Aa, b=24.6565(7) Aa, c=14.4735(5) Aa, V=6157.9(3) Aa 3 , Z=16; phase II: space group Pnma, a=22.3748(7) Aa, b=8.8390(2) Aa, c=11.9710(4) Aa, V=2367.5(1) Aa 3 , Z=8. The structures were determined by direct methods and refined to residuals of R(vertical stroke F vertical stroke)=0.0229 for 2920 (phase I) and 0.0231 for 2314 (phase II) independent observed reflections with I>2σ(I). The structure of phase I represents a previously unknown structure type with a three dimensional tetrahedral framework consisting of Q 3 and Q 4 groups in the ratio 2:1. Basic building units of the network are unbranched sechser single-chains running parallel to [001]. The network can be conveniently built up from the condensation of tetrahedral layers parallel to (010) or (100), respectively. The crystal structure of phase II can be classified as a tubular or columnar chain silicate indicating that the backbones of the structure are multiple chains of silicate tetrahedra. This structure is isotypic to a Cs 2 Y[Si 4 O 10 ]F, a compound that has been characterized previously. Alternatively, both compounds can be described as mixed octahedral-tetrahedral frameworks, which can be classified according to their polyhedral microensembles. A topological analysis of both nets is presented.

Phase equilibria in the Zr-Si-B ternary system (Zr-Si-ZrB{sub 2} region) at 1 173 K

Energy Technology Data Exchange (ETDEWEB)

Han, Feng; Luo, Hao [Guangxi Univ., Nanning (China). College of Materials Science and Engineering; Guangxi Univ., Nanning (China). Guangxi Key Lab. of Processing for Non-ferrous Metal and Featured Materials; Zhan, Yongzhong [Guangxi Univ., Nanning (China). College of Materials Science and Engineering; Guangxi Univ., Nanning (China). Guangxi Key Lab. of Processing for Non-ferrous Metal and Featured Materials; Guangxi Univ., Nanning (China). Center of Ecological Collaborative Innovation for Aluminum Industry

2017-10-15

The isothermal section of the Zr-Si-B ternary system (Zr-Si-ZrB{sub 2} region) at 1 173 K has been experimentally determined. All equilibrated alloys were characterized via X-ray powder diffraction and scanning electron microscopy equipped with energy-dispersive X-ray analysis. A ternary phase Zr{sub 5}(Si{sub 0.86}B{sub 0.14}){sub 3} was found at 1 173 K. The experimental results show that the isothermal section consists of 11 single-phase regions, 26 two-phase regions and 13 three-phase regions. The existence of eight compounds, i.e. ZrSi{sub 2}, ZrSi, Zr{sub 5}Si{sub 4}, Zr{sub 3}Si{sub 2}, Zr{sub 2}Si, ZrB, ZrB{sub 2} and Zr{sub 5}(Si{sub 0.86}B{sub 0.14}){sub 3} in this system has been confirmed in the Zr-Si-ZrB{sub 2} region at 1 173 K.

ThSi_2 type ytterbium disilicide and its analogues YbT_xSi_2_-_x (T = Cr, Fe, Co)

International Nuclear Information System (INIS)

Peter, Sebastian C.; Kanatzidis, Mercouri G.

2012-01-01

YbSi_2 and the derivatives YbT_xSi_2_-_x (T = Cr, Fe, Co) crystallizing in the α-ThSi_2 structure type were obtained as single crystals from reactions run in liquid indium. All silicides were investigated by single-crystal X-ray diffraction, I4_1/amd space group and the lattice constants are: a = 3.9868(6) Aa and c = 13.541(3) Aa for YbSi_2, a = 4.0123(6) Aa and c = 13.542(3) Aa for YbCr_0_._2_7Si_1_._7_3, a = 4.0142(6) Aa and c = 13.830(3) Aa for YbCr_0_._7_1Si_1_._2_9, a = 4.0080(6) Aa and c = 13.751(3) Aa for YbFe_0_._3_4Si_1_._6_6, and a = 4.0036(6) Aa, c = 13.707(3) Aa for YbCo_0_._2_1Si_1_._7_9. YbSi_2 and YbT_xSi_2_-_x compounds are polar intermetallics with three-dimensional Si and M (T+Si) polyanion sub-networks, respectively, filled with ytterbium atoms. The degree of substitution of transition metal at the silicon site is signficant and leads to changes in the average bond lengths and bond angles substantially. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

XPS and EELS characterization of Mn{sub 2}SiO{sub 4}, MnSiO{sub 3} and MnAl{sub 2}O{sub 4}

Energy Technology Data Exchange (ETDEWEB)

Grosvenor, A.P., E-mail: andrew.grosvenor@usask.ca [Department of Chemistry, University of Saskatchewan, Saskatoon, SK S7N 5C9 (Canada); Bellhouse, E.M., E-mail: erika.bellhouse@arcelormittal.com [Global R & D—Hamilton, ArcelorMittal Dofasco, 1330 Burlington St. E, Hamilton, ON L8N 3J5 (Canada); Korinek, A., E-mail: korinek@mcmaster.ca [Canadian Centre for Electron Microscopy, Brockhouse Institute for Materials Research, McMaster University, 1280 Main St. W., Hamilton, ON L8S 4M1 (Canada); Bugnet, M., E-mail: bugnetm@mcmaster.ca [Canadian Centre for Electron Microscopy, Brockhouse Institute for Materials Research, McMaster University, 1280 Main St. W., Hamilton, ON L8S 4M1 (Canada); McDermid, J.R., E-mail: mcdermid@mcmaster.ca [Steel Research Centre, McMaster University, 1280 Main St. W., Hamilton, ON L8S 4M1 (Canada)

2016-08-30

Graphical abstract: XPS and EELS spectra were acquired from Mn2Al2O4, MnSiO3 and Mn2SiO4 standards and unique features identified that will allow unambiguous identification of these compounds when studying the selective oxidation of advanced steels. - Highlights: • Mn2Al2O4, MnSiO3 and Mn2SiO4 standards were synthesized and characterized using both XPS and EELS. • Unique features in both the XPS high resolution and EELS spectra were identified for all compounds. • The spectra can be used to identify these compounds when studying the selective oxidation of steels. - Abstract: X-ray Photoelectron Spectroscopy (XPS) and Electron Energy Loss Spectroscopy (EELS) are strong candidate techniques for characterizing steel surfaces and substrate-coating interfaces when investigating the selective oxidation and reactive wetting of advanced high strength steels (AHSS) during the continuous galvanizing process. However, unambiguous identification of ternary oxides such as Mn{sub 2}SiO{sub 4}, MnSiO{sub 3}, and MnAl{sub 2}O{sub 4} by XPS or EELS, which can play a significant role in substrate reactive wetting, is difficult due to the lack of fully characterized standards in the literature. To resolve this issue, samples of Mn{sub 2}SiO{sub 4}, MnSiO{sub 3} and MnAl{sub 2}O{sub 4} were synthesized and characterized by XPS and EELS. The unique features of the XPS and EELS spectra for the Mn{sub 2}SiO{sub 4}, MnSiO{sub 3} and MnAl{sub 2}O{sub 4} standards were successfully derived, thereby allowing investigators to fully differentiate and identify these oxides at the surface and subsurface of Mn, Si and Al alloyed AHSS using these techniques.

Itinerant magnetism in doped semiconducting β-FeSi2 and CrSi2

Science.gov (United States)

Singh, David J.; Parker, David

2013-01-01

Novel or unusual magnetism is a subject of considerable interest, particularly in metals and degenerate semiconductors. In such materials the interplay of magnetism, transport and other Fermi liquid properties can lead to fascinating physical behavior. One example is in magnetic semiconductors, where spin polarized currents may be controlled and used. We report density functional calculations predicting magnetism in doped semiconducting β-FeSi2 and CrSi2 at relatively low doping levels particularly for n-type. In this case, there is a rapid cross-over to a half-metallic state as a function of doping level. The results are discussed in relation to the electronic structure and other properties of these compounds. PMID:24343332

Chlorobenzene, chloroform, and carbon tetrachloride adsorption on undoped and metal-doped sol-gel substrates (SiO{sub 2}, Ag/SiO{sub 2}, Cu/SiO{sub 2} and Fe/SiO{sub 2})

Energy Technology Data Exchange (ETDEWEB)

Hernandez, M.A. [Postgrado de Ciencias Ambientales and Departamento de Investigacion en Zeolitas, Instituto de Ciencias, Universidad Autonoma de Puebla, Edificio 76, Complejo de Ciencias, Ciudad Universitaria, CP 72570 Puebla (Mexico)], E-mail: mighern@siu.buap.mx; Gonzalez, A.I.; Corona, L.; Hernandez, F. [Postgrado de Ciencias Ambientales and Departamento de Investigacion en Zeolitas, Instituto de Ciencias, Universidad Autonoma de Puebla, Edificio 76, Complejo de Ciencias, Ciudad Universitaria, CP 72570 Puebla (Mexico); Rojas, F.; Asomoza, M.; Solis, S. [Departamento de Quimica, Universidad Autonoma Metropolitana-Iztapalapa, P.O. Box 55-534, D.F. Mexico (Mexico); Portillo, R.; Salgado, M.A. [Facultad de Ciencias Quimicas, Universidad Autonoma de Puebla (Mexico)

2009-02-15

Adsorption isotherms of chlorobenzene, chloroform and carbon tetrachloride vapors on undoped SiO{sub 2}, and metal-doped Ag/SiO{sub 2}, Cu/SiO{sub 2} and Fe/SiO{sub 2} substrates were measured in the temperature range of 398-593 K. These substrates were prepared from a typical sol-gel technique in the presence of metal dopants that rendered an assortment of microporous-mesoporous solids. The relevant characteristic of these materials was the different porosities and micropore to mesopore volume ratios that were displayed; this was due to the effect that the cationic metal valence exerts on the size of the sol-gel globules that compose the porous solid. The texture of these SiO{sub 2} materials was analyzed by X-ray diffraction (XRD), FTIR, and diverse adsorption methods. The pore-size distributions of the adsorbents confirmed the existence of mesopores and supermicropores, while ultramicropores were absent. The Freundlich adsorption model approximately fitted the chlorinated compounds adsorption data on the silica substrates by reason of a heterogeneous energy distribution of adsorption sites. The intensity of the interaction between these organic vapors and the surface of the SiO{sub 2} samples was analyzed through evaluation of the isosteric heat of adsorption and standard adsorption energy; from these last results it was evident that the presence of metal species within the silica structure greatly affected the values of both the amounts adsorbed as well as of the isosteric heats of adsorption.

Neutron diffraction study of the magnetic structures of CeMn2Ge2 and CeMn2Si2

International Nuclear Information System (INIS)

Fernandez-Baca, J.A.; Chakoumakos, B.C.; Hill, P.; Ali, N.

1995-01-01

The magnetic properties of the layered compounds of the form RMn 2 X 2 (R = Rare Earth, X = Si, Ge) have been thought to be sensitive to the intralayer Mn-Mn distance. Thus it has been reported that the Mn moments in CeMn 2 Si 2 are aligned antiferromagnetically (AF) below T N = 380K, while the Mn moments in CeMn 2 Ge 2 are ferromagnetic (FM) below T C = 316K. Recently, however, there has been some debate about the actual magnetic structures of this family of compounds, and for this reason the authors have performed high-resolution neutron powder diffraction measurements on these compounds for temperatures between 12K and 550K. The measurements indicate that at high temperatures both compounds are paramagnetic. Below T N = 380K CeMn 2 Si 2 becomes a collinear AF, with a structure similar to that reported by Siek et al. in which the magnetic propagation vector is τ = (0 0 1). CeMn 2 Ge 2 on the other hand, exhibits two different magnetic transitions. At T N ∼ 415K there is a transition to a collinear AF phase characterized by the commensurate propagation wavevector τ = (1 0 1). At T C = 318K there is a transition to a conical structure with a ferromagnetic component along the c-axis and a helical component in the ab plane. The helical component is characterized by the incommensurate propagation vector τ = (1 0 1-q z ), where q z is temperature dependent. These findings are consistent with the recent results of Welter et al

Enthalpies of formation of selected Co{sub 2}YZ Heusler compounds

Energy Technology Data Exchange (ETDEWEB)

Yin, Ming, E-mail: myin1@hawk.iit.edu; Chen, Song; Nash, Philip

2013-11-15

Highlights: •Enthalpies of formation of selected Co{sub 2}YZ were measured by drop calorimeters. •Enthalpy decreases as the Z element approaches the top right corner of the periodic table. •For the Y element, enthalpy increases on increasing the number of d electrons. •Result of L2{sub 1} structured compounds agrees with first principles data. •Lattice parameters and related phase relationships were consistent with literature data. -- Abstract: Standard enthalpies of formation at 298 K of selected ternary Co{sub 2}-based Heusler compounds Co{sub 2}YZ (Y = Fe, Hf, Mn, Ti, V, Zr; Z = Al, Ga, In, Si, Ge, Sn) were measured by high temperature direct synthesis calorimetry. The measured enthalpies of formation (in kJ/mole of atoms) of the L2{sub 1} compounds are: Co{sub 2}FeGa (−25.8 ± 2.6); Co{sub 2}FeSi (−38.4 ± 2.2); Co{sub 2}FeGe (−11.6 ± 2.1); Co{sub 2}MnGa (−30.1 ± 2.3); Co{sub 2}MnSi (−42.4 ± 1.2); Co{sub 2}MnGe (−31.6 ± 3.0); Co{sub 2}MnSn (−15.6 ± 2.8); Co{sub 2}TiAl (−55.0 ± 3.7); Co{sub 2}TiGa (−54.2 ± 2.6); Co{sub 2}TiSi (−61.4 ± 1.7); Co{sub 2}TiGe (−59.3 ± 3.8); Co{sub 2}TiSn (−38.4 ± 2.0); Co{sub 2}VGa (−28.4 ± 1.1) and for the B2 compounds: Co{sub 2}FeAl (−22.5 ± 2.5), Co{sub 2}MnAl (−27.6 ± 2.7). Values are compared with those from first principles calculation when available and the extended semi-empirical model of Miedema. Trends in enthalpy of formation with element atomic number are discussed. Lattice parameters of the compounds with L2{sub 1} structure are determined by X-ray diffraction analysis.

Exploration of R₂XM₂ (R=Sc, Y, Ti, Zr, Hf, rare earth; X=main group element; M=transition metal, Si, Ge): Structural Motifs, the novel Compound Gd₂AlGe₂ and Analysis of the U₃Si₂ and Zr₃Al₂ Structure Types

Energy Technology Data Exchange (ETDEWEB)

McWhorter, Sean William [Iowa State Univ., Ames, IA (United States)

2006-01-01

In the process of exploring and understanding the influence of crystal structure on the system of compounds with the composition Gd₅(Si_xGe_1-x)₄ several new compounds were synthesized with different crystal structures, but similar structural features. In Gd₅(Si_xGe_1-x)₄, the main feature of interest is the magnetocaloric effect (MCE), which allows the material to be useful in magnetic refrigeration applications. The MCE is based on the magnetic interactions of the Gd atoms in the crystal structure, which varies with x (the amount of Si in the compound). The crystal structure of Gd₅(Si_xGe_1-x)₄ can be thought of as being formed from two 3²434 nets of Gd atoms, with additional Gd atoms in the cubic voids and Si/Ge atoms in the trigonal prismatic voids. Attempts were made to substitute nonmagnetic atoms for magnetic Gd using In, Mg and Al. Gd₂MgGe₂ and Gd₂InGe₂ both possess the same 3²434 nets of Gd atoms as Gd₅(Si_xGe_1-x)₄, but these nets are connected differently, forming the Mo₂FeB₂ crystal structure. A search of the literature revealed that compounds with the composition R₂XM₂ (R=Sc, Y, Ti, Zr, Hf, rare earth; X=main group element; M=transition metal, Si, Ge) crystallize in one of four crystal structures: the Mo₂FeB₂, Zr₃Al₂, Mn₂AlB₂ and W₂CoB₂ crystal structures. These crystal structures are described, and the relationships between them are highlighted. Gd₂AlGe₂ forms an entirely new crystal structure, and the details of its synthesis and characterization are given. Electronic structure calculations are performed to understand the nature of bonding in this compound and how

Hybridization and magnetism in U(Ru, Rh)X, X=Al, Ga

NARCIS (Netherlands)

Sechovsky, V.; Havela, L.; Boer, de F.R.; Veenhuizen, P.A.; Sugiyama, K.; Kuroda, T.; Sugiura, T.; Ono, M.; Date, M.; Yamagishi, A.

1992-01-01

Results of magnetic studies of pseudoternary U(Ru, Rh)Al and U(Ru, Rh)Ga systems are presented. Reduction of the 5f-4d hybridization with increasing Rh content is reflected in a gradual transition from paramagnetic (spin fluctuation) behaviour of URuX to ferromagnetism in URhX. The huge uniaxial

Effect of TiO2 addition on reaction between SiC and Ni in SiC-Ni cermet spray coatings. Part 2. ; Development of SiC-based cermet spray coatings. SiC-Ni yosha himakuchu no SiC-Ni kaimen hanno ni oyobosu TiO2 tenka no koka. 2. ; SiC-ki sametto yosha himaku no kaihatsu

Energy Technology Data Exchange (ETDEWEB)

Nakamura, T [Kumano Technical College, Mie (Japan); Oki, S; Goda, S [Kinki Univ., Higashi-Osaka, Osaka (Japan). Faculty of Science and Technology

1992-09-30

The depression of the reaction between SiC and Ni, by adding TiO2 powder in spraying powder which has caused uniform dispersion in spray coating and reduction of TiO2 by the reaction during spraying, was studied. The mass ratio of the mixed components has been, SiC:Ni:TiO2=3:2:1. The spray coating was examined by electron prove microanalysis as well as X-ray diffractometry, centering mainly to the SiC-metal interface reaction. The formation of Ni-Si compounds have been depressed by the addition of TiO2 to spraying powder and by using plasma gas containing H2. Reason for this has been that the TiC formed in the SiC-Ni interface has depressed the reaction at the SiC-Ni interface. Further, TiO2 is reduced during spraying, and TiC is thought to be formed by the reaction between Ti and SiC or reaction between TiO2 and SiC. 8 refs., 6 figs., 1 tab.

Marker experiments in growth studies of Ni2Si, Pd2Si, and CrSi2 formed both by thermal annealing and by ion mixing

International Nuclear Information System (INIS)

Hung, L.S.; Mayer, J.W.; Pai, C.S.; Lau, S.S.

1985-01-01

Inert markers (evaporated tungsten and silver) were used in growth studies of silicides formed both by thermal annealing and by ion mixing in the Ni/Si, Pd/Si, and Cr/Si systems. The markers were initially imbedded inside silicides and backscattering spectrometry was used to determine the marker displacement after different processing conditions. The results obtained in thermal annealing are quite consistent with that found in previous investigations. Ni is the dominant diffusing species in Ni 2 Si, while Si is the diffusing species in CrSi 2 . In Pd 2 Si, both Pd and Si are moving species with Pd the faster of the two. In contrast, in growth of silicides by ion irradiation Si is the faster diffusing species in all three systems

Band alignment of atomic layer deposited SiO2 and HfSiO4 with (\\bar{2}01) β-Ga2O3

Science.gov (United States)

Carey, Patrick H., IV; Ren, Fan; Hays, David C.; Gila, Brent P.; Pearton, Stephen J.; Jang, Soohwan; Kuramata, Akito

2017-07-01

The valence band offset at both SiO2/β-Ga2O3 and HfSiO4/β-Ga2O3 heterointerfaces was measured using X-ray photoelectron spectroscopy. Both dielectrics were deposited by atomic layer deposition (ALD) onto single-crystal β-Ga2O3. The bandgaps of the materials were determined by reflection electron energy loss spectroscopy as 4.6 eV for Ga2O3, 8.7 eV for Al2O3 and 7.0 eV for HfSiO4. The valence band offset was determined to be 1.23 ± 0.20 eV (straddling gap, type I alignment) for ALD SiO2 on β-Ga2O3 and 0.02 ± 0.003 eV (also type I alignment) for HfSiO4. The respective conduction band offsets were 2.87 ± 0.70 eV for ALD SiO2 and 2.38 ± 0.50 eV for HfSiO4, respectively.

The effect of pH on the corrosion behavior of intermetallic compounds Ni{sub 3}(Si,Ti) and Ni{sub 3}(Si,Ti) + 2Mo in sodium chloride solutions

Energy Technology Data Exchange (ETDEWEB)

Priyotomo, Gadang, E-mail: gada001@lipi.go.id; Nuraini, Lutviasari, E-mail: Lutviasari@gmail.com [Research Center for Metallurgy and Material, Indonesian Institute of Sciences, Kawasan PUSPIPTEK Gd.474, Setu, Tangerang Selatan, Banten 15314 (Indonesia); Kaneno, Yasuyuki, E-mail: kaneno@mtr.osakafu-u.ac.id [Department of Materials Science, Graduate School of Engineering, Osaka Prefecture University, 1-1 Gakuen-cho, Sakai, Osaka 599-8531 (Japan)

2015-12-29

The corrosion behavior of the intermetallic compounds, Ni{sub 3}(Si,Ti) (L1{sub 2}: single phase) and Ni{sub 3}(Si,Ti) + 2Mo (L1{sub 2} and (L12 + Ni{sub ss}) mixture region), has been investigated using an immersion test, electrochemical method and surface analytical method (SEM; scanning electron microscope and EDAX: Energy Dispersive X-ray) in 0.5 kmol/m{sup 3} NaCl solutions at various pH. The corrosion behavior of nickel alloy C-276 was studied under the same experimental conditions as a reference. It was found that the uniform attack was observed on Ni{sub 3}(Si,Ti) for the immersion test at lower pH, while the pitting attack was observed on this compound for this test at neutral solution. Furthermore, Ni{sub 3}(Si,Ti)+2Mo had the preferential dissolution of L1{sub 2} compared to (L1{sub 2} + Ni{sub ss}) mixture region at lower pH, while pitting attack occurred in (L1{sub 2} + Ni{sub ss}) mixture region at neutral solution. For both intermetallic compounds, the magnitude of pitting and uniform attack decrease with increasing pH of solutions. From the immersion test and polarization curves, the corrosion resistance of Ni{sub 3}(Si,Ti)+2Mo is lower than that of Ni{sub 3}(Si,Ti), while the nickel alloy C-276 is the highest one at various pH of solutions. On the other hand, in the lower pH of solutions, the corrosion resistance of tested materials decreased significantly compared to those in neutral and higher pH of solutions.

SiGe layer thickness effect on the structural and optical properties of well-organized SiGe/SiO2 multilayers

Science.gov (United States)

Vieira, E. M. F.; Toudert, J.; Rolo, A. G.; Parisini, A.; Leitão, J. P.; Correia, M. R.; Franco, N.; Alves, E.; Chahboun, A.; Martín-Sánchez, J.; Serna, R.; Gomes, M. J. M.

2017-08-01

In this work, we report on the production of regular (SiGe/SiO2)20 multilayer structures by conventional RF-magnetron sputtering, at 350 °C. Transmission electron microscopy, scanning transmission electron microscopy, raman spectroscopy, and x-ray reflectometry measurements revealed that annealing at a temperature of 1000 °C leads to the formation of SiGe nanocrystals between SiO2 thin layers with good multilayer stability. Reducing the nominal SiGe layer thickness (t SiGe) from 3.5-2 nm results in a transition from continuous SiGe crystalline layer (t SiGe ˜ 3.5 nm) to layers consisting of isolated nanocrystals (t SiGe ˜ 2 nm). Namely, in the latter case, the presence of SiGe nanocrystals ˜3-8 nm in size, is observed. Spectroscopic ellipsometry was applied to determine the evolution of the onset in the effective optical absorption, as well as the dielectric function, in SiGe multilayers as a function of the SiGe thickness. A clear blue-shift in the optical absorption is observed for t SiGe ˜ 2 nm multilayer, as a consequence of the presence of isolated nanocrystals. Furthermore, the observed near infrared values of n = 2.8 and k = 1.5 are lower than those of bulk SiGe compounds, suggesting the presence of electronic confinement effects in the nanocrystals. The low temperature (70 K) photoluminescence measurements performed on annealed SiGe/SiO2 nanostructures show an emission band located between 0.7-0.9 eV associated with the development of interface states between the formed nanocrystals and surrounding amorphous matrix.

Determination of phosphorus distribution in the region of a SiO2-Si interface by substoichiometric analysis

International Nuclear Information System (INIS)

Shigematsu, T.; Yonezawa, H.

1994-01-01

A simplified method for the substoichiometric analysis of phosphorus has been developed and applied to determine the concentration distribution of phosphorus in the region of a SiO 2 -Si interface in order to explain why phosphorus is lost from the ion-implanted silicon surface throughout the oxidation and oxide removal processes. It is revealed that phosphorus piles up on the SiO 2 side at the interface by the thermal oxidation of silicon surface and is removed with the oxide by wet etching and with the resulting silicon by RCA cleaning. This results in a total loss of ion-implanted phosphorus of 3.5%. (author) 11 refs.; 2 figs.; 3 tabs

Development and application of graphite-SiO2/Al2O3/Nb2O5-methylene blue (GRP-SiAlNb-MB composite for electrochemical determination of dopamine

Directory of Open Access Journals (Sweden)

Juliana de Fátima Giarola

2017-03-01

Full Text Available In the present paper an amperometric sensor based on graphite-SiO2/Al2O3/Nb2O5-methylene blue (GRP-SiAlNb-MB composite has been successfully prepared for dopamine (DA determination in real samples. The electrochemical behavior of DA at the GRP-SiAlNb-MB has been evaluated by employing cyclic voltammetry. The best ratio (m/m of GRP-SiAlNb-MB composite was found to be 1:0.54. Under optimized conditions (pH 7.5 in 0.15 mol L−1 phosphate buffer the amperometry method responds linearly to DA from 5.0 up to 500.0 μmol L−1 (r = 0.995 with limits of detection and quantification of 1.49 and 4.97 μmol L−1, respectively. The developed method was successfully applied for DA determination in real samples of pharmaceutical formulations and can be used for routine quality control analysis of pharmaceutical formulations containing DA. The use of inorganic matrix SiAlNb was found to be very useful to adsorb MB in the composite material with further improvement of the anodic peak current of DA.

Photoluminescence of Er-doped Si-SiO2 and Al-Si-SiO2 sputtered thin films

International Nuclear Information System (INIS)

Rozo, C.; Fonseca, L.F.; Jaque, D.; Sole, J.Garcia

2008-01-01

Er-doped Si-SiO 2 and Al-Si-SiO 2 films have been deposited by rf-sputtering being annealed afterwards. Annealing behavior of the Er 3+ : 4 I 13/2 → 4 I 15/2 emission of Er-doped Si-SiO 2 yields a maximum intensity for annealing at 700-800 deg. C. 4 I 13/2 → 4 I 15/2 peak emission for Er-doped Al-Si-SiO 2 at 1525 nm is shifted from that for Er-doped Si-SiO 2 at 1530 nm and the bandwidth increases from 29 to 42 nm. 4 I 13/2 → 4 I 15/2 emission decays present a fast decaying component related to Er ions coupled to Si nanoparticles, defects, or other ions, and a slow decaying component related to isolated Er ions. Excitation wavelength dependence and excitation power dependence for the 4 I 13/2 → 4 I 15/2 emission correspond with energy transfer from Si nanoparticles. Populating of the 4 I 11/2 level in Er-doped Si-SiO 2 involves branching and energy transfer upconversion involving two or more Er ions. Addition of Al reduces the populating of this level to an energy transfer upconversion involving two ions

Effect of Si substitution on structural, electronic and optical properties of YNi{sub 4}Si-type DyNi{sub 5−x}Si{sub x} (x=0, 1, 2) compounds

Energy Technology Data Exchange (ETDEWEB)

Maurya, Dinesh Kumar; Saini, Sapan Mohan, E-mail: smsaini.phy@nitrr.ac.in

2016-10-15

We employed first principle calculations for investigation of structural, electronic and optical properties of YNi{sub 4}Si-type DyNi{sub 5−x}Si{sub x} (x=0, 1, 2) compounds. These properties are studied first time on YNi{sub 4}Si-type DyNi{sub 5−x}Si{sub x} compounds. The exchange and correlation potential is treated by the Coulomb corrected local spin density approximation (LSDA+U) method for better accounting of the correlation between the 4f electrons. The optimized lattice constants and internal cell parameters are in agreement with the available data. Self consistence band structure calculations show that Ni-3d states remains in valance band and dominant below the E{sub F}, while Dy-5d and 4f states mainly contributes above Fermi Energy (E{sub F}) in DyNi{sub 5−x}Si{sub x} (x=0, 1, 2) compounds. We also find that when silicon for nickel substitution takes place (DyNi{sub 4}Si), there is a gradual hybridization of Ni-3d and Si-3p states results, nickel moments decrease rapidly in agreement with the experiment. Optical spectra shows the main absorption peak around 4 eV depends on the substituent concentration and could be due to transition from hybridized band (Ni-3d and Si-3p), below E{sub F} to free Dy-4d states. Frequency-dependent refractive index, n(ω), and the extinction coefficient, k(ω), of DyNi{sub 5−x}Si{sub x} (x=0, 1, 2) are also calculated for the radiation up to 14 eV. - Highlights: • Calculated DOS revels that Ni-3d states are dominated below Fermi level (E{sub F}). • Spin down Dy-4f states show significant contribution to DOS above E{sub F.} • Nickel moments decrease rapidly with substitution of silicon for nickel (DyNi{sub 4}Si). • Most significant peak is found around 7eV in optical conductivity. • Nickel moments decrease rapidly with substitution of silicon for nickel (DyNi{sub 4}Si). • Peak indicates the possibility of transitions from Ni-3d states to empty spin down Dy-4f states.

First-principles study of mechanical, exchange interactions and the robustness in Co{sub 2}MnSi full Heusler compounds

Energy Technology Data Exchange (ETDEWEB)

Akriche, A., E-mail: akricheahmed@gmail.com [Laboratoire de Microscope Electronique et Sciences des Matériaux, Université d’Oran des Sciences et de la Technologie-USTO, Mohamed Boudiaf, Faculté de physique, Département de Génie Physique, Oran (Algeria); Bouafia, H. [Laboratoire de Génie Physique, Université Ibn-Khaldoun, Tiaret 14000 (Algeria); Hiadsi, S. [Laboratoire de Microscope Electronique et Sciences des Matériaux, Université d’Oran des Sciences et de la Technologie-USTO, Mohamed Boudiaf, Faculté de physique, Département de Génie Physique, Oran (Algeria); Abidri, B. [Laboratoire des Matériaux Magnétiques, Université Djillali Liabés, Sidi Bel-Abbes (Algeria); Sahli, B. [Laboratoire de Génie Physique, Université Ibn-Khaldoun, Tiaret 14000 (Algeria); Elchikh, M.; Timaoui, M.A.; Djebour, B. [Laboratoire de Microscope Electronique et Sciences des Matériaux, Université d’Oran des Sciences et de la Technologie-USTO, Mohamed Boudiaf, Faculté de physique, Département de Génie Physique, Oran (Algeria)

2017-01-15

In this work we report the results of ab-initio studies of structural, mechanical, electronic and magnetic properties of Co based Co{sub 2}MnSi Heusler compound in stoichiometric composition. All of which are accurately calculated by the full-potential (FP-LMTO) program combined with the spin polarized generalized gradient approximation in the density functional formalism (DFT). The total energy calculations clearly favor the ferromagnetic ground state. The lattice parameter, elastic constants and their related parameters were also evaluated and compared to experimental and theoretical values whenever possible. In this paper, the electronic properties are treated with GGA+U approach. The magnetic exchange constants temperature has been calculated using a mean field-approximation (MFA). The half-metal to metal transition was observed around 40 GPa. Increasing pressure has no impact on the total magnetic moment or the overall shape of the band structure that indicates the robustness of the electronic structure of this system. - Highlights: • In this work, we have studied some physical properties of Co{sub 2}MnSi Heusler compound. • The exchange-correlation energy is treated within GGA and (GGA+U) approximation. • The electronic band structure shows that Co{sub 2}MnSi is a half-metallic compound.

Magnetocaloric effect and transport properties of Gd5Ge2(Si1-x Sn x )2 (x=0.23 and 0.40) compounds

International Nuclear Information System (INIS)

Campoy, J.C.P.; Plaza, E.J.R.; Nascimento, F.C.; Coelho, A.A.; Pereira, M.C.; Fabris, J.D.; Raposo, M.T.; Cardoso, L.P.; Persiano, A.I.C.; Gama, S.

2007-01-01

We report a study about the structural properties of polycrystalline samples of nominal composition Gd 5 Ge 2 (Si 1- x Sn x ) 2 (x=0.23, 0.40) that closely influence their physical behavior particularly related to electric resistivity and magnetocaloric (MCE) effect. The samples were characterized by X-ray diffraction (XRD) using the Rietveld refinement method, metallographic analyses, 119 Sn Moessbauer spectroscopy, DC magnetization and electrical transport measurements. It was identified a Gd 5 Si 2 Ge 2 -monoclinic phase for x=0.23 and a Sm 5 Sn 4 -orthorhombic phase (type II) for x=0.40, both with two non-equivalent crystallographic sites for the Sn ions. We were able to infer on the role of tin on the magnetic and transport properties in these compounds

The structure and band gap design of high Si doping level Ag{sub 1−x}Ga{sub 1−x}Si{sub x}Se{sub 2} (x=1/2)

Energy Technology Data Exchange (ETDEWEB)

Zhang, Shiyan [College of Chemistry and Chemical Engineering, Shanghai University of Engineering Science, Shanghai 201620 (China); Mei, Dajiang, E-mail: meidajiang718@pku.edu.cn [College of Chemistry and Chemical Engineering, Shanghai University of Engineering Science, Shanghai 201620 (China); Du, Xin [Beijing National Laboratory for Molecular Sciences and State Key Laboratory of Rare Earth Materials Chemistry and Applications, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871 (China); Lin, Zheshuai [Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Chinese Academy of Sciences, Beijing 100190 (China); Zhong, Junbo [Key Laboratory of Green Catalysis of Higher Education Institutes of Sichuan, College of Chemistry and Pharmaceutical Engineering, Sichuan University of Science and Engineering, Zigong 643000 (China); Wu, Yuandong, E-mail: wuyuandong2013@outlook.com [College of Chemistry and Chemical Engineering, Shanghai University of Engineering Science, Shanghai 201620 (China); Xu, Jingli [College of Chemistry and Chemical Engineering, Shanghai University of Engineering Science, Shanghai 201620 (China)

2016-06-15

Ag{sub 1−x}Ga{sub 1−x}Si{sub x}Se{sub 2} solutions with high Si doping level (x=1/2) are considered and new compound AgGaSiSe{sub 4} has been synthesized. It crystallizes in space group Aea2 and possesses very long axis of a=63.06(1)Å. The three-dimensional framework in AgGaSiSe{sub 4} is composed of AgSe{sub 3} trigonal planar units, AgSe{sub 4} tetrahedra and MSe{sub 4}(M=Si, Ga) tetrahedra. AgGaSiSe{sub 4} is a congruently melting compound with the melt temperature of 759 °C. The diffuse reflectance measurements reveal the band gap of 2.63 eV in AgGaSiSe{sub 4} and the value is 0.33 eV larger than that of Ag{sub 3}Ga{sub 3}SiSe{sub 8} (2.30 eV). - Graphical abstract: The Ag{sub 1−x}Ga{sub 1−x}Si{sub x}Se{sub 2} with high Si doping level (x=1/2) has been studied and the new compound AgGaSiSe{sub 4} was synthesized for the first time. AgGaSiSe{sub 4} crystallizes in a new structure type in space group Aea2 and adopts a three-dimensional framework consisting of AgSe{sub 3} trigonal planar units, AgSe{sub 4} tetrahedra and MSe{sub 4} (M=Si, Ge) tetrahedra. Display Omitted - Highlights: • Study of Ag{sub 1−x}Ga{sub 1−x}Si{sub x}Se{sub 2} with high Si doping level (x=1/2). • Successful synthesis of new compound named AgGaSiSe{sub 4}. • AgGaSiSe{sub 4} crystallizes in space group Aea2 and adopts a three-dimensional framework. • The energy band gap of AgGaSiSe{sub 4} is enlarged compared with Ag{sub 3}Ga{sub 3}SiSe{sub 8}.

Photoemission study on electrical dipole at SiO_2/Si and HfO_2/SiO_2 interfaces

International Nuclear Information System (INIS)

Fujimura, Nobuyuki; Ohta, Akio; Ikeda, Mitsuhisa; Makihara, Katsunori; Miyazaki, Seiichi

2017-01-01

Electrical dipole at SiO_2/Si and HfO_2/SiO_2 interfaces have been investigated by X-ray photoelectron spectroscopy (XPS) under monochromatized Al Kα radiation. From the analysis of the cut-off energy for secondary photoelectrons measured at each thinning step of a dielectric layer by wet-chemical etching, an abrupt potential change caused by electrical dipole at SiO_2/Si and HfO_2/SiO_2 interfaces has been clearly detected. Al-gate MOS capacitors with thermally-grown SiO_2 and a HfO_2/SiO_2 dielectric stack were fabricated to evaluate the Al work function from the flat band voltage shift of capacitance-voltage (C-V) characteristics. Comparing the results of XPS and C-V measurements, we have verified that electrical dipole formed at the interface can be directly measured by photoemission measurements. (author)

Measurement of pressure effects on the magnetic and the magnetocaloric properties of the intermetallic compounds DyCo2 and Er(Co1-xSix)2

International Nuclear Information System (INIS)

Singh, Niraj K; Kumar, Pramod; Suresh, K G; Nigam, A K; Coelho, A A; Gama, S

2007-01-01

The effect of external pressure on the magnetic properties and magnetocaloric effect of polycrystalline compounds DyCo 2 and Er(Co 1-x Si x ) 2 (x = 0,0.025 and 0.05) has been studied. The ordering temperatures of both the parent and the Si-substituted compounds are found to decrease with pressure. In all the compounds, the critical field for metamagnetic transition increases with pressure. It is seen that the magnetocaloric effect in the parent compounds is almost insensitive to pressure, while there is considerable enhancement in the case of Si-substituted compounds. Spin fluctuations arising from the magnetovolume effect play a crucial role in determining the pressure dependence of the magnetocaloric effect in these compounds. The variation of the magnetocaloric effect is explained on the basis of the Landau theory of magnetic phase transitions

Effects of MeV Si ions bombardment on the thermoelectric generator from SiO{sub 2}/SiO{sub 2} + Cu and SiO{sub 2}/SiO{sub 2} + Au nanolayered multilayer films

Energy Technology Data Exchange (ETDEWEB)

Budak, S., E-mail: satilmis.budak@aamu.edu [Department of Electrical Engineering, Alabama A and M University, Normal, AL (United States); Chacha, J., E-mail: chacha_john79@hotmail.com [Department of Electrical Engineering, Alabama A and M University, Normal, AL (United States); Smith, C., E-mail: cydale@cim.aamu.edu [Center for Irradiation of Materials, Alabama A and M University, Normal, AL (United States); Department of Physics, Alabama A and M University, Normal, AL (United States); Pugh, M., E-mail: marcuspughp@yahoo.com [Department of Electrical Engineering, Alabama A and M University, Normal, AL (United States); Colon, T. [Department of Mechanical Engineering, Alabama A and M University, Normal, AL (United States); Heidary, K., E-mail: kaveh.heidary@aamu.edu [Department of Electrical Engineering, Alabama A and M University, Normal, AL (United States); Johnson, R.B., E-mail: barry@w4wb.com [Department of Physics, Alabama A and M University, Normal, AL (United States); Ila, D., E-mail: ila@cim.aamu.edu [Center for Irradiation of Materials, Alabama A and M University, Normal, AL (United States); Department of Physics, Alabama A and M University, Normal, AL (United States)

2011-12-15

The defects and disorder in the thin films caused by MeV ions bombardment and the grain boundaries of these nanoscale clusters increase phonon scattering and increase the chance of an inelastic interaction and phonon annihilation. We prepared the thermoelectric generator devices from 100 alternating layers of SiO{sub 2}/SiO{sub 2} + Cu multi-nano layered superlattice films at the total thickness of 382 nm and 50 alternating layers of SiO{sub 2}/SiO{sub 2} + Au multi-nano layered superlattice films at the total thickness of 147 nm using the physical vapor deposition (PVD). Rutherford Backscattering Spectrometry (RBS) and RUMP simulation have been used to determine the stoichiometry of the elements of SiO{sub 2}, Cu and Au in the multilayer films and the thickness of the grown multi-layer films. The 5 MeV Si ions bombardments have been performed using the AAMU-Center for Irradiation of Materials (CIM) Pelletron ion beam accelerator to make quantum (nano) dots and/or quantum (quantum) clusters in the multilayered superlattice thin films to decrease the cross plane thermal conductivity, increase the cross plane Seebeck coefficient and cross plane electrical conductivity. To characterize the thermoelectric generator devices before and after Si ion bombardments we have measured Seebeck coefficient, cross-plane electrical conductivity, and thermal conductivity in the cross-plane geometry for different fluences.

Unusual antiferromagnetic structure of YbCo{sub 2}Si{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Mufti, N. [Max-Planck-Institut fuer Chemische Physik fester Stoffe, Dresden (Germany); Department of Physics, State University of Malang, Malang (Indonesia); Kaneko, K. [Max-Planck-Institut fuer Chemische Physik fester Stoffe, Dresden (Germany); Quantum Beam Science Center, Japan Atomic Energy Agency, Tokai (Japan); Hoser, A. [Helmholtz-Zentrum Berlin fuer Materialien und Energie, Berlin (Germany); Gutmann, M. [ISIS Neutron and Muon Source, Rutherford Appleton Laboratory, Didcot (United Kingdom); Geibel, C.; Stockert, O. [Max-Planck-Institut fuer Chemische Physik fester Stoffe, Dresden (Germany); Krellner, C. [Max-Planck-Institut fuer Chemische Physik fester Stoffe, Dresden (Germany); Physikalisches Institut, Goethe-Universitaet Frankfurt, Frankfurt (Germany)

2016-07-01

We report on extensive powder and single crystal neutron diffraction experiments to study the magnetic structure in YbCo{sub 2}Si{sub 2} below the Neel temperature T{sub N} = 1.7 K in detail. Representation analysis has been used to find the possible magnetic structure models compatible with the experiments. Two different magnetically ordered phases can clearly be distinguished. At lowest temperatures a commensurate magnetic structure with a propagation vector k{sub 1} = (0.25 0.25 1) and equal moments or about 1.4 μ{sub B}/Yb is found, while the intermediate phase (T > 0.9 K) is characterized by an incommensurate amplitude-modulated magnetic structure with k{sub 2} = (0.25 0.086 1). The magnetic structure in YbCo{sub 2}Si{sub 2} is in stark contrast to all other compounds of the RCo{sub 2}Si{sub 2} family (R = rare earth element) likely due to some itineracy of the Yb 4f states being responsible for the magnetism.

Preparation and Characterization of Fluorescent SiO2 Microspheres

Science.gov (United States)

Xu, Cui; Zhang, Hao; Guan, Ruifang

2018-01-01

Fluorescent compound without typical fluorophores was synthesized with citric acid (CA) and aminopropyltriethoxysilane (APTS) firstly, and then it was grafted to the surface of the prepared SiO2 microspheres by chemical reaction. The fluorescent SiO2 microspheres with good fluorescent properties were obtained by optimizing the reaction conditions. And the morphology and structure of the fluorescent SiO2 microspheres have been characterized by scanning electron microscopy (SEM) and fourier transform infrared (FTIR) spectroscopy. The results showed that the preparation of fluorescent SiO2 microspheres have good monodispersity and narrow particle size distribution. Moreover, the fluorescent SiO2 microspheres can be applied to detect Fe3+ in aqueous solution, prepare fluorescent SiO2 rubber, and have potential to be applied in the fluorescent labeling and fingerprint appearing technique fields.

Standard enthalpies of formation of selected Ru{sub 2}YZ Heusler compounds

Energy Technology Data Exchange (ETDEWEB)

Yin, Ming, E-mail: myin1@hawk.iit.edu; Nash, Philip

2015-06-15

Highlights: • Standard enthalpies of formation of Ru{sub 2}YZ were measured using a drop calorimeter. • Result of L2{sub 1} structured compounds agrees with first principles data. • Lattice parameters and related phase relationships were consistent with literature data. • Ru{sub 2}HfSn, Ru{sub 2}TiSn, Ru{sub 2}VGa, Ru{sub 2}VSi, Ru{sub 2}VSn of L2{sub 1} structure were reported for the first time. - Abstract: The standard enthalpies of formation of selected ternary Ru-based Heusler compounds Ru{sub 2}YZ (Y = Fe, Hf, Mn, Ti, V; Z = Al, Ga, In, Si, Ge, Sn) were measured using high temperature direct reaction calorimetry. The measured enthalpies of formation (in kJ/mole of atoms) of the Heusler compounds are, Ru{sub 2}FeGe (−19.7 ± 3.3); Ru{sub 2}HfSn (−24.9 ± 3.6); Ru{sub 2}MnSi (−46.0 ± 2.6); Ru{sub 2}MnGe (−29.7 ± 1.0); Ru{sub 2}MnSn (−20.6 ± 2.4); Ru{sub 2}TiSi (−94.9 ± 4.0); Ru{sub 2}TiGe (−79.1 ± 3.2); Ru{sub 2}TiSn (−60.6 ± 1.8); Ru{sub 2}VSi (−55.9 ± 1.7);for the B2-structured compounds, Ru{sub 2}FeSi (−28.5 ± 0.8); Ru{sub 2}HfAl (−70.8 ± 1.9); Ru{sub 2}MnAl (−32.3 ± 1.9); Ru{sub 2}MnGa (−25.3 ± 3.0); Ru{sub 2}TiAl (−62.7 ± 3.5); Ru{sub 2}VAl (−30.9 ± 1.6); Ru{sub 2}ZrAl (−64.5 ± 1.5). Values were compared with those from published first principles calculations and the OQMD (Open Quantum Materials Database). Lattice parameters of these compounds were determined using X-ray diffraction analysis (XRD). Microstructures were identified using scanning electron microscopy (SEM) and Energy Dispersive Spectroscopy (EDS)

Phosphinodi(benzylsilane) PhP{(o-C6H4CH2)SiMe2H}2: a versatile "PSi2Hx" pincer-type ligand at ruthenium.

Science.gov (United States)

Montiel-Palma, Virginia; Muñoz-Hernández, Miguel A; Cuevas-Chávez, Cynthia A; Vendier, Laure; Grellier, Mary; Sabo-Etienne, Sylviane

2013-09-03

The synthesis of the new phosphinodi(benzylsilane) compound PhP{(o-C6H4CH2)SiMe2H}2 (1) is achieved in a one-pot reaction from the corresponding phenylbis(o-tolylphosphine). Compound 1 acts as a pincer-type ligand capable of adopting different coordination modes at Ru through different extents of Si-H bond activation as demonstrated by a combination of X-ray diffraction analysis, density functional theory calculations, and multinuclear NMR spectroscopy. Reaction of 1 with RuH2(H2)2(PCy3)2 (2) yields quantitatively [RuH2{[η(2)-(HSiMe2)-CH2-o-C6H4]2PPh}(PCy3)] (3), a complex stabilized by two rare high order ε-agostic Si-H bonds and involved in terminal hydride/η(2)-Si-H exchange processes. A small free energy of reaction (ΔrG298 = +16.9 kJ mol(-1)) was computed for dihydrogen loss from 3 with concomitant formation of the 16-electron species [RuH{[η(2)-(HSiMe2)-CH2-o-C6H4]PPh[CH2-o-C6H4SiMe2]}(PCy3)] (4). Complex 4 features an unprecedented (29)Si NMR decoalescence process. The dehydrogenation process is fully reversible under standard conditions (1 bar, 298 K).

Comparisons between TiO2- and SiO2-flux assisted TIG welding processes.

Science.gov (United States)

Tseng, Kuang-Hung; Chen, Kuan-Lung

2012-08-01

This study investigates the effects of flux compounds on the weld shape, ferrite content, and hardness profile in the tungsten inert gas (TIG) welding of 6 mm-thick austenitic 316 L stainless steel plates, using TiO2 and SiO2 powders as the activated fluxes. The metallurgical characterizations of weld metal produced with the oxide powders were evaluated using ferritoscope, optical microscopy, and Vickers microhardness test. Under the same welding parameters, the penetration capability of TIG welding with TiO2 and SiO2 fluxes was approximately 240% and 292%, respectively. A plasma column made with SiO2 flux exhibited greater constriction than that made with TiO2 flux. In addition, an anode root made with SiO2 flux exhibited more condensation than that made with TiO2 flux. Results indicate that energy density of SiO2-flux assisted TIG welding is higher than that of TiO2-flux assisted TIG welding.

Electronic structures and superconductivity in LuTE2Si2 phases (TE = d-electron transition metal)

Science.gov (United States)

Samsel-Czekała, M.; Chajewski, G.; Wiśniewski, P.; Romanova, T.; Hackemer, A.; Gorzelniak, R.; Pikul, A. P.; Kaczorowski, D.

2018-05-01

In the course of our search for unconventional superconductors amidst the 1:2:2 phases, we have re-investigated the LuTE2Si2 compounds with TE = Fe, Co, Ni, Ru, Pd and Pt. In this paper, we present the results of our fully relativistic ab initio calculations of the band structures, performed using the full-potential local-orbital code. The theoretical data are supplemented by the results of low-temperature electrical transport and specific heat measurements performed down to 0.35 K. All the materials studied but LuPt2Si2 crystallize with the body-centered tetragonal ThCr2Si2-type structure (space group I4/mmm). Their Fermi surfaces exhibit a three-dimensional multi-band character. In turn, the Pt-bearing compound adopts the primitive tetragonal CaBe2Ge2-type structure (space group P4/nmm), and its Fermi surface consists of predominantly quasi-two-dimensional sheets. Bulk superconductivity was found only in LuPd2Si2 and LuPt2Si2 (independent of the structure type and dimensionality of the Fermi surface). The key superconducting characteristics indicate a fully-gapped BCS type character. Though the electronic structure of LuFe2Si2 closely resembles that of the unconventional superconductor YFe2Ge2, this Lu-based silicide exhibits neither superconductivity nor spin fluctuations at least down to 0.35 K.

Influence of substrate treatment on the growth of advanced core–shell alloys and compounds of FeSi@SiO2 and SiO2 nanowires

CSIR Research Space (South Africa)

Thabethe, S

2014-12-01

Full Text Available Advanced core–shell FeSi@SiO(subx) nanowires are observed when FeCl(sub3) vapour is made to flow over a SiO(sub2)/Si substrate at 1100 degress C. The thickness of the SiO(subx) sheath (d0) is found to depend inversely as the period of time of HF...

Self-propagating high temperature synthesis as a method of determination of formation heat of refractory compounds

International Nuclear Information System (INIS)

Maslov, V.M.; Neganov, A.S.; Borovinskaya, I.P.; Merzhanov, A.G.

1978-01-01

Determination possibility of formation heats of refractory compounds in the process of direct synthesis from elements in a special calorimeter in the combustion regime is studied. Determined are formation heats of carbides - ZrCsub(0.92), Hf Csub(0.93), TaCsub(0.86), borides - ZrB 2 , HfB 2 NbB, NbB 2 , TaB, TaB 2 , MoB and silicides - ZrSi, ZrSi 2 , MoSi 2 . The results of chemical and x-ray phase analyses of the synthesized compounds are also given. Total error of formation heat determination methods does not surpass 2.0%

Investigations on the crystal-structure and non-ambient behaviour of K2Ca2Si8O19 - a new potassium calcium silicate

Science.gov (United States)

Schmidmair, Daniela; Kahlenberg, Volker; Praxmarer, Alessandra; Perfler, Lukas; Mair, Philipp

2017-09-01

Within the context of a systematic re-investigation of phase relationships between compounds of the ternary system K2O-CaO-SiO2 a new potassium calcium silicate with the chemical formula K2Ca2Si8O19 was synthesized via solid state reactions as well as the flux method using KCl as a solvent. Its crystal structure was determined from single-crystal X-ray diffraction data by applying direct methods. The new compound crystallizes in the triclinic space group P 1 bar . Unit cell dimensions are a = 7.4231(7) Å, b = 10.7649(10) Å, c = 12.1252(10) Å, α = 70.193(8)°, β = 83.914(7)° and γ = 88.683(7)°. K2Ca2Si8O19 is built up of corner-connected, slightly distorted [SiO4]-tetrahedra forming double-sheets, which are linked by double-chains of edge-sharing [CaO6]-octahedra. Electroneutrality of the material is provided by additional potassium atoms that are located within the voids of the silicate layers and between adjacent [Ca2O6]-double-chains. Further characterization of the compound was performed by Raman spectroscopy and differential thermal analysis. The behaviour of K2Ca2Si8O19 under high-temperature and high-pressure was investigated by in-situ high-temperature powder X-ray diffraction up to a maximum temperature of 1125 °C and a piston cylinder experiment at 1.5 GPa and 1100 °C. Additionally an overview of known double-layer silicates is given as well as a comparison of K2Ca2Si8O19 to closely related structures.

Analysis of thermoluminescence kinetics of Mg2SiO4:Tb compounds employing an interactive model

International Nuclear Information System (INIS)

Marcazzo, J.; Prokic, M.; Santiago, M.; Molina, P.; Caselli, E.

2009-01-01

The kinetics involved in the thermoluminescence (TL) of Mg 2 SiO 4 :Tb compounds has been investigated by unfolding glow curves employing both the General Order model and a model that takes into account interactions among traps. The dependence of the glow curve shape on dose is only correctly described if interaction among traps is included in the analysis.

First-principles study on the structural, electronic and magnetic properties of the Ti{sub 2}VZ (Z = Si, Ge, Sn) full-Heusler compounds

Energy Technology Data Exchange (ETDEWEB)

Qi, Santao; Shen, Jiang [Institute for Applied Physics, University of Science and Technology Beijing, Beijing 100083 (China); Zhang, Chuan-Hui, E-mail: zhangch@ustb.edu.cn [National Center for Materials Service Safety, University of Science and Technology Beijing, Beijing 100083 (China)

2015-08-15

In the present work, we have investigated the structural, electronic and magnetic properties of Ti{sub 2}VZ (Z = Si, Ge, Sn) alloys with Hg{sub 2}CuTi-type structure in the framework of density functional theory with generalized gradient approximation (GGA). The calculated results show that Ti{sub 2}VSi and Ti{sub 2}VGe alloys belong to half-metallic compounds with a perfect 100% spin polarization at the Fermi level while Ti{sub 2}VSn alloy is just a conventional ferrimagnetism compound. And the total magnetic moment of Ti{sub 2}VSi and Ti{sub 2}VGe obey the Slater–Pauling (SP) rule. In a moderate variation range of lattice distortion, Ti{sub 2}VSi and Ti{sub 2}VGe remain half-metallicity. We expect that our calculated results may trigger Ti{sub 2}VZ (Z = Si, Ge, Sn) applying in the future spintronics field. - Highlights: • Structural properties of Ti{sub 2}VZ (Z = Si, Ge, Sn) have been achieved by ab initio. • The calculations proved Ti{sub 2}VSi and Ti{sub 2}VGe to be half-metallic compounds. • The total magnetic moments of Ti{sub 2}VSi and Ti{sub 2}VGe followed the SP rule M{sub t} = Z{sub t} − 18. • Their magnetic and half-metallic properties changed with lattice distortion.

Magnetic order in Pu2M3Si5 (M = Co, Ni)

International Nuclear Information System (INIS)

Bauer, E D; Tobash, P H; Mitchell, J N; Kennison, J A; Ronning, F; Scott, B L; Thompson, J D

2011-01-01

The physical properties including magnetic susceptibility, specific heat, and electrical resistivity of two new plutonium compounds Pu 2 M 3 Si 5 (M = Co, Ni) are reported. Pu 2 Ni 3 Si 5 crystallizes in the orthorhombic U 2 Co 3 Si 5 structure type, which can be considered a variant of the BaAl 4 tetragonal structure, while Pu 2 Co 3 Si 5 adopts the closely related monoclinic Lu 2 Co 3 Si 5 type. Magnetic order is observed in both compounds, with Pu 2 Ni 3 Si 5 ordering ferromagnetically at T C = 65 K then undergoing a transition into an antiferromagnetic state below T N = 35 K. Two successive magnetic transitions are also observed at T mag1 = 38 K and T mag2 = 5 K in Pu 2 Co 3 Si 5 . Specific heat measurements reveal that these two materials have a moderately enhanced Sommerfeld coefficient γ ∼ 100 mJ/mol Pu K 2 in the magnetic state with comparable RKKY and Kondo energy scales.

Computational study of structural, elastic and electronic properties of lithium disilicate (Li(2)Si(2)O(5)) glass-ceramic.

Science.gov (United States)

Biskri, Zine Elabidine; Rached, Habib; Bouchear, Merzoug; Rached, Djamel

2014-04-01

The objective of this study is to investigate theoretically the structural, elastic and electronic properties of Lithium Disilicate (LD) crystal (Li2Si2O5), using the pseudo potential method based on Density Functional Theory (DFT) with the Local Density Approximation (LDA) and the Generalized Gradient Approximation (GGA). The calculated structural properties namely the equilibrium lattice parameters and cell volume are in good agreement with the available experimental results. However, for the LD crystal elastic moduli: Shear modulus G, Young's modulus E and Poisson's ratio ν we have found a discrepancy between our theoretical values and experimental ones reported in polycrystalline sample containing LD crystals. The calculated elastic properties show that LD is more rigid compared with other components. We also investigated the mechanical stability of Li2Si2O5 compound and we have noticed that this compound is stable against elastic deformations. On the basis of shear to bulk modulus ratio analysis, we inferred that Li2Si2O5 compound is brittle in nature. In order to complete the fundamental characteristics of this compound we have measured the elastic anisotropy. Our results for the energy band structure and Density of States (DOS) show that Li2Si2O5 compound has an insulator characteristic. Copyright © 2013 Elsevier Ltd. All rights reserved.

TaxHf1−xB2–SiC multiphase oxidation protective coating for SiC-coated carbon/carbon composites

International Nuclear Information System (INIS)

Ren, Xuanru; Li, Hejun; Fu, Qiangang; Li, Kezhi

2014-01-01

Highlights: • Ta x Hf 1−x B 2 –SiC coating was prepared on SiC coated C/C by in-situ reaction method. • TaB 2 and HfB 2 were introduced in the form of solid solution Ta x Hf 1−x B 2 . • The coating could protect C/C for 1480 h with only 0.57% mass loss at 1773 K in air. • Oxidation layer consists of out Ta–Si–O compound layer and inner SiO 2 glass layer. • Ta–Si–O compound silicate layer presents a better stability than SiO 2 glass layer. - Abstract: A Ta x Hf 1−x B 2 –SiC coating was prepared by in-situ reaction method on SiC coated C/C composites. Ta x Hf 1−x B 2 phase is the form of solid solution between TaB 2 and HfB 2 . Isothermal oxidation behavior at 1773 K and ablation behavior of the coated C/C were tested. Ta x Hf 1−x B 2 –SiC/SiC coating could protect the C/C from oxidation at 1773 K for 1480 h and ablation above 2200 K for 40 s. During oxidation, oxides of Ta and Hf atoms exist as “pinning phases” in the compound glass layer consisted of outer Ta–Si–O compound silicate layer and inner SiO 2 glass layer, which was responsible for the excellent oxidation resistance

Density-functional theory molecular dynamics simulations of a-HfO2/a-SiO2/SiGe and a-HfO2/a-SiO2/Ge with a-SiO2 and a-SiO suboxide interfacial layers

Science.gov (United States)

Chagarov, Evgueni A.; Kavrik, Mahmut S.; Fang, Ziwei; Tsai, Wilman; Kummel, Andrew C.

2018-06-01

Comprehensive Density-Functional Theory (DFT) Molecular Dynamics (MD) simulations were performed to investigate interfaces between a-HfO2 and SiGe or Ge semiconductors with fully-stoichiometric a-SiO2 or sub-oxide SiO interlayers. The electronic structure of the selected stacks was calculated with a HSE06 hybrid functional. Simulations were performed before and after hydrogen passivation of residual interlayer defects. For the SiGe substrate with Ge termination prior to H passivation, the stacks with a-SiO suboxide interlayer (a-HfO2/a-SiO/SiGe) demonstrate superior electronic properties and wider band-gaps than the stacks with fully coordinated a-SiO2 interlayers (a-HfO2/a-SiO2/SiGe). After H passivation, most of the a-HfO2/a-SiO2/SiGe defects are passivated. To investigate effect of random placement of Si and Ge atoms additional simulations with a randomized SiGe slab were performed demonstrating improvement of electronic structure. For Ge substrates, before H passivation, the stacks with a SiO suboxide interlayer (a-HfO2/a-SiO/Ge) also demonstrate wider band-gaps than the stacks with fully coordinated a-SiO2 interlayers (a-HfO2/a-SiO2/Ge). However, even for a-HfO2/a-SiO/Ge, the Fermi level is shifted close to the conduction band edge (CBM) consistent with Fermi level pinning. Again, after H passivation, most of the a-HfO2/a-SiO2/Ge defects are passivated. The stacks with fully coordinated a-SiO2 interlayers have much stronger deformation and irregularity in the semiconductor (SiGe or Ge) upper layers leading to multiple under-coordinated atoms which create band-edge states and decrease the band-gap prior to H passivation.

Si-O compound formation by oxygen ion implantation into silicon

International Nuclear Information System (INIS)

Hensel, E.; Wollschlaeger, K.; Kreissig, U.; Skorupa, W.; Schulze, D.; Finster, J.

1985-01-01

High dose oxygen ion implantation into silicon at 30 keV was performed to produce understoichiometric and stoichiometric surface oxide layers of approx. 160 nm thickness. The oxygen depth profile and oxide stoichiometry was determined by RBS and XPS. Si-O compound formation was found by IR spectroscopy and XPS in the unannealed samples as well as after target heating, furnace or flash lamp annealing. As implanted understoichiometric layers consist of random bonding like SiOsub(x) (O 2 after annealing. Unannealed stoichiometric layers are bond strained SiO 2 . The activation energies of demixing and of the annealing of bond strains are determined to 0.19 and 0.13 eV, respectively. The removing of bond strains occurs at temperatures >= 800 C in a time shorter than 1 s. The SiO 2 /Si transition region of unannealed stoichiometric layers consists of SiOsub(x) with an extent of about 10 nm. After annealing this extent diminishes to 0.8 to 1 nm in consequence of oxidation by excess oxygen from the overstoichiometric oxide region. This thickness is comparable with that of thermal oxide. (author)

Synthesis and crystal structure of alkali metal diamido dioxosilicates M2SiO2(NH2)2 with M corresponds to K, Rb and Cs

International Nuclear Information System (INIS)

Jacobs, H.; Mengis, H.

1993-01-01

SiO 2 - α-quartz - reacts with alkali metal amides MNH 2 (M corresponds to K, Rb, and Cs) in molar ratios from 1:2 to 1:10 at 450 C ≤ T ≤ 600 C and P(NH 3 ) = 6 kbar in autoclaves to diamidodioxosilicates M[SiO 2 (NH 2 ) 2 ]. Crystals of the colourless compounds which hydrolyze rapidly were investigated by X-ray methods. (orig.)

BAND ALIGNMENT OF ULTRATHIN GIZO/SiO2/Si HETEROSTRUCTURE DETERMINED BY ELECTRON SPECTROSCOPY

Directory of Open Access Journals (Sweden)

Hee Jae Kang2

2011-11-01

Full Text Available Amorphous GaInZnO (GIZO thin films are grown on SiO2/Si substrate by the RF magnetron sputtering method. By thecombination of measured band gaps from reflection energy loss spectroscopy (REELS spectra and valence band fromX-ray photo-electron spectroscopy (XPS spectra, we have demonstrated the energy band alignment of GIZO thin films.The band gap values are 3.2 eV, 3.2 eV, 3.4eV and 3.6eV for the concentration ratios of Ga: In: Zn in GIZO thin filmsare 1:1:1, 2:2:1, 3:2:1 and 4:2:1, respectively. These are attributed to the larger band gap energy of Ga2O3 comparedwith In2O3 and ZnO. The valence band offsets (ΔEv decrease from 2.18 to 1.68 eV with increasing amount of Ga inGIZO thin films for GIZO1 to GIZO4, respectively. These experimental values of band gap and valence band offsetwill provide the further understanding in the fundamental properties of GIZO/SiO2/Si heterostructure, which will beuseful in the design, modeling and analysis of the performance devices applications.

Ternary alloying study of MoSi2

International Nuclear Information System (INIS)

Yi, D.; Li, C.; Akselsen, O.M.; Ulvensoen, J.H.

1998-01-01

Ternary alloying of MoSi 2 with adding a series of transition elements was investigated by X-ray diffraction (XRD), scanning electron microscopy, transmission electron microscopy (TEM), and energy dispersive spectroscopy (EDS). Iron, Co, Ni, Cr, V, Ti, and Nb were chosen as alloying elements according to the AB 2 structure map or the atomic size factor. The studied MoSi 2 base alloys were prepared by the arc melting process from high-purity metals. The EDS analysis showed that Fe, Co, and Ni have no solid solubility in as-cast MoSi 2 , while Cr, V, Ti, and Nb exhibit limited solid solubilities, which were determined to be 1.4 ± 0.7, 1.4 ± 0.4, 0.4 ± 0.1, and 0.8 ± 0.1. Microstructural characterization indicated that Mo-Si-M VIII (M VIII = Fe, Co, Ni) and Mo-Si-Cr alloys have a two-phase as-cast microstructure, i.e., MoSi 2 matrix and the second-phase FeSi 2 , CoSi, NiSi 2 , and CrSi 2 , respectively. In as-cast Mo-Si-V, Mo-Si-Ti, and Mo-Si-Nb alloys, besides MoSi 2 and C40 phases, the third phases were observed, which have been identified to be (Mo, V) 5 Si 3 , TiSi 2 , and (Mo, Nb) 5 Si 3

A potential method using Ge{iPrNC[N(SiMe_3)_2]NiPr}{sub 2}, (Et{sub 3}Si){sub 2}Te and anhydrous hydrazine for germanium tellurides

Energy Technology Data Exchange (ETDEWEB)

Du, Liyong; Du, Shulei; Ding, Yuqiang [School of Chemical and Material Engineering, Jiangnan University, Wuxi (China)

2017-12-29

A germanium(II)-guanidine derivative of formula Ge{iPrNC[N(SiMe_3)_2]NiPr}{sub 2} (1) was synthesized and characterized by {sup 1}H NMR, {sup 13}C NMR, elemental analysis, and X-ray diffraction method. Thermal property was also studied to identify its thermal stability and volatility. More importantly, compound 1 was synthesized to develop a new method for germanium tellurides, where anhydrous hydrazine was introduced to prompt the activity of germanium(II) guanidines (or derivatives) towards (Et{sub 3}Si){sub 2}Te. Solution reaction of compound 1, (Et{sub 3}Si){sub 2}Te, and anhydrous hydrazine was investigated to pre-identify the feasibility of this combination for ALD process. The EDS data of the black precipitate from this reaction verified the potential of this method to manufacture germanium tellurides. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Analyses of the As doping of SiO{sub 2}/Si/SiO{sub 2} nanostructures

Energy Technology Data Exchange (ETDEWEB)

Ruffino, Francesco; Miritello, Maria [CNR-IMM MATIS, via S. Sofia 64, 95123 Catania (Italy); Tomasello, Mario Vincenzo [Scuola Superiore di Catania, via San Nullo 5/i, 95123 Catania (Italy); De Bastiani, Riccardo; Grimaldi, Maria Grazia [Dipartimento di Fisica ed Astronomia, Universita di Catania, via S. Sofia 64, 95123 Catania (Italy); CNR-IMM MATIS, via S. Sofia 64, 95123 Catania (Italy); Nicotra, Giuseppe; Spinella, Corrado [Consiglio Nazionale delle Ricerche-Istituto per la Microelettronica e Microsistemi (CNR-IMM), VIII Strada 5, 95121 Catania (Italy)

2011-03-15

We illustrate the behaviour of As when it is confined, by the implantation technique, in a SiO{sub 2}(70nm)/Si(30nm)/SiO{sub 2}(70nm) multilayer and its spatial redistribution when annealing processes are performed. By Rutherford backscattering spectrometry and Z-contrast transmission electron microscopy we found an As accumulation at the Si/SiO{sub 2} interfaces and at the Si grain boundaries with no segregation of the As in the Si layer. Such an effect is in agreement with a model that assumes a traps distribution in the Si in the first 2-3 nm above the SiO{sub 2}/Si interfaces and along the Si grain boundaries. The traps concentration at the Si/SiO{sub 2} interfaces was estimated in 10{sup 14} traps/cm{sup 2}. The outlined results can open perspectives on the doping properties of As in Si nanocrystals, whose applications in nanoelectronics and optoelectronics are widely investigated (copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Dependence of Photocatalytic Activity of TiO2-SiO2 Nanopowders

Directory of Open Access Journals (Sweden)

M. Riazian

2014-10-01

Full Text Available Structural properties and chemical composition change the photocatalytic activity in TiO2-SiO2 nanopowder composite. The SiO2-TiO2 nanostructure is synthesized based on sol–gel method. The nanoparticles are characterized by x-ray fluorescents (XRF, x- ray diffraction (XRD, tunneling electron microscopy (TEM, field emission scanning electron microscopy (FE-SEM, UV-vis. Spectrophotometer and furrier transmission create infrared absorption (FTIR techniques. The rate constant k for the degradation of methylen blue in its aqueous solution under UV irradiation is determined as a measure of photocatalytic activity. Dependence between photocatalytic activity and SiO2 content in the composite is determined. Rate constant k is found dependent on the content of SiO2 in the composite that calcined at 900 oC. The addition of low composition SiO2 to the TiO2 matrix (lower than 45% enhances the photocatalytic activity due to thermal stability and increasing in the surface area. The effects of chemical compositions on the surface topography and the crystallization of phases are studied.

Magnetocaloric effect of Gd5 Si2 Ge2 alloys in low magnetic field

Indian Academy of Sciences (India)

Administrator

Gd5Si2Ge2 compounds are promising as high-performance magnetic refrigerants working room temperature in relatively low ... 2000) as well as their magnetic properties (Pecharsky ... tron microscope (SEM) with the energy dispersive X-ray.

Properties of the divalent-Yb compound YbAu{sub 2}Si{sub 2} under extreme conditions

Energy Technology Data Exchange (ETDEWEB)

Kaštil, J.; Míšek, M.; Kamarád, J.; Arnold, Z. [Institute of Physics AS CR, v.v.i., Na Slovance 1999/2, 182 21 Prague 8 (Czech Republic); Vlášková, K. [Charles University, Faculty of Mathematics and Physics, Department of Condensed Matter Physics, Ke Karlovu 5, 12116 Prague 2 (Czech Republic); Prchal, J., E-mail: prchal@karlov.mff.cuni.cz [Charles University, Faculty of Mathematics and Physics, Department of Condensed Matter Physics, Ke Karlovu 5, 12116 Prague 2 (Czech Republic); Diviš, M.; Doležal, P.; Prokleška, J.; Valenta, J.; Fikáček, J.; Rudajevová, A.; Kriegner, D. [Charles University, Faculty of Mathematics and Physics, Department of Condensed Matter Physics, Ke Karlovu 5, 12116 Prague 2 (Czech Republic)

2017-01-15

Polycrystalline YbAu{sub 2}Si{sub 2} has been prepared by arc melting and a non-standard anisotropic thermal expansion is observed at low temperatures. A non-magnetic Yb{sup 2+} valence state is derived from magnetization, magnetic-susceptibility, heat-capacity and electrical-conductivity measurements in the temperature range from 0.3 to 300 K and at external pressures up to 3.2 GPa. By both experimental and theoretical investigations, YbAu{sub 2}Si{sub 2} is confirmed to be a system with a weak electron-electron correlations and a small electron-phonon interaction. Application of hydrostatic pressure does not reveal any change of state in the range of applied pressures.

Synthesis, structural, electronic and linear electro-optical features of new quaternary Ag2Ga2SiS6 compound

Science.gov (United States)

Piasecki, M.; Myronchuk, G. L.; Parasyuk, O. V.; Khyzhun, O. Y.; Fedorchuk, A. O.; Pavlyuk, V. V.; Kozer, V. R.; Sachanyuk, V. P.; El-Naggar, A. M.; Albassam, A. A.; Jedryka, J.; Kityk, I. V.

2017-02-01

For the first time phase equilibria and phase diagram of the AgGaS2-SiS2 system were successfully explored by differential thermal and X-ray phase analysis methods. Crystal structure of low-temperature (LT) modification of Ag2Ga2SiS6 (LT- Ag2Ga2SiS6) was studied by X-ray powder method and it belongs to tetragonal space group I-42d, with unit cell parameters a=5.7164(4) Å, c=9.8023(7) Å, V=320.32(7) Å3. Additional details regarding the crystal structure exploration are available at the web page Fachinformationszentrum Karlsruhe. X-ray photoelectron core-level and valence-band spectra were measured for pristine LT- Ag2Ga2SiS6 crystal surface. In addition, the X-ray photoelectron valence-band spectrum of LT-Ag2Ga2SiS6 was matched on a common energy scale with the X-ray emission S Kβ1,3 and Ga Kβ2 bands, which give information on the energy distribution of the S 3p and Ga 4p states, respectively. The presented X-ray spectroscopy results indicate that the valence S p and Ga p atomic states contribute mainly to the upper and central parts of the valence band of LT-Ag2Ga2SiS6, respectively, with a less significant contribution also to other valence-band regions. Band gap energy was estimated by measuring the quantum energy in the spectral range of the fundamental absorption. We have found that energy gap Eg is equal to 2.35 eV at 300 K. LT-Ag2Ga2SiS6 is a photosensitive material and reveals two spectral maxima on the curve of spectral photoconductivity spectra at λmax1 =590 nm and λmax2 =860 nm. Additionally, linear electro-optical effect of LT-Ag2Ga2SiS6 for the wavelengths of a cw He-Ne laser at 1150 nm was explored.

Uncertainty measurement evaluation of WDXRF and EDXRF techniques for the Si and U{sub total} determination in U{sub 3}Si{sub 2} used as nuclear fuel material

Energy Technology Data Exchange (ETDEWEB)

Scapin, Marcos A.; Salvador, Vera L.R.; Cotrim, Marycel E.B.; Pires, Maria Ap. F.; Sato, Ivone M., E-mail: mascapin@ipen.b [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP) Sao Paulo, SP (Brazil). Centro de Quimica e Meio Ambiente

2009-07-01

Uranium silicide (U{sub 3}Si{sub 2}), 20% {sup 235}U enriched powder, is an intermetallic compound used as nuclear fuel material; that is the state-of-the-art among nuclear fuel materials used in modern research reactors. It is produced by IPEN and used as nuclear fuel of the IEA-R1 reactor (IPEN/CNEN, Sao Paulo, Brazil); U{sub 3}Si{sub 2} has 92.3%wtU and 7.7%wtSi. The qualification of this material requires chemical and physical tests such as Si and U{sub total} content, isotope ratio, impurities, density, specific surface area and particle size determination. The Si and U{sub total} determination were made by gravimetric and volumetric procedures at the Environment Chemistry Center (CQMA-IPEN/CNEN). Usually, these classical methods require a long time for analyses and are expensive. The objective of this study was to establish a fast and efficient analytical method to meet ISO/IEC 17025:2005 requirements in the Si and U{sub total} determination. The X-ray fluorescence techniques (XRF) were chosen to allow a direct and non-destructive testing, what is a principal advantage faced to other instrumental techniques, since previous chemical treatments are not necessary. In this study, the performance of the wavelength dispersive (WDXRF) and energy dispersive (EDXRF) X- ray fluorescence techniques was evaluated. Furthermore, two different sample preparation procedures, plain powdered and pressed powdered were evaluated. Statistical tools were used to evaluate the results and a comparison between these results and the conventional methods was done. (author)

The structure and band gap design of high Si doping level Ag1−xGa1−xSixSe2 (x=1/2)

International Nuclear Information System (INIS)

Zhang, Shiyan; Mei, Dajiang; Du, Xin; Lin, Zheshuai; Zhong, Junbo; Wu, Yuandong; Xu, Jingli

2016-01-01

Ag 1−x Ga 1−x Si x Se 2 solutions with high Si doping level (x=1/2) are considered and new compound AgGaSiSe 4 has been synthesized. It crystallizes in space group Aea2 and possesses very long axis of a=63.06(1)Å. The three-dimensional framework in AgGaSiSe 4 is composed of AgSe 3 trigonal planar units, AgSe 4 tetrahedra and MSe 4 (M=Si, Ga) tetrahedra. AgGaSiSe 4 is a congruently melting compound with the melt temperature of 759 °C. The diffuse reflectance measurements reveal the band gap of 2.63 eV in AgGaSiSe 4 and the value is 0.33 eV larger than that of Ag 3 Ga 3 SiSe 8 (2.30 eV). - Graphical abstract: The Ag 1−x Ga 1−x Si x Se 2 with high Si doping level (x=1/2) has been studied and the new compound AgGaSiSe 4 was synthesized for the first time. AgGaSiSe 4 crystallizes in a new structure type in space group Aea2 and adopts a three-dimensional framework consisting of AgSe 3 trigonal planar units, AgSe 4 tetrahedra and MSe 4 (M=Si, Ge) tetrahedra. Display Omitted - Highlights: • Study of Ag 1−x Ga 1−x Si x Se 2 with high Si doping level (x=1/2). • Successful synthesis of new compound named AgGaSiSe 4 . • AgGaSiSe 4 crystallizes in space group Aea2 and adopts a three-dimensional framework. • The energy band gap of AgGaSiSe 4 is enlarged compared with Ag 3 Ga 3 SiSe 8 .

Microstructure and mechanical properties of MoSi2–MoSi2 joints brazed by Ag–Cu–Zr interlayer

International Nuclear Information System (INIS)

Hatami Ramsheh, H.; Faghihi Sani, M.A.; Kokabi, A.H.

2013-01-01

Highlights: ► Brazing of MoSi 2 –MoSi 2 using Ag–Cu–Zr interlayer at different temperatures. ► Investigation of shear strength and microstructure of the joint by SEM and XRD. ► Formation of Ag-rich solid solution and various Cu–Zr–Si intermetallic compounds. ► Maximum shear strength for the sample with 830 °C brazing temperature. ► Various fracture path and morphology at different brazing temperatures. - Abstract: The present work investigates joining of two MoSi 2 parts through Cusil/Zr/Cusil interlayer with Cusil being a commercial eutectic of Cu–Ag alloy. The joining operation was implemented in an inert gas tube furnace by brazing. The brazing temperature ranged from 800 to 930 °C while the operation lasted for 60 min. Evaluation of joints strength through shear loading identified the maximum strength 60.31 MPa for the brazed sample at 830 °C. Interfacial microstructure was studied by Scanning Electron Microscopy (SEM), Energy Dispersive Spectroscopy (EDS) and X-ray Diffraction (XRD) techniques. Applying the temperature of 830 °C was led to a uniform dense joint consisting of various phases with excellent bonding within the interfaces. XRD and EDS results revealed different phases such as Mo 5 Si 3 , Ag-rich solid solution and Cu 10 Zr 7 at the interface. At higher brazing temperatures the amount of intemetallic compounds and residual stresses increased and therefore, mechanical properties of the joint degraded. The fracture analysis by SEM revealed various fracture path and morphology for different brazing temperatures

Study of Si-N amorphous compounds combining XPS (X photoemission) and EELS (electron energy loss spectra) optical measurements. Internal levels photoemission. Pt. 2

International Nuclear Information System (INIS)

Guraya, M.M.; Acolani, H.; Zampieri, G.E.; Silva, J.H. Dias da; Cisneros, J.I.; Cantao, M.; Marques, F.C.

1990-01-01

A Si-N non-stoichiometric hydrogenated amorphous compounds study with different N- contents is presented. The shape and shifts of the photoemission peaks corresponding to the N - 1s and Si - 2p internal levels are analyzed. Based on the latter, the homogeneity of the samples and the Si - N bonds charge transfer is discussed. (Author) [es

Magnetic relaxation behaviour in Pr_2NiSi_3

International Nuclear Information System (INIS)

Pakhira, Santanu; Mazumdar, Chandan; Ranganathan, R.

2016-01-01

Time dependent isothemal remanent magnetizatin (IRM) behaviour for polycrystalline compound Pr_2NiSi_3 have been studied below its characteristic temperature. The compound undergoes slow magnetic relaxation with time. Along with competing interaction, non-magnetic atom disorder plays an important role in formation of non-equilibrium glassy like ground state for this compound.

Electronic states at Si-SiO2 interface introduced by implantation of Si in thermal SiO2

International Nuclear Information System (INIS)

Kalnitsky, A.; Poindexter, E.H.; Caplan, P.J.

1990-01-01

Interface traps due to excess Si introduced into the Si-SiO 2 system by ion implantation are investigated. Implanted oxides are shown to have interface traps at or slightly above the Si conduction band edge with densities proportional to the density of off-stoichiometric Si at the Si-SiO 2 interface. Diluted oxygen annealing is shown to result in physical separation of interface traps and equilibrium substrate electrons, demonstrating that ''interface'' states are located within a 0.5 nm thick layer of SiO 2 . Possible charge trapping mechanisms are discussed and the effect of these traps on MOS transistor characteristics is described using a sheet charge model. (author)

Using compound SiO{sub 2}(62-68)-MgO+CaO(29-39) in the protections of ceramics of steel company to replace the CaO-Al{sub 2}O{sub 3}-SiO{sub 2} compound; Utilizacao do composto SiO{sub 2}(62-68)-MgO+CaO(29-39) nas protecoes ceramicas de empresa siderurgica em substituicao ao composto CaO-Al{sub 2}O{sub 3}-SiO{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Nogueira, Anderson Carvalho; Silva, Paula Cipriano da; Vernilli Junior, Fernando; Santos, Claudinei dos; Magnago, Roberto de Oliveira [Centro Universitario de Volta Redonda (UNIFOA), Volta Redonda, RJ (Brazil); Lima, Leonardo Moreira de [Universidade de Sao Paulo (USP), Lorena, SP (Brazil)

2014-12-15

This article describes the use of protective ceramic composed of SiO{sub 2}(62-68)-MgO + CaO(29-39) in the frontal region of the machines that inject mass refractory to stop racing pig iron and slag liquid in blast furnaces. The new protection model (prototype) showed a annual saving of approximately R$ 32,000.00 compared to the compound previously used CaO-Al{sub 2}O{sub 3}-SiO{sub 2}. Also had a lower toxicity, as it has in its morphology least amount of fiber. These fibers when inhaled cause damage to internal tissues of the lungs is harmful to health. There maintenance rates of production, since in all samples tested the new ceramic protection, the front part was preserved allowing the refractory mass injection quantity and pressure required for reconstitution of the length of the bore which removes iron and slag inside the high oven, allowing for a larger internal volume to produce more. The protection models were produced by Morganite-Brazil. The morphology and crystallographic characterization were characterized by Scanning Electron Microscopy and X-ray diffraction, respectively. (author)

More accurate definition of liquation dome in Na2O-B2O3-SiO2 system

International Nuclear Information System (INIS)

Alekseeva, Z.D.; Mazurin, O.V.; Aver'yanov, V.I.; Galakhov, F.Ya.

1977-01-01

The liquation region in the system Na 2 O-B 2 O 3 -SiO 2 was investigated. The liquation temperatures were determined by the boundary of disappearance of opalescence in specimens with pre-induced opalescence. Extrapolation of the concentration dependences of the liquation temperature along sections with a constant SiO 2 content to a point indicates that with a SiO 2 content of 20-40% the liquation boundary in the system B 2 O 3 -SiO 2 hardly lies above 450 deg C

Adsorption of cationic dye on a biohybrid SiO2-alginate

International Nuclear Information System (INIS)

Barrón Zambrano, J A; Ávila Ortega, A; Muñoz Rodríguez, D; Carrera Figueiras, C; López-Pérez, A J

2013-01-01

In this work, a biohybrid material based on SiO 2 -alginate was obtained and its properties of adsorption evaluated using methylene blue as a model dye. The experimental results showed that the biohybrid SiO 2 -alginate has a higher adsorption ability compared to their base compounds (SiO 2 and alginate). Methylene blue adsorption is pH dependent, resulting in a maximum adsorption at pH = 8. The sorption kinetics rate is similar to SiO 2 . Kinetic data were fitted to a model of pseudosecond order. The experimental isotherms fit well the Langmuir model.

observed by high pressure NMR and NQR

Indian Academy of Sciences (India)

Akogun, Hyogo 678-1297, Japan. ∗. Email: kohara@sci.himeji tech.ac.jp. Abstract. NMR and NQR studies on two interesting systems (URu2Si2, CeTIn5) were performed under high pressure. (1) URu2Si2: In the pressure range 3.0 to 8.3 kbar, we have observed new 29Si. NMR signals arising from the antiferromagnetic ...

Order parameter in CeCu{sub 2}Si{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Vieyra, Hugo A.; Brando, Manuel; Oeschler, Niels; Seiro, Silvia; Geibel, Christoph; Steglich, Frank [Max-Planck-Institute for Chemical Physics of Solids, Dresden (Germany); Jeevan, Hirale S. [I. Physikalisches Institut, Georg-August-Universitaet Goettingen (Germany); Parker, David [US Naval Research Laboratory, Washington, DC (United States)

2011-07-01

Understanding the interplay between magnetism and unconventional superconductivity remains a key challenge in solid-state physics. A clear example is the archetypical heavy-fermion compound CeCu{sub 2}Si{sub 2} which exhibits superconductivity (T{sub c}=600 mK) in the vicinity of a magnetic quantum critical point. It is believed that magnetic fluctuations mediate superconductivity and its order parameter possesses d-wave symmetry, both ideas still under debate. In this work, a high-quality single crystal with a purely superconducting ground state (S type) has been chosen to investigate the low-temperature thermal- and electric-transport characteristics of the superconducting state. Non-vanishing contributions of low-energy quasiparticle excitations to the thermal transport ({kappa}{sub 0}/T>0) suggest the presence of nodal structure in CeCu{sub 2}Si{sub 2}. In turn, angle-dependent resistivity measurements of the upper critical field H{sub c2} point towards unconventional superconductivity with d-wave symmetry of the order parameter. Theoretical calculations reveal the strong influence of Pauli paramagnetic effects and a d{sub xy} symmetry of the gap function.

Angular dependence of sputtering yield of TiSi sub 2 layers and analysis of titanium disilicide by SIMS and SCANIIR methods

Energy Technology Data Exchange (ETDEWEB)

Antonov, S L; Valiev, K A; Vasiliev, A G; Orlikovsky, A A [AN SSSR, Moscow (USSR). Inst. of Physics and Technology

1989-11-01

The values of sputtering yields of TiSi{sub 2}, Ti and Si layers are determined for Ar{sup +} (8 keV) bombardment at angles 0-80{sup 0}. It is shown that the theoretical functions that we have suggested for TiSi{sub 2} sputtering yields from angular Ar{sup +} bombardment, which are based on models of bicomponent compounds sputtering under normal ion bombardment, are in good agreement with the experimental curve for TiSi{sub 2}. The calibration curves for the determination of TiSi{sub x} layer compositions by SIMS and SCANIIR methods (in dynamic regime) are presented. It is shown with the help of the static SIMS method (E{sub AR+} = 3 keV) that not only can the TiSi{sub x} composition be determined but the TiSi{sub 2} crystal phase can also be identified. (author).

Magnetic properties of Pr1-xGdxMn2Ge2 compounds

International Nuclear Information System (INIS)

Kilic, A.; Kervan, S.; Oezcan, S.; Gencer, A.

2004-01-01

The structure and magnetic properties of the Pr 1-x Gd x Mn 2 Ge 2 (0.0≤x≤1.0) compounds have been investigated by means of X-ray diffraction (XRD), differential scanning calorimetry (DSC) techniques and AC magnetic susceptibility measurements. All compounds crystallize in the ThCr 2 Si 2 -type structure with the space group I4/mmm. The lattice constants and the unit cell volume obey Vegard's law. Samples in this alloy system exhibit a crossover from ferromagnetic ordering for PrMn 2 Ge 2 to antiferromagnetic ordering for GdMn 2 Ge 2 as a function of Gd concentration x. At low temperatures, the rare earth sublattice also orders and reconfigures the ordering in the Mn sublattice. The results are summarized in the x-T magnetic phase diagram

Corrosion Behavior of Ni3(Si,Ti + 2Mo in Hydrochloric Acid Solution

Directory of Open Access Journals (Sweden)

Gadang Priyotomo

2013-10-01

Full Text Available The corrosion behavior of Ni3(Si,Ti + 2Mo intermetallic compound (L12 and (L12 + Niss mixture region has been investigated using an immersion test, polarization method and surface analytical method (scanning electron microscope and energy-dispersive X-Ray spectrometry in 0.5 kmol/m3 hydrochloric acid (HCl solution at 303 K.  In addition, the results obtained were compared to those of the L12 single-phase Ni3(Si,Ti intermetallic compound and C 276 alloy.  It was found that Ni3(Si,Ti + 2Mo had the preferential dissolution of L12 with a lower Mo concentration compared to (L12 + Niss mixture region.  From the immersion test and polarization curves, Ni3(Si,Ti + 2Mo and C276 showed the lowest corrosion resistance and the highest corrosion resistance in the solution, respectively.  From this work, It implied that unlike C276, Ni3(Si,Ti +2Mo intermetallic compound was difficult to form a stable passive film in HCl solution as well as Ni3(Si,Ti in the same solution.

(Sr,Ba)(Si,Ge)2 for thin-film solar-cell applications: First-principles study

International Nuclear Information System (INIS)

Kumar, Mukesh; Umezawa, Naoto; Imai, Motoharu

2014-01-01

In order to meet the increasing demand for electric power generation from solar energy conversion, the development of efficient light absorber materials has been awaited. To this end, the electronic and optical properties of advanced alkaline-earth-metals disilicides and digermanides (SrSi 2 , BaSi 2 , SrGe 2 , and BaGe 2 ) are studied by means of the density functional theory using HSE06 exchange-correlation energy functional. Our calculations show that all these orthorhombic structured compounds have fundamental indirect band gaps in the range E g ≈ 0.89–1.25 eV, which is suitable for solar cell applications. The estimated lattice parameters and band gaps are in good agreement with experiments. Our calculations show that the electronic band structures of all four compounds are very similar except in the vicinity of the Γ-point. The valence band of these compounds is made up by Si(Ge)-p states, whereas the conduction band is composed of Sr(Ba)-d states. Their band alignments are carefully determined by estimating the work function of each compound using slab model. The optical properties are discussed in terms of the complex dielectric function ε(ω) = ε 1 (ω) + iε 2 (ω). The static and high-frequency dielectric constants are calculated, taking into account the ionic contribution. The absorption coefficient α(ω) demonstrates that a low energy dispersion of the conduction band, which results in a flat conduction band minimum, leads to large optical activity in these compounds. Therefore, alkaline-earth-metals disilicides and digermanides possess great potential as light absorbers for applications in thin-film solar cell technologies.

SiO2@FeSO4 nano composite: A recoverable nano-catalyst for eco-friendly synthesis oximes of carbonyl compounds

Directory of Open Access Journals (Sweden)

Mostafa Karimkoshteh

2016-01-01

Full Text Available Various aldoximes and ketoximes synthesis of corresponding aldehydes and ketones in the presence of SiO2@FeSO4 nano composite as recoverable nano catalyst and NH2OH·HCl. The SiO2@FeSO4 nano composite system was carried out between 10 to 15 min in oil bath (70-80 °C under solvent-free condition in excellent yields in addition this protocol can be used for industrial scales. This method offers some advantages in term of clean reaction conditions, easy work-up procedure, short reaction time, applied to convert α-diketones to α-diketoximes (as longer than other carbonyl compounds, α,β-unsaturated aldehydes and ketones to corresponding oximes and suppression of any side product. So we think that NH2OH•HCl/SiO2@FeSO4 nano composite system could be considered a new and useful addition to the present methodologies in this area. Structure of products and nano composite elucidation was carried out by 1H NMR, 13C NMR, FT-IR, scanning electron microscopy (SEM.

Phase relations in the SiC-Al2O3-Pr2O3 system

International Nuclear Information System (INIS)

Pan, W.; Wu, L.; Jiang, Y.; Huang, Z.

2016-01-01

Phase relations in the Si-Al-Pr-O-C system, including the SiC-Al 2 O 3 -Pr 2 O 3 , the Al 2 O 3 -Pr 2 O 3 -SiO 2 and the SiC-Al 2 O 3 -Pr 2 O 3 -SiO 2 subsystems, were determined by means of XRD phase analysis of solid-state-reacted samples fabricated by using SiC, Al 2 O 3 , Pr 2 O 3 and SiO 2 powders as the starting materials. Subsolidus phase diagrams of the systems were presented. Two Pr-aluminates, namely PrAlO 3 (PrAP) and PrAl 11 O 18 (β(Pr) β-Al 2 O 3 type) were formed in the SiC-Al 2 O 3 -Pr 2 O 3 system. SiC was compatible with both of them. Pr-silicates of Pr 2 SiO 5 , Pr 2 Si 2 O 7 and Pr 9.33 Si 6 O 26 (H(Pr) apatite type) were formed owing to presence of SiO 2 impurity in the SiC powder. The presence of the SiO 2 extended the ternary system of SiC-Al 2 O 3 -Pr 2 O 3 into a quaternary system of SiC-Al 2 O 3 -SiO 2 -Pr 2 O 3 (Si-Al-Pr-O-C). SiC was compatible with Al 2 O 3 , Pr 2 O 3 and the Pr-silicates. The effect of SiO 2 on the phase relations and liquid phase sintering of SiC ceramics was discussed.

NMR study of (Y1-xLax) Mn2X2 (X = Ge, Si) compounds

International Nuclear Information System (INIS)

Ichinose, K.; Nagai, H.; Tsujimura, A.; Oyasato, M.

1988-01-01

Nuclear magnetic resonances of 55 Mn and 139 La nuclei in (Y 1-x La x ) Mn 2 X 2 (X = Ge, Si) have been observed at 4.2 K in their ferromagnetic state for 0.3 ≤ x ≤ 1. The hyperfine fields at these nuclei are independent of La concentration. This result shows that Mn moment is almost constant when replacing Y with La

Structural and optical properties of Er{sup 3+} doped SiO{sub 2}–Al{sub 2}O{sub 3}–GeO{sub 2} compounds prepared by a simple route

Energy Technology Data Exchange (ETDEWEB)

Filho, Fausto M. Faria [Instituto de Física, Universidade Federal de Goiás-UFG, Campus II, Caixa Postal 131, CEP 74001-970 Goiânia, GO (Brazil); Gonçalves, Rogéria R. [Departamento de Química, Faculdade de Filosofia, Ciências e Letras de Ribeirão Preto, Universidade de São Paulo-USP, Av. Bandeirantes, 3900, CEP 14040-901 Ribeirão Preto, SP (Brazil); Ribeiro, Sidney J.L. [Institute of Chemistry, São Paulo State University-UNESP, Rua Professor Francisco Degni, 55, CEP 14801-970 Araraquara, SP (Brazil); Maia, Lauro J.Q., E-mail: lauro@ufg.br [Instituto de Física, Universidade Federal de Goiás-UFG, Campus II, Caixa Postal 131, CEP 74001-970 Goiânia, GO (Brazil)

2015-04-15

Highlights: • We developed a simple route to obtain gels and powders using GeO{sub 2}, TEOS and TMAH solution. • Al{sub 6}Ge{sub 2}O{sub 13} crystalline nanoparticles embedded in amorphous matrix were obtained. • The Al{sub 2}O{sub 3} enhance Er{sup 3+} dispersion in GeO{sub 2}–SiO{sub 2} increasing its emission and the full width at half maximum from 41 to 56 nm. • The {sup 4}I{sub 13/2} Er{sup 3+} level lifetime varies between 4.8 and 5.6 ms (1533 nm emission). - Abstract: Samples of (1 − x)[0.70SiO{sub 2} + 0.30Al{sub 2}O{sub 3}] + xGeO{sub 2} compositions, containing x = 0.05, 0.10, 0.20, 0.30, 0.40 and 0.50, and doped with 1 mol% of Er{sup 3+}, were prepared by a mixed route (sol–gel process and Pechini method). Transparent gels were synthesized and homogeneous powders were obtained by heat treatments from 800 °C to 1050 °C. The final powders were characterized by X-ray diffraction, Fourier transform infrared spectroscopy and high-resolution transmission electron microscopy. The optical properties were studied by photoluminescence measurements in the infrared region, and the average lifetime of the metastable state {sup 4}I{sub 13/2} of Er{sup 3+} ions and the full-width at half maximum (FWHM) were determined. A silica-rich amorphous phase and nanocrystallites with orthorhombic structure of Al{sub 6}Ge{sub 2}O{sub 13} phase were obtained. The samples present a broad emission centered at around 1532 nm under excitation at 977 nm, with a FWHM of 53 nm and a lifetime of 5.6 ms. The synthesized compounds by an easy chemical procedure are potentially applicable in integrated optical systems.

Single-crystal X-ray diffraction study of Cs{sub 2}Er[Si{sub 6}O{sub 14}]F and Cs{sub 2}Er[Si{sub 4}O{sub 10}]F

Energy Technology Data Exchange (ETDEWEB)

Dabic, Predrag; Kremenovic, Aleksandar; Vulic, Predag [Belgrade Univ. (Serbia). Lab. of Crystallography; Kahlenberg, Volker; Schmidmair, Daniela [Innsbruck Univ. (Austria). Inst. of Mineralogy and Petrography

2016-07-01

Single-crystal growth experiments in the system CsF-Er{sub 2}O{sub 3}-SiO{sub 2} resulted in the simultaneous crystallization of two chemically related compounds within the same run: Cs{sub 2}Er[Si{sub 6}O{sub 14}]F (phase I) and Cs{sub 2}Er[Si{sub 4}O{sub 10}]F (phase II). They represent the first examples for cesium erbium silicates containing fluorine. Basic crystallographic data are - phase I: space group Cmca, a=17.2556(6) Aa, b=24.6565(7) Aa, c=14.4735(5) Aa, V=6157.9(3) Aa{sup 3}, Z=16; phase II: space group Pnma, a=22.3748(7) Aa, b=8.8390(2) Aa, c=11.9710(4) Aa, V=2367.5(1) Aa{sup 3}, Z=8. The structures were determined by direct methods and refined to residuals of R(vertical stroke F vertical stroke)=0.0229 for 2920 (phase I) and 0.0231 for 2314 (phase II) independent observed reflections with I>2σ(I). The structure of phase I represents a previously unknown structure type with a three dimensional tetrahedral framework consisting of Q{sup 3} and Q{sup 4} groups in the ratio 2:1. Basic building units of the network are unbranched sechser single-chains running parallel to [001]. The network can be conveniently built up from the condensation of tetrahedral layers parallel to (010) or (100), respectively. The crystal structure of phase II can be classified as a tubular or columnar chain silicate indicating that the backbones of the structure are multiple chains of silicate tetrahedra. This structure is isotypic to a Cs{sub 2}Y[Si{sub 4}O{sub 10}]F, a compound that has been characterized previously. Alternatively, both compounds can be described as mixed octahedral-tetrahedral frameworks, which can be classified according to their polyhedral microensembles. A topological analysis of both nets is presented.

Solid-state compound phase formation of TiSi₂ thin films under stress

Directory of Open Access Journals (Sweden)

C. Theron

2010-02-01

Full Text Available Different stress situations were created on an Si(100 wafer by depositing either Si₃N₄ or SiO₂ thin films on the back side. Si₃N₄ has a different thermal expansion coefficient from that of SiO2. A thin Ti film was then deposited on the front side of the Si wafer. The structures were then annealed at various high temperatures for different periods of time. Real-time Rutherford backscattering spectrometry, as well as sample curvature measurements, were used to characterise the samples. Different reaction rates were found between Si₃N₄-deposited samples and SiO₂-deposited samples.

Pitting Corrosion of Ni3(Si,Ti+2Cr Intermetallic Compound at Various Chloride Concentrations

Directory of Open Access Journals (Sweden)

Gadang Priyotomo

2014-05-01

Full Text Available The pitting corrosion of Ni3(Si,Ti with 2 at% Cr containing two regions of a Ni3(Si,Ti single-phase of L12 structure and a mixture phase of of (L12 +Niss was investigated as function of chloride concentrations by using a polarization method, scanning electron microscope and energy dispersive X-Ray spectroscopy in neutral sodium chloride solutions at 293 K.  The pitting corrosion of Ni3(Si,Ti with and without the addition of aluminium and type C276 alloy were also studied under the same experimental condition for the comparison.  The pitting potential obtained for the Ni3(Si,Ti with 2 at% Cr decreased with increasing chloride concentration.  The specific pitting potentials and the pitting potentials were decreased in the order of C276 alloy > Ni3(Si,Ti > Ni3(Si,Ti + 2Cr > Ni3(Si,Ti + 4Al, which means that the pitting corrosion resistance of Ni3(Si,Ti with 2 at% Cr was higher than Ni3(Si,Ti with 4 at% Al, but lower than that of Ni3(Si,Ti.  A critical chloride concentration of Ni3(Si,Ti with 2 at% Cr was found to be higher than that of Ni3(Si,Ti with at% Al. In addition, the presence of high concentration for oxygen indicates the occurrence of pit formation.

Ternary silicides ScIr{sub 4}Si{sub 2} and RERh{sub 4}Si{sub 2} (RE = Sc, Y, Tb-Lu) and quaternary derivatives RERh{sub 4}Si{sub 2-x}Sn{sub x} (RE = Y, Nd, Sm, Gd-Lu) - structure, chemical bonding, and solid state NMR spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Vosswinkel, Daniel; Benndorf, Christopher; Poettgen, Rainer [Muenster Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie; Eckert, Hellmut [Muenster Univ. (Germany). Inst. fuer Physikalische Chemie; Sao Paulo Univ., Sao Carlos (Brazil). Inst. of Physics; Matar, Samir F. [Bordeaux Univ., CNRS, ICMCB, UPR 9048, Pessac (France)

2016-11-01

The silicides ScIr{sub 4}Si{sub 2} and RERh{sub 4}Si{sub 2} (RE = Sc, Y, Tb-Lu) and silicide stannides RERh{sub 4}Si{sub 2-x}Sn{sub x}(RE = Y, Nd, Sm, Gd-Lu) were synthesized from the elements by arc-melting and subsequent annealing. The new compounds crystallize with the orthorhombic YRh{sub 4}Ge{sub 2} type structure, space group Pnma. They were characterized by X-ray powder patterns and several structures were refined from single crystal X-ray diffractometer data. The main structural motifs of this series of silicides are tricapped trigonal prisms formed by the transition metal and rare earth atoms. One of the two crystallographically independent silicon sites allows for formation of solid solutions with tin, exemplarily studied for ErRh{sub 4}Si{sub 2-x}Sn{sub x}. Electronic structure calculations reveal strong covalent Rh-Si bonding as the main stability factor. Multinuclear ({sup 29}Si, {sup 45}Sc, and {sup 89}Y) magic-angle spinning (MAS) NMR spectra of the structure representatives with diamagnetic rare-earth elements (Sc, Y, Lu) are found to be consistent with the crystallographic data and specifically confirm the selective substitution of Sn in the Si2 sites in the quaternary compounds YRh{sub 4}SiSn and LuRh{sub 4}SiSn.

PEALD grown high-k ZrO{sub 2} thin films on SiC group IV compound semiconductor

Energy Technology Data Exchange (ETDEWEB)

Khairnar, A. G., E-mail: agkhairnar@gmail.com; Patil, V. S.; Agrawal, K. S.; Salunke, R. S.; Mahajan, A. M., E-mail: ammahajan@nmu.ac.in [North Maharashtra University, Department of Electronics, School of Physical Sciences (India)

2017-01-15

The study of ZrO{sub 2} thin films on SiC group IV compound semiconductor has been studied as a high mobility substrates. The ZrO{sub 2} thin films were deposited using the Plasma Enhanced Atomic Layer Deposition System. The thickness of the thin films were measured using ellipsometer and found to be 5.47 nm. The deposited ZrO{sub 2} thin films were post deposition annealed in rapid thermal annealing chamber at temperature of 400°Ð¡. The atomic force microscopy and X-гау photoelectron spectroscopy has been carried out to study the surface topography, roughness and chemical composition of thin film, respectively.

New compounds bearing [M(S_2O_7)_3]"2"- anions (M = Si, Ge, Sn): Syntheses and characterization of A_2[Si(S_2O_7)_3] (A = Na, K, Rb), A_2[Ge(S_2O_7)_3] (A = Li, Na, K, Rb, Cs), A_2[Sn(S_2O_7)_3] (A = Na, K), and the unique germanate Hg_2[Ge(S_2O_7)_3]Cl_2 with cationic "1_∞[HgCl_2_/_2]"+ chains

International Nuclear Information System (INIS)

Logemann, Christian; Witt, Julia; Wickleder, Mathias S.; Gunzelmann, Daniel; Senker, Juergen

2012-01-01

The reaction of the group 14 tetrachlorides MCl_4 (M = Si, Ge, Sn) with oleum (65 % SO_3) at elevated temperatures led to the unique anionic complexes [M(S_2O_7)_3]"2"- that show the central M atoms in coordination of three chelating S_2O_7"2"- groups. The mean distances M-O within the complexes increase from 175 pm (M = Si) via 186 pm (M = Ge) up to 200 pm (M = Sn). The charge balance for the [M(S_2O_7)_3]"2"- anions is achieved by alkaline metal ions A"+ (A = Li, Na, K, Rb, Cs) which were implemented in the syntheses in form of their sulfates. The size of the A"+ ions, i.e. their coordination requirement causes the crystallographic differences in the crystal structures, while the structure of the complex [M(S_2O_7)_3]"2"- anions remains essentially unaffected. Furthermore, we were able to characterize the unique germanate Hg_2[Ge(S_2O_7)_3]Cl_2 which forms when HgCl_2 is added as a source for the counter cation. The Hg"2"+ and the Cl"- ions form infinite cationic chains according to "1_∞[HgCl_2_/_2]"+ which take care for the charge compensation. For selected examples of the compounds the thermal behavior has been monitored by means of thermal analyses and X-ray powder diffraction. For A being an alkaline metal the decomposition product is a mixture of the sulfates A_2SO_4 and the dioxides MO_2, whereas Hg_2[Ge(S_2O_7)_3]Cl_2 shows a more complicated decomposition. The tris-(disulfato)-silicate Na_2[Si(S_2O_7)_3] has additionally been examined by solid state "2"9Si and "2"3Na NMR spectroscopic measurements. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Magnetic ordering in the monoclinic structure of Nd5Si1.45Ge2.55 and Pr5Si1.5Ge2.5 studied by means of neutron powder diffraction

International Nuclear Information System (INIS)

Magen, C; Ritter, C; Morellon, L; Algarabel, P A; Ibarra, M R

2004-01-01

The compounds Nd 5 Si 1.45 Ge 2.55 and Pr 5 Si 1.5 Ge 2.5 have been investigated by means of magnetization measurements and neutron powder diffraction techniques. These alloys present a room-temperature monoclinic Gd 5 Si 2 Ge 2 -type crystallographic structure and, on cooling, both systems order ferromagnetically, at T C = 56 and 32 K, respectively, from a high-temperature paramagnetic to a low-temperature complex canted ferromagnetic state. The monoclinic crystallographic structure remains unchanged upon cooling down to 4 K, demonstrating the existence of a monoclinic ferromagnetic phase, and the possibility of a full decoupling of magnetic and crystallographic degrees of freedom in the 5:4 lanthanide intermetallic compounds

Unusual effects of manual grinding and subsequent annealing process observed in Gd5.09Ge2.03Si1.88 compound

Science.gov (United States)

Carvalho, A. M. G.; Alves, C. S.; Trevizoli, P. V.; dos Santos, A. O.; Gama, S.; Coelho, A. A.

2018-03-01

The Gd5.09Ge2.03Si1.88 compound, as well as other magnetocaloric materials, certainly will not be used in their un-manufactured as-cast condition in future magnetic refrigeration applications or other devices. In this work, we have studied the Gd5.09Ge2.03Si1.88 compound processed in different ways, mainly, the as-cast powder, the annealed powder, and the pressed and sintered powder. The annealed powder (1370 K/20 h) does not present the monoclinic phase and the first-order magneto-structural transition observed in the as-cast powder. The pressed and sintered powder also do not present the first-order transition. Furthermore, the compacting pressure shifts the second-order magnetic transition to lower temperatures. The behavior of cell parameters as a function of the compacting pressure indicates that T C is directly affected by parameter c change.

Electronic structure of LaFe{sub 2}X{sub 2} (X = Si,Ge)

Energy Technology Data Exchange (ETDEWEB)

Hase, I., E-mail: i.hase@aist.go.jp [Electronics and Photonics Research Institute, AIST, Tsukuba, Ibaraki 305-8568 (Japan); Yanagisawa, T. [Electronics and Photonics Research Institute, AIST, Tsukuba, Ibaraki 305-8568 (Japan)

2011-11-15

We have calculated the electronic structure of LaFe{sub 2}Si{sub 2} and LaFe{sub 2}Ge{sub 2} from first-principles. The obtained Fermi surfaces of LaFe{sub 2}Si{sub 2} and LaFe{sub 2}Ge{sub 2} resemble those of LaRu{sub 2}Ge{sub 2}, which well explains the result of the dHvA experiments of CeRu{sub 2}Ge{sub 2}. Their density of states curves show the common feature with CaFe{sub 2}As{sub 2}. D(E{sub F}) strongly depends on the distortion of the FeX{sub 4} tetrahedra and/or the height of the X atom, as also found in iron-pnictide system. Recently found iron-pnictide superconductor (Ba,K)Fe{sub 2}As{sub 2} and the heavy-fermion superconductor CeCu{sub 2}Si{sub 2} both have the same crystal structure. In this paper we have calculated the electronic structure of LaFe{sub 2}Si{sub 2} and LaFe{sub 2}Ge{sub 2} from first-principles. These compounds also have the same crystal structure and closely related to both of (Ba,K)Fe{sub 2}As{sub 2} and CeRu{sub 2}Ge{sub 2}. The obtained Fermi surfaces of LaFe{sub 2}Si{sub 2} and LaFe{sub 2}Ge{sub 2} resemble those of LaRu{sub 2}Ge{sub 2}, which are already found that they well explain the results of the dHvA experiments of CeRu{sub 2}Ge{sub 2}. Their density of states curves show the common feature with CaFe{sub 2}As{sub 2}. The density of states at the Fermi level strongly depends on the distortion of the FeX{sub 4} tetrahedra and/or the height of the X atom from the two-dimensional Fe plane, as also found in iron-pnictide system. The electronic specific heat coefficient is 11.8 mJ/mol K{sup 2} for LaFe{sub 2}Si{sub 2} and 12.5 mJ/mol K{sup 2} for LaFe{sub 2}Ge{sub 2}, which is about 1/3 and 1/2 of experimental results, respectively.

Hydrodeoxygenation of guaiacol over Ni2P/SiO2–reaction mechanism and catalyst deactivation

NARCIS (Netherlands)

Lan, X.; Hensen, E.J.M.; Weber, T.

2018-01-01

The catalytic hydrodeoxygenation of guaiacol, a phenolic model compound of biomass lignin pyrolysis products, has been investigated under atmospheric pressure in H2 utilizing a Ni2P/SiO2 catalyst. Reaction networks are proposed based on the product distribution as a function of contact time and the

Magnetron-sputter epitaxy of β-FeSi2(220)/Si(111) and β-FeSi2(431)/Si(001) thin films at elevated temperatures

International Nuclear Information System (INIS)

Liu Hongfei; Tan Chengcheh; Chi Dongzhi

2012-01-01

β-FeSi 2 thin films have been grown on Si(111) and Si(001) substrates by magnetron-sputter epitaxy at 700 °C. On Si(111), the growth is consistent with the commonly observed orientation of [001]β-FeSi 2 (220)//[1-10]Si(111) having three variants, in-plane rotated 120° with respect to one another. However, on Si(001), under the same growth conditions, the growth is dominated by [-111]β-FeSi 2 (431)//[110]Si(001) with four variants, which is hitherto unknown for growing β-FeSi 2 . Photoelectron spectra reveal negligible differences in the valance-band and Fe2p core-level between β-FeSi 2 grown on Si(111) and Si(001) but an apparent increased Si-oxidization on the surface of β-FeSi 2 /Si(001). This phenomenon is discussed and attributed to the Si-surface termination effect, which also suggests that the Si/Fe ratio on the surface of β-FeSi 2 (431)/Si(001) is larger than that on the surface of β-FeSi 2 (220)/Si(111).

Direct measurement of the magnetocaloric effect in Tb5Si2Ge2

International Nuclear Information System (INIS)

Tocado, L.; Palacios, E.; Burriel, R.

2005-01-01

A method for measuring the adiabatic temperature change ΔT S upon quasi-static application of an external magnetic field H is proposed. ΔT S is directly measured with an accuracy better than 0.01K. Results of experiments on the giant magnetocaloric compound Tb 5 Si 2 Ge 2 are compared with those obtained from magnetization and heat capacity in an applied field

Routes for synthesis and characterization of the Lu{sub 1-x}Ca{sub x}Cu{sub 2}Si{sub 2} series

Energy Technology Data Exchange (ETDEWEB)

Radaelli, Matheus; Piva, Mario Moda; Christovam, Denise S.; Ribeiro, Ana L.A.; Pagliuso, Pascoal G., E-mail: goiba@ifi.unicamp.br [Universidade Estadual de Campinas (UNICAMP), SP (Brazil)

2016-07-01

Full text: New materials design always plays an important role in condensed matter physics. When CeCu{sub 2} Si{sub 2} was discovered,a new front in the field of superconductivity on strongly correlated materials started and led to the discovery of many classes of related materials. In such materials, the interplay between magnetism (affected by the hybridization strength between local f electrons and conduction electrons) and heavy-fermion superconductivity is still a matter of controversy and intense studies. Based on these materials, one can explore the structural and stoichiometric similarities among the several classes of related compounds to develop routes for new materials design of novel heavy fermion superconductors.The non-magnetic reference compound LuCu{sub 2}Si{sub 2} crystallizes in a ThCr{sub 2}Si{sub 2}-type structure (I4/mmm) and presents a metallic-like temperature dependent resistivity [2]. As such, it can be used as a based compound to search for 3d-based magnetic analogs of CeCu{sub 2}Si{sub 2}. In this work, we have performed Lu-site substitutions (Ba,Sr,Ca) in order to tune the orbital differentiation of the Cu 3d bands and potentially induce magnetism. We will discuss experiments of x-ray powder diffraction, elemental analysis (EDS, WDS), resistivity and DC magnetic susceptibility on single crystals Lu{sub 1-x}Ca{sub x}Cu{sub 2}Si{sub 2} (X{sub nominal} = 0, 0.3 and 0.5) grown from Tin-flux and evaluate the efficiency of different kinds of dopant to induce magnetism. (author)

Effect of Si/Ge ratio on resistivity and thermopower in Gd{sub 5}Si{sub x}Ge{sub 4-x} magnetocaloric compounds

Energy Technology Data Exchange (ETDEWEB)

Raj Kumar, D.M. [Defence Metallurgical Research Laboratory, Kanchanbagh, Hyderabad 500058 (India); Manivel Raja, M., E-mail: mraja@dmrl.drdo.i [Defence Metallurgical Research Laboratory, Kanchanbagh, Hyderabad 500058 (India); Prabahar, K.; Chandrasekaran, V. [Defence Metallurgical Research Laboratory, Kanchanbagh, Hyderabad 500058 (India); Poddar, Asok; Ranganathan, R. [Saha Institute of Nuclear Physics, Kolkata 700064 (India); Suresh, K.G. [Indian Institute of Technology Bombay, Mumbai 400076 (India)

2011-07-15

The effect of Si/Ge ratio on resistivity and thermopower behavior has been investigated in the magnetocaloric ferromagnetic Gd{sub 5}Si{sub x}Ge{sub 4-x} compounds with x=1.7-2.3. Microstructural studies reveal the presence of Gd{sub 5}(Si,Ge){sub 4}-matrix phase (5:4-type) along with traces of secondary phases (5:5 or 5:3-type). The x=1.7 and 2.0 samples display the presence of a first order structural transition from orthorhombic to monoclinic phase followed by a magnetic transition of the monoclinic phase. The alloys with x=2.2 and 2.3 display only magnetic transitions of the orthorhombic phase. A low temperature feature apparent in the AC susceptibility and resistivity data below 100 K reflects an antiferromagnetic transition of secondary phase(s) present in these compounds. The resistivity behavior study correlates with microstructural studies. A large change in thermopower of -8 {mu}V/K was obtained at the magneto-structural transition for the x=2 compound. - Research highlights: Effect of Si/Ge ratio on microstructure, magneto-structural transitions, resistivity ({rho}) and thermopower S(T) behaviour has been investigated in Gd{sub 5}Si{sub x}Ge{sub 4-x} compounds with x=1.7, 2.0, 2.2 and 2.3. Microstructural studies reveal the presence of a Gd{sub 5}(Si,Ge){sub 4} -matrix phase (5:4-type) along with traces of secondary phases (5:5 or 5:3-type). The resistivity behaviour has shown good correlation with the microstructural studies. A large change in thermopower of -8{mu}V/K was obtained at the magneto-structural transition for the x=2 compound. The resistivity and change in thermopower values were high for the alloys with Si/Ge ratio {<=}1 compared to that of the alloys with Si/Ge ratio >1.

Electronic structures and Eu3+ photoluminescence behaviors in Y2Si2O7 and La2Si2O7

International Nuclear Information System (INIS)

Zhang Zhiya; Wang Yuhua; Zhang Feng; Cao Haining

2011-01-01

Research highlights: → Host excitation near the band gap of Y 2 Si 2 O 7 and La 2 Si 2 O 7 is analyzed. → The calculated result well explains Eu 3+ PL behaviors in Y 2 Si 2 O 7 and La 2 Si 2 O 7 . → The electronic structure and Eu 3+ VUV PL in La 2 Si 2 O 7 are first estimated. - Abstract: The electronic structures and linear optical properties of Y 2 Si 2 O 7 (YSO) and La 2 Si 2 O 7 (LSO) are calculated by LDA method based on the theory of DFT. Both YSO and LSO are direct-gap materials with the direct band gap of 5.89 and 6.06 eV, respectively. The calculated total and partial density of states indicate that in both YSO and LSO the valence band (VB) is mainly constructed from O 2p and the conduction band (CB) is mostly formed from Y 4d or La 5d. Both the calculated VB and CB of YSO exhibit relatively wider dispersion than that of LSO. In addition, the CB of YSO presents more electronic states. Meanwhile, the VB of LSO shows narrower energy distribution with higher electronic states density. The theoretical absorption of YSO shows larger bandwidth and higher intensity than that of LSO. The results are compared with the experimental host excitations and impurity photoluminescence in Eu 3+ -doped YSO and LSO.

Ground state properties and thermoelectric behavior of Ru{sub 2}VZ (Z=Si, ge, sn) half-metallic ferromagnetic full-Heusler compounds

Energy Technology Data Exchange (ETDEWEB)

Yalcin, Battal Gazi

2016-06-15

The ground state properties namely structural, mechanical, electronic and magnetic properties and thermoelectric behavior of Ru{sub 2}VZ (Z=Si, Ge and Sn) half-metallic ferromagnetic full-Heusler compounds are systematically investigated. These compounds are ferromagnetic and crystallize in the Heusler type L2{sub 1} structure (prototype: Cu{sub 2}MnAl, Fm-3m 225). This result is confirmed for Ru{sub 2}VSi and Ru{sub 2}VSn by experimental work reported by Yin and Nash using high temperature direct reaction calorimetry. The studied materials are half-metallic ferromagnets with a narrow direct band gap in the minority spin channel that amounts to 31 meV, 66 meV and 14 meV for Ru{sub 2}VSi, Ru{sub 2}VGe, and Ru{sub 2}VSn, respectively. The total spin magnetic moment (M{sub tot}) of the considered compounds satisfies a Slater–Pauling type rule for localized magnetic moment systems (M{sub tot}=(N{sub V}−24)µ{sub B}), where N{sub V}=25 is the number of valence electrons in the primitive cell. The Curie temperature within the random phase approximation (RPA) is found to be 23 K, 126 K and 447 K for Ru{sub 2}VSi, Ru{sub 2}VGe and Ru{sub 2}VSn, respectively. Semi-classical Boltzmann transport theories have been used to obtain thermoelectric constants, such as Seebeck coefficient (S), electrical (σ/τ) and thermal conductivity (κ/τ), power factor (PF) and the Pauli magnetic susceptibility (χ). ZT{sub MAX} values of 0.016 (350 K), 0.033 (380 K) and 0.063 (315 K) are achieved for Ru{sub 2}VSi, Ru{sub 2}VGe and Ru{sub 2}VSn, respectively. It is expected that the obtained results might be a trigger in future experimentally interest in this type of full-Heusler compounds. - Graphical abstract: Temperature dependence of figure of merit for Ru{sub 2}VZ (Z=Si, Ge, and Sn) compounds. - Highlights: • The ground state and thermoelectric properties are reported for the first time. • Ru{sub 2}VZ are found to be a half-metallic ferromagnetic full Heusler compound. • The

Si nanocrystals embedded in SiO2: Optical studies in the vacuum ultraviolet range

DEFF Research Database (Denmark)

Pankratov, V.; Osinniy, Viktor; Kotlov, A.

2011-01-01

done. It is demonstrated that the experimentally determined blueshift of the photoluminescence excitation and absorption spectra is larger than the theoretical predictions. The influence of point defects in the SiO2 matrix on the optical and luminescence properties of the embedded Si nanocrystals...... is discussed. Moreover, it is demonstrated that no energy transfer takes place between the SiO2 and Si nanocrystals when the excitation energy is higher than the band-to-band transition energy in SiO2....

Electron density distribution and disordered crystal structure of 8H-SiAlON, Si3−xAl1+xOxN5−x (x∼2.2)

International Nuclear Information System (INIS)

Banno, Hiroki; Asaka, Toru; Fukuda, Koichiro

2014-01-01

The 8H-SiAlON crystal with general formula Si 3−x Al 1+x O x N 5−x was characterized using laboratory X-ray powder diffraction (CuKα 1 ), transmission electron microscopy and energy dispersive X-ray spectroscopy. The [Si: Al] molar ratios were determined to be [0.21(1): 0.79(1)], corresponding to x=2.2(1). The Si 0.8(1) Al 3.2(1) O 2.2(1) N 2.8(1) compound is hexagonal with space group P6 3 /mmc (Z=2). The unit-cell dimensions are a=0.298877(8) nm, c=2.30872(5) nm and V=0.178602(8) nm 3 . The initial structural model was successfully derived by the charge-flipping method and further refined by the Rietveld method. The final structural model showed the positional disordering of two of the three (Si,Al) sites. The maximum-entropy method-based pattern fitting (MPF) method was used to confirm the validity of the split-atom model, in which conventional structure bias caused by assuming intensity partitioning was minimized. The reliability indices calculated from the MPF were R wp =4.74%, S (=R wp /R e )=1.30, R p =3.40%, R B =1.04% and R F =0.74%. The disordered crystal structure was successfully described by overlapping four types of domains with ordered atom arrangements. The distribution of atomic positions in each of the domains can be achieved in the space group P6 3 mc. Two of the four types of domains are related by a pseudo-symmetry inversion, and the two remaining domains also have each other the inversion pseudo-symmetry. - Graphical abstract: Bird's eye view of electron densities up to 49.3% (0.071 nm −3 ) of the maximum on the plane parallel to (110) with the corresponding atomic arrangements of Si 0.8 Al 3.2 O 2.2 N 2.8 . - Highlights: • Crystal structure of Si 0.8 Al 3.2 O 2.2 N 2.8 is determined by laboratory X-ray powder diffraction. • The atom arrangements are represented by the split-atom model. • The maximum-entropy method-based pattern fitting method is used to confirm the validity of the model. • The disordered structure is described

Synthesis and fundamental properties of stable Ph(3)SnSiH(3) and Ph(3)SnGeH(3) hydrides: model compounds for the design of Si-Ge-Sn photonic alloys.

Science.gov (United States)

Tice, Jesse B; Chizmeshya, Andrew V G; Groy, Thomas L; Kouvetakis, John

2009-07-06

The compounds Ph(3)SnSiH(3) and Ph(3)SnGeH(3) (Ph = C(6)H(5)) have been synthesized as colorless solids containing Sn-MH(3) (M = Si, Ge) moieties that are stable in air despite the presence of multiple and highly reactive Si-H and Ge-H bonds. These molecules are of interest since they represent potential model compounds for the design of new classes of IR semiconductors in the Si-Ge-Sn system. Their unexpected stability and high solubility also makes them a safe, convenient, and potentially useful delivery source of -SiH(3) and -GeH(3) ligands in molecular synthesis. The structure and composition of both compounds has been determined by chemical analysis and a range of spectroscopic methods including multinuclear NMR. Single crystal X-ray structures were determined and indicated that both compounds condense in a Z = 2 triclinic (P1) space group with lattice parameters (a = 9.7754(4) A, b = 9.8008(4) A, c = 10.4093(5) A, alpha = 73.35(10)(o), beta = 65.39(10)(o), gamma = 73.18(10)(o)) for Ph(3)SnSiH(3) and (a = 9.7927(2) A, b = 9.8005(2) A, c = 10.4224(2) A, alpha = 74.01(3)(o), beta = 65.48(3)(o), gamma = 73.43(3)(o)) for Ph(3)SnGeH(3). First principles density functional theory simulations are used to corroborate the molecular structures of Ph(3)SnSiH(3) and Ph(3)SnGeH(3), gain valuable insight into the relative stability of the two compounds, and provide correlations between the Si-Sn and Ge-Sn bonds in the molecules and those in tetrahedral Si-Ge-Sn solids.

Determination of optimum Si excess concentration in Er-doped Si-rich SiO2 for optical amplification at 1.54 μm

International Nuclear Information System (INIS)

Savchyn, Oleksandr; Coffey, Kevin R.; Kik, Pieter G.

2010-01-01

The presence of indirect Er 3+ excitation in Si-rich SiO 2 is demonstrated for Si-excess concentrations in the range of 2.5-37 at. %. The Si excess concentration providing the highest density of sensitized Er 3+ ions is demonstrated to be relatively insensitive to the presence of Si nanocrystals and is found to be ∼14.5 at. % for samples without Si nanocrystals (annealed at 600 deg. C) and ∼11.5 at. % for samples with Si nanocrystals (annealed at 1100 deg. C). The observed optimum is attributed to an increase in the density of Si-related sensitizers as the Si concentration is increased, with subsequent deactivation and removal of these sensitizers at high Si concentrations. The optimized Si excess concentration is predicted to generate maximum Er-related gain at 1.54 μm in devices based on Er-doped Si-rich SiO 2 .

Total Ionizing Dose Effects of Si Vertical Diffused MOSFET with SiO2 and Si3N4/SiO2 Gate Dielectrics

Directory of Open Access Journals (Sweden)

Jiongjiong Mo

2017-01-01

Full Text Available The total ionizing dose irradiation effects are investigated in Si vertical diffused MOSFETs (VDMOSs with different gate dielectrics including single SiO2 layer and double Si3N4/SiO2 layer. Radiation-induced holes trapping is greater for single SiO2 layer than for double Si3N4/SiO2 layer. Dielectric oxidation temperature dependent TID effects are also studied. Holes trapping induced negative threshold voltage shift is smaller for SiO2 at lower oxidation temperature. Gate bias during irradiation leads to different VTH shift for different gate dielectrics. Single SiO2 layer shows the worst negative VTH at VG=0 V, while double Si3N4/SiO2 shows negative VTH shift at VG=-5 V, positive VTH shift at VG=10 V, and negligible VTH shift at VG=0 V.

Potential energy landscape of an interstitial O2 molecule in a SiO2 film near the SiO2/Si(001) interface

Science.gov (United States)

Ohta, Hiromichi; Watanabe, Takanobu; Ohdomari, Iwao

2008-10-01

Potential energy distribution of interstitial O2 molecule in the vicinity of SiO2/Si(001) interface is investigated by means of classical molecular simulation. A 4-nm-thick SiO2 film model is built by oxidizing a Si(001) substrate, and the potential energy of an O2 molecule is calculated at Cartesian grid points with an interval of 0.05 nm in the SiO2 film region. The result shows that the potential energy of the interstitial site gradually rises with approaching the interface. The potential gradient is localized in the region within about 1 nm from the interface, which coincides with the experimental thickness of the interfacial strained layer. The potential energy is increased by about 0.62 eV at the SiO2/Si interface. The result agrees with a recently proposed kinetic model for dry oxidation of silicon [Phys. Rev. Lett. 96, 196102 (2006)], which argues that the oxidation rate is fully limited by the oxidant diffusion.

Standard enthalpies of formation of selected Rh2YZ Heusler compounds

International Nuclear Information System (INIS)

Yin, Ming; Nash, Philip

2015-01-01

The standard enthalpies of formation (Δ f H°) of selected ternary Rh-based Rh 2 YZ (Y = Cu, Fe, Mn, Ni, Ru, Ti, V; Z = Al, Ga, In, Si, Ge, Sn) compounds were measured using high temperature direct reaction calorimetry. The measured standard enthalpies of formation (in kJ/mol of atoms) are, for the Heusler compound Rh 2 MnSn (−40.1 ± 3.6), for the B2-structured compounds: Rh 2 FeAl (−48.5 ± 2.9); Rh 2 MnAl (−72.4 ± 2.7); Rh 2 MnGa (−55.3 ± 2.0); Rh 2 MnIn (−35.3 ± 1.9), for the tetragonal compounds: Rh 2 FeSn (−28.9 ± 1.3); Rh 2 TiAl (−97.6 ± 2.2); Rh 2 TiGa (−79.0 ± 1.8); Rh 2 TiSn (−74.7 ± 3.1). Values are compared with those from first principles calculations in published papers and the Open Quantum Materials Database (OQMD). Lattice parameters of these compounds are determined using X-ray diffraction analysis (XRD). Microstructures were characterized using scanning electron microscopy (SEM) and Energy Dispersive Spectroscopy (EDS). - Highlights: • Standard enthalpies of formation of Rh 2 YZ were measured using a drop calorimeter. • Measured enthalpies agree with first principles data in general. • Lattice parameters and related phase relationships were consistent with literature data. • Rh 2 TiSn of tI8 structure were reported for the first time.

Nitric acid oxidation of Si (NAOS) method for low temperature fabrication of SiO{sub 2}/Si and SiO{sub 2}/SiC structures

Energy Technology Data Exchange (ETDEWEB)

Kobayashi, H., E-mail: koba771@ybb.ne.jp [Institute of Scientific and Industrial Research, Osaka University, and CREST, Japan Science and Technology Agency, 8-1 Mihogaoka, Ibaraki, Osaka 567-0047 (Japan); Imamura, K.; Kim, W.-B.; Im, S.-S.; Asuha [Institute of Scientific and Industrial Research, Osaka University, and CREST, Japan Science and Technology Agency, 8-1 Mihogaoka, Ibaraki, Osaka 567-0047 (Japan)

2010-07-15

We have developed low temperature formation methods of SiO{sub 2}/Si and SiO{sub 2}/SiC structures by use of nitric acid, i.e., nitric acid oxidation of Si (or SiC) (NAOS) methods. By use of the azeotropic NAOS method (i.e., immersion in 68 wt% HNO{sub 3} aqueous solutions at 120 deg. C), an ultrathin (i.e., 1.3-1.4 nm) SiO{sub 2} layer with a low leakage current density can be formed on Si. The leakage current density can be further decreased by post-metallization anneal (PMA) at 200 deg. C in hydrogen atmosphere, and consequently the leakage current density at the gate bias voltage of 1 V becomes 1/4-1/20 of that of an ultrathin (i.e., 1.5 nm) thermal oxide layer usually formed at temperatures between 800 and 900 deg. C. The low leakage current density is attributable to (i) low interface state density, (ii) low SiO{sub 2} gap-state density, and (iii) high band discontinuity energy at the SiO{sub 2}/Si interface arising from the high atomic density of the NAOS SiO{sub 2} layer. For the formation of a relatively thick (i.e., {>=}10 nm) SiO{sub 2} layer, we have developed the two-step NAOS method in which the initial and subsequent oxidation is performed by immersion in {approx}40 wt% HNO{sub 3} and azeotropic HNO{sub 3} aqueous solutions, respectively. In this case, the SiO{sub 2} formation rate does not depend on the Si surface orientation. Using the two-step NAOS method, a uniform thickness SiO{sub 2} layer can be formed even on the rough surface of poly-crystalline Si thin films. The atomic density of the two-step NAOS SiO{sub 2} layer is slightly higher than that for thermal oxide. When PMA at 250 deg. C in hydrogen is performed on the two-step NAOS SiO{sub 2} layer, the current-voltage and capacitance-voltage characteristics become as good as those for thermal oxide formed at 900 deg. C. A relatively thick (i.e., {>=}10 nm) SiO{sub 2} layer can also be formed on SiC at 120 deg. C by use of the two-step NAOS method. With no treatment before the NAOS method

Crystallisation of Ba1-xSrxZn2Si2O7 from BaO/SrO/ZnO/SiO2 glass with different ZrO2 and TiO2 concentrations

Science.gov (United States)

Vladislavova, Liliya; Kracker, Michael; Zscheckel, Tilman; Thieme, Christian; Rüssel, Christian

2018-04-01

The effect of different nucleation agents such as ZrO2 and TiO2 was investigated for a first time with respect to their crystallisation behaviour in the glass system BaO-SrO-ZnO-SiO2. In all studied glasses, a Ba1-xSrxZn2Si2O7 (0.1 ≤ x ≤ 0.9) solid solution crystallized. This phase was first described in 2015 to possess a similar structure as the high temperature phase of BaZn2Si2O7 and a thermal expansion close to zero or even negative. It may find applications e.g. as cook panels, telescope mirrors, and furnace windows. Kinetic parameters of the crystallisation process were determined by supplying different heating rates in a differential scanning calorimeter (DSC). The results were evaluated using the equations of Ozawa and Kissinger with respect to the activation energies. Furthermore, the Ozawa method was used for the determination of Avrami parameters, which provides further information on the nucleation and crystallisation processes. Scanning electron microscopy including electron backscatter diffraction (EBSD) was used to characterise the microstructure, to determine the crystallite size and the crystal orientation. For the characterisation of the occurring crystalline phases, X-ray diffraction was used.

Crystal Growth and Characterization of MT2Si2 Ternary Intermetallics (M = U, RE and T = 3d, 4d, 5d Transition Metals)

NARCIS (Netherlands)

Menovsky, A.A.; Moleman, A.C.; Snel, G.E.; Gortenmulder, T.J.; Palstra, T.T.M.

1986-01-01

Bulk single crystals of the ternary intermetallic compounds UT2Si2 (T = Ni, Pd, Pt and Ru), LaT2Si2 (T = Pd and Rh) and LuPd2Si2 have been grown from the melt with a modified “tri-arc” Czochralski method. The as-grown crystals were characterized by X-ray, microprobe and chemical analyses. The

Internal Friction of (SiO2)1-x (GeO2)x Glasses

OpenAIRE

Kosugi , T.; Kobayashi , H.; Kogure , Y.

1996-01-01

Internal friction of (SiO2)1-x (GeO2)x glasses (x = 0, 5, 10, 24 and 100 mole%) is measured at temperatures between 1.6 and 280 K. The data are filted with the equations for thermally activated relaxation with distributing activation energies in symmetrical double-well potentials. From the determined relaxation strength spectra for each sample, the contributions from each type of microscopic structural units are calculated assuming that transverse motion of the bridging O atom in Si-O-Si, Si-...

Cathodic Potential Dependence of Electrochemical Reduction of SiO2 Granules in Molten CaCl2

Science.gov (United States)

Yang, Xiao; Yasuda, Kouji; Nohira, Toshiyuki; Hagiwara, Rika; Homma, Takayuki

2016-09-01

As part of an ongoing fundamental study to develop a new process for producing solar-grade silicon, this paper examines the effects of cathodic potential on reduction kinetics, current efficiency, morphology, and purity of Si product during electrolysis of SiO2 granules in molten CaCl2 at 1123 K (850 °C). SiO2 granules were electrolyzed potentiostatically at different cathodic potentials (0.6, 0.8, 1.0, and 1.2 V vs Ca2+/Ca). The reduction kinetics was evaluated based on the growth of the reduced Si layer and the current behavior during electrolysis. The results suggest that a more negative cathodic potential is favorable for faster reduction. Current efficiencies in 60 minutes are greater than 65 pct at all the potentials examined. Si wires with sub-micron diameters are formed, and their morphologies show little dependence on the cathodic potential. The impurities in the Si product can be controlled at low level. The rate-determining step for the electrochemical reduction of SiO2 granules in molten CaCl2 changes with time. At the initial stage of electrolysis, the electron transfer is the rate-determining step. At the later stage, the diffusion of O2- ions is the rate-determining step. The major cause of the decrease in reduction rate with increasing electrolysis time is the potential drop from the current collector to the reaction front due to the increased contact resistance among the reduced Si particles.

Contribution to the study of metal-oxide-semiconductor devices with optical access. In2O3-SiO2-Si structure

International Nuclear Information System (INIS)

Thenoz, Yves.

1974-01-01

A general study of the fabrication of the structure In 2 O 3 /SiO 2 /Si was made encompassing the problems posed during the realization of these structures. The sputtering study enabled the influence of the main parameters on layer properties to be determined. The decisive importance of clean conditions throughout fabrication (especially during sputtering) on the properties of In 2 O 3 layers and on those of the structure and its stability was revealed. However, the problem of ageing of the structure were not investigated. Finally, the construction of MOS capacitors and transistors showed that In 2 O 3 /SiO 2 /Si structures can be used in MOS circuits [fr

Electrical and dielectric spectroscopic characterization of polycrystalline Dy/sub 2/Si/sub 2/O/sub 7/

International Nuclear Information System (INIS)

Ameer, S.; Maqsood, A.

2011-01-01

The compound Dy/sub 2/Si/sub 2/O/sub 7/ exists in two polymorphs, the low temperature triclinic phase (type B) and a high temperature orthorhombic phase (type E). The dc and ac electrical conductivities of E-Dy/sub 2/Si/sub 2/O/sub 7/ are measured in the temperature range 290-510 K and frequency range 1 kHz to 1 MHz. The dc electrical transport data are analyzed according to Mott's variable-range hopping model. The disorder parameter (T/sub o/) and density of states at fermi level are obtained. The ac conductivity sigma/sub ac/ (omega) is obtained through the dielectric parameters. The ac conductivity can be expressed as sigma/sub ac/ (omega) = B sigma/sup s/ , where s is slope and it decreases with increase in temperature. The conduction mechanism in the compound is discussed in low and high temperature regions in the light of theoretical models. (author)

Silicon electrodeposition from chloride-fluoride melts containing K2SiF6 and SiO2

Directory of Open Access Journals (Sweden)

Zhuk Sergey I.

2017-01-01

Full Text Available Silicon electrodeposition on glassy carbon from the KF-KCl-K2SiF6, KF-KCl-K2SiF6-KOH and KF-KCl-K2SiF6-SiO2 melts was studied by the cyclic voltammetry. Тhe electroreduction of Si(IV to metallic Si was observed as a single 4-electron wave under all considered conditions. The reactions of cathode reduction of silicon from fluoride and oxyfluoride complexes were suggested. It was shown that the process can be controlled by the preliminary transformation of SiO44- to SiF62- and SiOxFyz-. The influence of the current density on structure and morphology of silicon deposits obtained during galvanostatic electrolysis of the KF-KCl-K2SiF6-SiO2 melt was studied.

Understanding of CO{sub 2} interaction with thermally grown SiO{sub 2} on Si using IBA depth profiling techniques

Energy Technology Data Exchange (ETDEWEB)

Deokar, Geetanjali; D’Angelo, Marie; Briand, Emrick [INSP, UPMC, CNRS UMR 7588, 4 Place Jussieu, Paris F-75005 (France); Deville Cavellin, Catherine, E-mail: deville@univ-paris12.fr [INSP, UPMC, CNRS UMR 7588, 4 Place Jussieu, Paris F-75005 (France); Faculté des Sciences et Technologie UPEC, 61 Av., De Gaulle, Créteil F-94010 (France)

2013-06-01

Interactions between CO{sub 2} and SiO{sub 2} films thermally grown on Si have been studied using {sup 18}O and {sup 13}C as isotopic tracers associated with ion beam analysis (IBA) depth profiling techniques. From secondary ion mass spectrometry (SIMS) measurements no carbon from CO{sub 2} is detected in the silica while it is found in Si. These results suggest that CO{sub 2} diffuses through the silica. Exchanges of oxygen between CO{sub 2} and silica can be observed from {sup 18}O to {sup 16}O SIMS signals variation. The oxygen concentration depth profiles were determined quantitatively using the narrow resonance near 151 keV in the {sup 18}O(p,α){sup 15}N nuclear reaction (Narrow Resonance Profiling, NRP). We demonstrate that two distinct oxygen exchanges processes co-exist and we determine the diffusion coefficient of the CO{sub 2} molecule in the silica at 1100 °C.

Stability analysis of SiO2/SiC multilayer coatings

International Nuclear Information System (INIS)

Fu Zhiqiang; Jean-Charles, R.

2006-01-01

The stability behaviours of SiC coatings and SiO 2 /SiC coatings in helium with little impurities are studied by HSC Chemistry 4.1, the software for analysis of Chemical reaction and equilibrium in multi-component complex system. It is found that in helium with a low partial pressure of oxidative impurities under different total pressure, the key influence factor controlling T cp of SiC depends is the partial pressure of oxidative impurities; T cp of SiC increases with the partial pressure of oxidative impurities. In helium with a low partial pressure of different impurities, the key influence factor of T cs of SiO 2 are both the partial pressure of impurities and the amount of impurities for l mol SiO 2 ; T cs of SiO 2 increases with the partial pressure of oxidative impurities at the same amount of the impurities for 1 mol SiO 2 while it decreases with the amount of the impurities for 1 mm SiO 2 at the same partial pressure of the impurities. The influence of other impurities on T cp of SiC in He-O 2 is studied and it is found that CO 2 , H 2 O and N-2 increase T cp of SiC in He-O 2 while H 2 , CO and CH 4 decrease T cp of SiC He-O 2 . When there exist both oxidative impurities and reductive impurities, their effect on T cs of SiO 2 can be suppressed by the other. In HTR-10 operation atmosphere, SiO 2 /SiC coatings can keep stable status at higher temperature than SiC coatings, so SiO 2 /SiC coatings is more suitable to improve the oxidation resistance of graphite in HTR-10 operation atmosphere compared with SiC coatings. (authors)

Heterogeneous integration of thin film compound semiconductor lasers and SU8 waveguides on SiO2/Si

Science.gov (United States)

Palit, Sabarni; Kirch, Jeremy; Mawst, Luke; Kuech, Thomas; Jokerst, Nan Marie

2010-02-01

We present the heterogeneous integration of a 3.8 μm thick InGaAs/GaAs edge emitting laser that was metal-metal bonded to SiO2/Si and end-fire coupled into a 2.8 μm thick tapered SU8 polymer waveguide integrated on the same substrate. The system was driven in pulsed mode and the waveguide output was captured on an IR imaging array to characterize the mode. The waveguide output was also coupled into a multimode fiber, and into an optical head and spectrum analyzer, indicating lasing at ~997 nm and a threshold current density of 250 A/cm2.

The magnetic structures and the magnetic phase diagram of the TbMn{sub 2}(Ge,Si){sub 2} system

Energy Technology Data Exchange (ETDEWEB)

Granovsky, S.A. [Department of Physics, M.V. Lomonosov Moscow State University, GSP-2, 119992 Moscow (Russian Federation) and TU Dresden, Institut fuer Festkoerperphysik, D-01062, Dresden (Germany)]. E-mail: ser@plms.phys.msu.ru; Gaidukova, I.Yu. [Department of Physics, M.V. Lomonosov Moscow State University, GSP-2, 119992 Moscow (Russian Federation); Doerr, M. [TU Dresden, Institut fuer Festkoerperphysik, D-01062, Dresden (Germany); Loewenhaupt, M. [TU Dresden, Institut fuer Festkoerperphysik, D-01062, Dresden (Germany); Markosyan, A.S. [Department of Physics, M.V. Lomonosov Moscow State University, GSP-2, 119992 Moscow (Russian Federation); State Center for Condensed Matter Physics, Rogova str.5., 123060 Moscow (Russian Federation); Ritter, C. [Institut Laue-Langevin, 38042 Grenoble Cedex 9 (France)

2007-03-15

Magnetic structures and magnetic phase transitions in natural-layered TbMn{sub 2}(Ge {sub x} Si{sub 1-} {sub x} ){sub 2} compounds have been studied by magnetisation, low-field AC-susceptibility, electrical resistivity and neutron-diffraction experiments. Non-collinear magnetic structures were observed in the concentration range 0 compounds with x<0.4 an additional 'intermediate' ferrimagnetic phase was observed (detected by a significant change in the electrical resistivity). The magnetic x-T phase diagram of the TbMn{sub 2}(Ge {sub x} Si{sub 1-} {sub x} ){sub 2} system is constructed and the role of magnetic couplings of different type for the stabilisation of the various magnetic structures is discussed.

RBS characterization of the deposition of very thin SiGe/SiO2 multilayers by LPCVD

International Nuclear Information System (INIS)

Munoz-Martin, A.; Climent-Font, A.; Rodriguez, A.; Sangrador, J.; Rodriguez, T.

2005-01-01

Multilayer structures consisting of several alternated layers of SiGe and SiO 2 with thickness ranging from 2 or Si as well as the deposition of SiO 2 on Si show negligible incubation times. The deposition of SiO 2 on SiGe, however, exhibits an incubation time of several minutes, which would be related to the oxidation of the surface necessary for the SiO 2 deposition to start. In all cases the film thickness increases linearly with deposition time, thus allowing the growth rates to be determined. These data allow the deposition process of these very thin layers to be accurately controlled

Synthesis of geopolymer from spent FCC: Effect of SiO2/Al2O<3 and Na2O/SiO2 molar ratios

Directory of Open Access Journals (Sweden)

Trochez, J. J.

2015-03-01

Full Text Available This paper assesses the feasibility of using a spent fluid catalytic cracking catalyst (SFCC as precursor for the production of geopolymers. The mechanical and structural characterization of alkali-activated SFCC binders formulated with different overall (activator + solid precursor SiO2/Al2O3 and Na2O/SiO2 molar ratios are reported. Formation of an aluminosilicate ‘geopolymer’ gel is observed under all conditions of activation used, along with formation of zeolites. Increased SiO2/Al2O3 induces the formation of geopolymers with reduced mechanical strength, for all the Na2O/SiO2 ratios assessed, which is associated with excess silicate species supplied by the activator. This is least significant at increased alkalinity conditions (higher Na2O/SiO2 ratios, as larger extents of reaction of the spent catalyst are achieved. SiO2/Al2O3 and Na2O/SiO2 ratios of 2.4 and 0.25, respectively, promote the highest compressive strength (67 MPa. This study elucidates the great potential of using SFCC as precursor to produce sustainable ceramic-like materials via alkali-activation.Este artículo estudia la factibilidad de usar un catalizador gastado del proceso de craqueo (SFCC para la producción de geopolímeros. Se evalúan las características mecánicas y estructurales de los geopolímeros producidos con diferentes relaciones molares (activador + precursor solido de SiO2/Al2O3 y Na2O/SiO2. La formación de un gel geopolimérico de tipo aluminosilicato se observa a las diferentes condiciones evaluadas, así como la formación de zeolitas. Un incremento en la relación SiO2/Al2O3 genera geopolímeros de baja resistencia mecánica, a las diferentes relaciones molares Na2O/SiO2 evaluadas, como consecuencia del exceso de especies silicato provenientes del activador. Este efecto es menos significativo al incrementar las condiciones de alcalinidad (mayores relaciones Na2O/SiO2, ya que un mayor grado de reacción del catalizador gastado es alcanzado. Las

High spin-polarization in ultrathin Co2MnSi/CoPd multilayers

Science.gov (United States)

Galanakis, I.

2015-03-01

Half-metallic Co2MnSi finds a broad spectrum of applications in spintronic devices either in the form of thin films or as spacer in multilayers. Using state-of-the-art ab-initio electronic structure calculations we exploit the electronic and magnetic properties of ultrathin Co2MnSi/CoPd multilayers. We show that these heterostructures combine high values of spin-polarization at the Co2MnSi spacer with the perpendicular magnetic anisotropy of binary compounds such as CoPd. Thus they could find application in spintronic/magnetoelectronic devices.

A thermal conductivity model for U-­Si compounds

Energy Technology Data Exchange (ETDEWEB)

Zhang, Yongfeng [Idaho National Lab. (INL), Idaho Falls, ID (United States); Andersson, Anders David Ragnar [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2017-02-02

U₃Si₂ is a candidate for accident tolerant nuclear fuel being developed as an alternative to UO₂ in commercial light water reactors (LWRs). One of its main benefits compared to UO₂ is higher thermal conductivity that increases with temperature. This increase is contrary to UO₂, for which the thermal conductivity decreases with temperature. The reason for the difference is the electronic origin of thermal conductivity in U₃Si₂, as compared to the phonon mechanism responsible for thermal transport in UO₂. The phonon thermal conductivity in UO₂ is unusually low for a fluorite oxide due to the strong interaction with the spins in the paramagnetic phase. The thermal conductivity of U₃Si₂ as well as other U-­Si compounds has been measured experimentally [1-­4]. However, for fuel performance simulations it is also critical to model the degradation of the thermal conductivity due to damage and microstructure evolution caused by the reactor environment (irradiation and high temperature). For UO₂ this reduction is substantial and it has been the topic of extensive NEAMS research resulting in several publications [5, 6]. There are no data or models for the evolution of the U₃Si₂ thermal conductivity under irradiation. We know that the intrinsic thermal conductivities of UO₂ (semi-conductor) and U₃Si₂ (metal) are very different, and we do not necessarily expect the dependence on damage to be the same either, which could present another advantage for the silicide fuel. In this report we summarize the first step in developing a model for the thermal conductivity of U-­Si compounds with the goal of capturing the effect of damage in U₃Si₂. Next year, we will focus on lattice damage. We will also attempt to assess the impact of fission gas bubbles.

Isothermal section of the Ti-Si-B system at 1250 ° C in the Ti-TiSi2-TiB2 region

OpenAIRE

Ramos, Alfeu Saraiva; Baldan, Renato; Nunes, Carlos Angelo; Coelho, Gilberto Carvalho; Suzuki, Paulo Atsushi; Rodrigues, Geovani

2013-01-01

A partial isothermal section (Ti-TiSi2-TiB2 region) of the ternary Ti-Si-B system at 1250 ° C was determined from heat-treated alloys prepared via arc melting. Microstructural characterization has been carried out through scanning electron microscopy (SEM), x-ray diffraction (xRD) and wavelength dispersive spectrometry (WDS). The results have shown the stability of the near stoichiometric Ti6Si2B phase and a negligible solubility of boron in the Ti-silicides as well as of Si in the Ti-borides...

Moessbauer effect in pure and impurity doped FeSi2

International Nuclear Information System (INIS)

Blaauw, C.; Hanson, H.; Woude, F. van der

1975-01-01

Numerical values of the calculated and experimentally determined Moessbauer parameters for pure β-FeSi 2 and α-FeSi 2 are given. Temperature dependence of isomer shift and quadrupole splitting for the two Fe positions in β-FeSi 2 is presented. For α-FeSi 2 only average values are given. Spectra of Co- and Al-doped FeSi 2 recorded at 80, 293, 557 and 788 K were analyzed in the same manner as those of undoped FeSi 2 . The average values of isomer shift and quadrupole splitting in Co- and Al-doped β-FeSi 2 (α-Fesi 2 ) were compared to those found in undoped β-FeSi 2 (α-FeSi 2 ). All data were based on the room temperature spectra. Changes in Moessbauer parameters of doped samples relative to undoped ones were generally small, being of the order of hundredths of mm/sec. (Z.S.)

Magnetic relaxation behaviour in Pr{sub 2}NiSi{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Pakhira, Santanu, E-mail: santanupakhira20006@gmail.com; Mazumdar, Chandan; Ranganathan, R. [Condensed Matter Physics Division, Saha Institute Of Nuclear Physics, 1/AF Bidhannagar, Kolkata-700064 (India)

2016-05-06

Time dependent isothemal remanent magnetizatin (IRM) behaviour for polycrystalline compound Pr{sub 2}NiSi{sub 3} have been studied below its characteristic temperature. The compound undergoes slow magnetic relaxation with time. Along with competing interaction, non-magnetic atom disorder plays an important role in formation of non-equilibrium glassy like ground state for this compound.

Alpha-particle irradiation induced defects in SiO2 films of Si-SiO2 structures

International Nuclear Information System (INIS)

Koman, B.P.; Gal'chynskyy, O.V.; Kovalyuk, R.O.; Shkol'nyy, A.K.

1996-01-01

The aim of the work was to investigate alpha-particle irradiation induced defects in Si-SiO 2 structures by means of the thermostimulated discharge currents (TSDC) analysis. The object of investigation were (p-Si)-SiO 2 structures formed by a combined oxidation of the industrial p-Si wafers in dry and wet oxygen at temperature of 1150 C. The TSD currents were investigated in the temperature range between 90 and 500 K under linear heating rate. Pu 238 isotopes were the source of alpha-particles with an energy of 4-5 MeV and a density of 5.10 7 s -1 cm -2 . The TSD current curves show two peculiar maxima at about 370 and 480 K. Alpha-particle irradiation doesn't affect the general shape of the TSDC curves but leads to a shift of the maximum at 370 K and reduces the total electret charge which is accumulated in the Si-SiO 2 structures during polarization. The energy distribution function of the defects which are involved in SiO 2 polarization has been calculated. It showes that defects with activation energies of about 0.8 and 1.0 eV take part in forming the electret state, and these activation energies have certain energy distributions. It has been found that the TSDC maximum at 370 K has space charge nature and is caused by migration of hydrogen ions. In irradiated samples hydrogen and natrium ions localize on deeper trapping centres induced by alpha-particle irradiation. (orig.)

Determination of phases of {alpha} - Fe{sub 2}O{sub 3}: SiO{sub 2} compound by the Rietveld refinement

Energy Technology Data Exchange (ETDEWEB)

Palomares S, S.A. [Istituto Materiali Speciali per Elettronica e Magnetismo (MASPEC), Parco Area delle Scienze 37A-43010 Loc. Fontanni, Parma (Italy); Ponce C, S.; Martinez, J.R. [Facultad de Ciencias, Universidad Autonoma de San Luis Potosi, 78000 San Luis Potosi (Mexico); Ruiz, F. [Instituto Potosino de Investigacion Cientifica y Tecnologica, Av. V. Carranza 2025, San Luis Potosi (Mexico)

2002-07-01

We use a variation of the Rietveld refinement method to calculate the amorphous content of composites formed by a silica xerogel amorphous matrix and iron particles embedded into. In order to apply the Rietveld refinement to amorphous structures an initial crystalline model is assumed with the same composition as the material to be modelled. In this work we try to refine the structure of compounds using the program MAUD. It is shown how this program can be used to determine the amorphous and crystalline fractions in composites consisting of an amorphous matrix and incorporated iron oxide particles. The analysed compounds underwent different thermal treatments. (Author)

Modification of Screen Printed Carbon Electrode (SPCE with Polypyrrole (Ppy-SiO2 for Phenol Determination

Directory of Open Access Journals (Sweden)

Ani Mulyasuryani

2018-01-01

Full Text Available Electrode modification on screen printed carbon electrode (SPCE with polypyrrole (Ppy-SiO2 was done by electropolymerization. Polypyrrole (Ppy-SiO2 was used for phenol determination. The analysis of this material was done by using Scanning Electron Microscopy (SEM, cyclic voltammetry method and differential pulse voltammetry. In a cyclic voltammetry analysis, we used potential range of -1 to 1 V with Ag/AgCl comparator electrode at scan rate of 100 mV/sec, while in differential pulse voltammetry method the potential range was 0 to 1 V toward Ag/AgCl, the scan rate of 50 mV/sec, the pulse rate is 0,2 V and the pulse width is 50 ms. From the analysis result with SEM, cyclic voltammetry and differential pulse voltammetry method, Polypyrrole (Ppy -SiO2 is the best material and can be used as phenol measurement.

Pseudopotential description of rare earths in oxides: The case of Er2Si2O7

DEFF Research Database (Denmark)

Lægsgaard, Jesper; Stokbro, Kurt

2001-01-01

The applicability of ultrasoft pseudopotentials to the problem of rare-earth incorporation in silicates is investigated using the compound Er2Si2O7 as a test case. It is found that density-functional theory within the generalized gradient approximation provides a good description of the structural...... parameters, when treating the Er 4f states as a partially occupied core shell. The density of states and the distribution of electronic charge are analyzed, and it is concluded that the presence of Er tends to increase the covalency of neighboring Si-O bonds....

Heat capacities of several Co{sub 2}YZ Heusler compounds

Energy Technology Data Exchange (ETDEWEB)

Yin, Ming, E-mail: myin1@hawk.iit.edu; Nash, Philip; Chen, Song

2013-12-20

Highlights: • Heat contents from 600 K to 1500 K of selected Co{sub 2}YZ were measured by drop calorimeters. • Heat capacities were obtained by taking derivatives of heats contents which were fitted with second order polynomial with respect to temperature. • Melting points determined by DSC were consistent with literature data. • Heats of fusion determined by DSC were comparable with those obtained by extrapolation of heat contents. - Abstract: Heat contents of several Co{sub 2}-based Heusler compounds Co{sub 2}YZ (Y = Fe, Mn, Ti; Z = Al, Ga, Si, Ge, Sn) were measured from 500 K to 1500 K using a Setaram MTHC 96 drop calorimeter. Second order polynomials were adopted to fit the data and heat capacities were obtained by taking the derivatives with respect to temperature. Melting points were determined by differential scanning calorimetry (DSC) and measured heats of fusion were compared with those obtained from extrapolation of heat contents.

CeNi{sub 3}-type rare earth compounds: crystal structure of R{sub 3}Co{sub 7}Al{sub 2} (R=Y, Gd–Tm) and magnetic properties of {Gd–Er}{sub 3}Co{sub 7}Al{sub 2}, {Tb, Dy}{sub 3}Ni{sub 8}Si and Dy{sub 3}Co{sub 7.68}Si{sub 1.32}

Energy Technology Data Exchange (ETDEWEB)

Morozkin, A.V., E-mail: morozkin@tech.chem.msu.ru [Department of Chemistry, Moscow State University, Leninskie Gory, House 1, Building 3, GSP-1, Moscow 119991 (Russian Federation); Yapaskurt, V.O. [Department of Petrology, Geological Faculty Moscow State University, Leninskie Gory, Moscow 119991 (Russian Federation); Nirmala, R. [Indian Institute of Technology Madras, Chennai 600 036 (India); Quezado, S.; Malik, S.K. [Departamento de Física Teórica e Experimental, Universidade Federal do Rio Grande do Norte, Natal 59082-970 (Brazil)

2017-03-15

The crystal structure of new CeNi{sub 3}-type {Y, Gd–Tm}{sub 3}Co{sub 7}Al{sub 2} (P63/mmc. N 194, hP24) compounds has been established using powder X-ray diffraction studies. The magnetism of Tb{sub 3}Ni{sub 8}Si and Dy{sub 3}Ni{sub 8}Si is dominated by rare earth sublattice and the magnetic properties of R{sub 3}Co{sub 7}Al{sub 2} (R =Gd–Er) and Dy{sub 3}Co{sub 7.68}Si{sub 1.32} are determined by both rare earth and cobalt sublattices. Magnetization data indicate ferromagnetic ordering of {Tb, Dy}{sub 3}Ni{sub 8}Si at 32 K and 21 K, respectively. Gd{sub 3}Co{sub 7}Al{sub 2} and Tb{sub 3}Co{sub 7}Al{sub 2} exhibit ferromagnetic ordering at 309 K and 209 K, respectively, whereas Dy{sub 3}Co{sub 7}Al{sub 2}, Ho{sub 3}Co{sub 7}Al{sub 2}, Er{sub 3}Co{sub 7}Al{sub 2} and Dy{sub 3}Co{sub 7.68}Si{sub 1.32} show a field dependent ferromagnetic-like ordering at 166 K, 124 K, 84 K and 226 K, respectively followed by a low temperature transition at 34 K for Dy{sub 3}Co{sub 7}Al{sub 2}, 18 K for Ho{sub 3}Co{sub 7}Al{sub 2}, 56 K for Er{sub 3}Co{sub 7}Al{sub 2}, 155 K and 42 K for Dy{sub 3}Co{sub 7.68}Si{sub 1.32}. Among these compounds, Dy{sub 3}Ni{sub 8}Si shows largest magnetocaloric effect (isothermal magnetic entropy change) of −11.6 J/kg·K at 18 K in field change of 50 kOe, whereas Tb{sub 3}Co{sub 7}Al{sub 2}, Dy{sub 3}Co{sub 7}Al{sub 2} and Dy{sub 3}Co{sub 7.68}Si{sub 1.32} exhibit best permanent magnet properties in the temperature range of 2–5 K with remanent magnetization of 11.95 μ{sub B}/fu, 12.86 μ{sub B}/fu and 14.4 μ{sub B}/fu, respectively and coercive field of 3.0 kOe, 1.9 kOe and 4.4 kOe, respectively. - Highlights: • {Y, Gd–Tm}{sub 3}Co{sub 7}Al{sub 2} compounds crystallize in the CeNi{sub 3}-type structure. • {Gd-Er}{sub 3}Co{sub 7}Al{sub 2} show ferrimagnetic ordering at 309 K, 209 K, 166 K, 124 K and 84 K. • Dy{sub 3}Co{sub 7.68}Si{sub 1.32} exhibits magnetic transitions at 226 K, 155 K and 42 K. • {Tb-Er}{sub 3}Co{sub 7}Al{sub 2

Photoluminescence of Mg_2Si films fabricated by magnetron sputtering

International Nuclear Information System (INIS)

Liao, Yang-Fang; Xie, Quan; Xiao, Qing-Quan; Chen, Qian; Fan, Meng-Hui; Xie, Jing; Huang, Jin; Zhang, Jin-Min; Ma, Rui; Wang, Shan-Lan; Wu, Hong-Xian; Fang, Di

2017-01-01

Highlights: • High quality Mg_2Si films were grown on Si (111) and glass substrates with magnetron sputtering, respectively. • The first observation of Photoluminescence (PL) of Mg_2Si films was reported. • The Mg_2Si PL emission wavelengths are almost independence on temperature in the range of 77–300 K. • The strongest PL emissions may be attributed to interstitial Mg donor level to valence band transitions. • The activation energy of Mg_2Si is determined from the quenching of major luminescence peaks. - Abstract: To understand the photoluminescence mechanisms and optimize the design of Mg_2Si-based light-emitting devices, Mg_2Si films were fabricated on silicon (111) and glass substrates by magnetron sputtering technique, and the influences of different substrates on the photoelectric properties of Mg_2Si films were investigated systematically. The crystal structure, cross-sectional morphology, composition ratios and temperature-dependent photoluminescence (PL) of the Mg_2Si films were examined using X-ray diffraction (XRD), Scanning electron microscope (SEM), energy dispersive X-ray spectroscopy (EDS) and PL measurement system, respectively. XRD results indicate that the Mg_2Si film on Si (111) displays polycrystalline structure, whereas Mg_2Si film on glass substrate is of like-monocrystalline structure.SEM results show that Mg_2Si film on glass substrate is very compact with a typical dense columnar structure, and the film on Si substrate represents slight delamination phenomenon. EDS results suggest that the stoichiometry of Mg and Si is approximately 2:1. Photoluminescence (PL) of Mg_2Si films was observed for the first time. The PL emission wavelengths of Mg_2Si are almost independence on temperature in the range of 77–300 K. The PL intensity decreases gradually with increasing temperature. The PL intensity of Mg_2Si films on glass substrate is much larger than that of Mg_2Si film on Si (111) substrate. The activation energy of 18 meV is

Novel hydrophobic PDVB/R-SiO2 for adsorption of volatile organic compounds from highly humid gas stream.

Science.gov (United States)

Lu, Han-feng; Cao, Jie-jing; Zhou, Ying; Zhan, De-li; Chen, Yin-fei

2013-11-15

A novel organic-inorganic hydrophobic polydivinylbenzene-silica adsorbent (PDVB/R-SiO2) was successfully prepared by introducing a specific amount of divinylbenzene and solvent (i.e., tetrahydrofuran) to SiO2pores and initiating polymerization under solvothermal conditions. New smaller structures and surface areas were formed in the SiO2 pores. The PDVB/R-SiO2-0.5 samples exhibited a bimodal pore size distribution with both SiO2 micropores/mesopores (0.5-2.0 nm) and mesopores (2.0-5.0 nm). The surface areas increased from 116 m(2)/g (SiO2) to 246 m(2)/g. The breakthrough curves of toluene adsorption indicated that the amount adsorbed on PDVB/R-SiO2-0.5 was 12 times higher than that on SiO2. The highly humid environment exhibited no effect on adsorption because the surface of PDVB was functionalized. The adsorbed toluene was easily desorbed in hot N2 stream at 100 °C. After 10 adsorption-desorption cycles, PDVB/R-SiO2-0.5 continued exhibiting excellent adsorption, indicating superior structural and regeneration abilities. Copyright © 2013 Elsevier B.V. All rights reserved.

Microstructure and properties of MoSi2-MoB and MoSi2-Mo5Si3 molybdenum silicides

International Nuclear Information System (INIS)

Schneibel, J.H.; Sekhar, J.A.

2003-01-01

MoSi 2 -based intermetallics containing different volume fractions of MoB or Mo 5 Si 3 were fabricated by hot-pressing MoSi 2 , MoB, and Mo 5 Si 3 powders in vacuum. Both classes of alloys contained approximately 5 vol.% of dispersed silica phase. Additions of MoB or Mo 5 Si 3 caused the average grain size to decrease. The decrease in the grain size was typically accompanied by an increase in flexure strength, a decrease in the room temperature fracture toughness, and a decrease in the hot strength (compressive creep strength) measured around 1200 deg. C, except when the Mo 5 Si 3 effectively became the major phase. Oxidation measurements on the two classes of alloys were carried out in air. Both classes of alloys were protected from oxidation by an in-situ adherent scale that formed on exposure to high temperature. The scale, although not analyzed in detail, is commonly recognized in MoSi 2 containing materials as consisting mostly of SiO 2 . The MoB containing materials showed an increase in the scale thickness and the cyclic oxidation rate at 1400 deg. C when compared with pure MoSi 2 . However, in contrast with the pure MoSi 2 material, oxidation at 1400 deg. C began with a weight loss followed by a weight gain and the formation of the protective silica layer. The Mo 5 Si 3 containing materials experienced substantial initial weight losses followed by regions of small weight changes. Overall, the MoB and Mo 5 Si 3 additions to MoSi 2 tended to be detrimental for the mechanical and oxidative properties

First investigations on the quaternary system Na2O-K2O-CaO-SiO2: synthesis and crystal structure of the mixed alkali calcium silicate K1.08Na0.92Ca6Si4O15

Science.gov (United States)

Kahlenberg, Volker; Mayerl, Michael Jean-Philippe; Schmidmair, Daniela; Krüger, Hannes; Tribus, Martina

2018-04-01

In the course of an exploratory study on the quaternary system Na2O-K2O-CaO-SiO2 single crystals of the first anhydrous sodium potassium calcium silicate have been obtained from slow cooling of a melt in the range between 1250 and 1050 °C. Electron probe micro analysis suggested the following idealized molar ratios of the oxides for the novel compound: K2O:Na2O:CaO:SiO2 = 1:1:12:8 (or KNaCa6Si4O15). Single-crystal diffraction measurements on a crystal with chemical composition K1.08Na0.92Ca6Si4O15 resulted in the following basic crystallographic data: monoclinic symmetry, space group P 21/ c, a = 8.9618(9) Å, b = 7.3594(6) Å, c = 11.2453(11) Å, β= 107.54(1)°, V = 707.2(1) Å3, Z = 2. Structure solution was performed using direct methods. The final least-squares refinement converged at a residual of R(|F|) = 0.0346 for 1288 independent reflections and 125 parameters. From a structural point of view, K1.08Na0.92Ca6Si4O15 belongs to the group of mixed-anion silicates containing [Si2O7]- and [SiO4]-units in the ratio 1:2. The mono- and divalent cations occupy a total of four crystallographically independent positions located in voids between the tetrahedra. Three of these sites are exclusively occupied by calcium. The fourth site is occupied by 54(1)% K and 46%(1) Na, respectively. Alternatively, the structure can be described as a heteropolyhedral framework based on corner-sharing silicate tetrahedra and [CaO6]-octahedra. The network can build up from kröhnkite-like [Ca(SiO4)2O2]-chains running along [001]. A detailed comparison with other A2B6Si4O15-compounds including topological and group-theoretical aspects is presented.

High spin-polarization in ultrathin Co2MnSi/CoPd multilayers

International Nuclear Information System (INIS)

Galanakis, I.

2015-01-01

Half-metallic Co 2 MnSi finds a broad spectrum of applications in spintronic devices either in the form of thin films or as spacer in multilayers. Using state-of-the-art ab-initio electronic structure calculations we exploit the electronic and magnetic properties of ultrathin Co 2 MnSi/CoPd multilayers. We show that these heterostructures combine high values of spin-polarization at the Co 2 MnSi spacer with the perpendicular magnetic anisotropy of binary compounds such as CoPd. Thus they could find application in spintronic/magnetoelectronic devices. - Highlights: • Ab-initio study of ultrathin Co 2 MnSi/CoPd multilayers. • Large values of spin-polarization at the Fermi are retained. • Route for novel spintronic/magnetoelectronic devices

Structure compatibility of TiO{sub 2} and SiO{sub 2} surfaces

Energy Technology Data Exchange (ETDEWEB)

Tokarský, Jonáš, E-mail: jonas.tokarsky@vsb.cz; Čapková, Pavla

2013-11-01

A simple method for the estimation of the most suitable mutual crystallographic orientations of TiO{sub 2} nanoparticles anchored on SiO{sub 2} substrate is presented in this work. Number of overlapping titanium and oxygen atoms creating atomic pairs can be used to quantify the structure compatibility. These atomic pairs are obtained directly from non-optimized TiO{sub 2} and SiO{sub 2} atomic planes. The descriptions of algorithms being implemented as scripts into the MATLAB environment in order to make the method more effective are also provided. This method can help with the selection of the most promising (h k l) planes of TiO{sub 2} and SiO{sub 2} adjacent surfaces and the outputs are in good agreement with results of molecular modeling of TiO{sub 2} nanoparticles anchored on SiO{sub 2} surfaces within the meaning of ability to determine the optimized models with the highest and the lowest TiO{sub 2}–SiO{sub 2} adhesion energies. To the best of our knowledge, there is no other such simple and efficient method providing this information, which is very important for molecular modeling of nanoparticle-crystalline substrate systems.

Multi-center vs. two-center bonding within the hetero-polyanion in Eu{sub 2}GaPt{sub 2} and its prototype Ca{sub 2}SiIr{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Poettgen, Rainer [Institut fuer Anorganische und Analytische Chemie, Universitaet Muenster (Germany); Borrmann, Horst; Grin, Yuri [Max-Planck-Institut fuer Chemische Physik fester Stoffe, Dresden (Germany)

2017-11-17

The compound Eu{sub 2}GaPt{sub 2} was synthesized from the elements in a sealed tantalum tube. Its Ca{sub 2}SiIr{sub 2}-type crystal structure was refined from single-crystal X-ray diffraction data: space group C2/c, a = 9.8775(6), b = 5.8621(6), c = 7.9677(5) Aa, β = 102.257(4) , R{sub F} = 0.039, 1344 observed reflections, and 25 variable parameters. The platinum (iridium) atoms in Eu{sub 2}GaPt{sub 2} and Ca{sub 2}SiIr{sub 2} form linear chains of dumbbells [2c(Pt-Pt) or 2c(Ir-Ir) bonds, respectively]. These chains are interconnected to 2D polyanions in Eu{sub 2}GaPt{sub 2} by the gallium atoms forming 4c(Ga-Pt-Ga-Pt) or by silicon atoms forming 2c(Si-Ir) bonds in Ca{sub 2}SiIr{sub 2}. The polyanion bonds to the europium (calcium) matrix via the pseudo lone-pairs at the gallium (silicon) atoms. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Lowered operation voltage in Pt/SBi2Ta2O9/HfO2/Si ferroelectric-gate field-effect transistors by oxynitriding Si

International Nuclear Information System (INIS)

Horiuchi, Takeshi; Takahashi, Mitsue; Li, Qiu-Hong; Wang, Shouyu; Sakai, Shigeki

2010-01-01

Oxynitrided Si (SiON) surfaces show smaller subthreshold swings than do directly nitrided Si (SiN) surfaces when used in ferroelectric-gate field-effect transistors (FeFETs) having the following stacked-gate structure: Pt/SrBi 2 Ta 2 O 9 (SBT)/HfO 2 /Si. SiON/Si substrates for FeFETs were prepared by rapid thermal oxidation (RTO) in O 2 at 1000 °C and subsequent rapid thermal nitridation (RTN) in NH 3 at various temperatures in the range 950–1150 °C. The electrical properties of the Pt/SBT/HfO 2 /SiON/Si FeFET were compared with those of reference FETs, i.e. Pt/SBT/HfO 2 gate stacks formed on Si substrates subjected to various treatments: SiN x /Si formed by RTN, SiO 2 /Si formed by RTO and untreated Si. The Pt/SBT/HfO 2 /SiON/Si FeFET had a larger memory window than all the other reference FeFETs, particularly at low operation voltages when the RTN temperature was 1050 °C

Long-term water absorption and thickness swelling and determine their characteristics in wood flour/polypropylene/Nano SiO2 nanocomposite

Directory of Open Access Journals (Sweden)

Saeed Ismaeilimoghadam

2016-09-01

Full Text Available The objective of this study was to investigate the effect of nano SiO2 on long-term water absorption and thickness swelling, humidity coefficient diffusion and thickness swelling rate of wood plastic composite. For this purpose, 60% wood flour, 40% polypropylene, 2 per hundred compound (phc MAPP in internal mixer (HAAKE were mixed. Nano SiO2 with 0, 1, 3 and 5 (phc ratios as a reinforcing was used too. Finally test samples were fabricated by using the injection molding machine. Then long-term water absorption and thickness swelling for 1848 hours according to the ASTM standard on the samples were measured. Humidity coefficient diffusion and thickness swelling rate for closer look long-term water absorption and thickness swelling behavior in wood plastic nanocomposite were calculated too. For ensure to the formation of hydrogen bonds between hydroxyl grope of SiO2 nanoparticles with hydroxyl grope of wood flour form Fourier transform infrared (FTIR spectroscopy tests was used. The results showed that water absorption behavior of nanocomposite is according to Fick's law, in addition with increasing to SiO2 nanoparticles, long-term water absorption and thickness swelling and humidity coefficient diffusion in wood plastic nanocomposite decreased. The results of infrared spectroscopy showed that hydrogen bond between the nano SiO2 and wood flour confirmed. Statistical analysis showed that after 1848 hours of immersion, nano SiO2 showed a significant effect at a confidence level of 99% on water absorption and thickness swelling, so the sample with 5% silica nanoparticles was chosen as the best treatment.

Self-aligned indium–gallium–zinc oxide thin-film transistors with SiNx/SiO2/SiNx/SiO2 passivation layers

International Nuclear Information System (INIS)

Chen, Rongsheng; Zhou, Wei; Zhang, Meng; Kwok, Hoi-Sing

2014-01-01

Self-aligned top-gate amorphous indium–gallium–zinc oxide (a-IGZO) thin-film transistors (TFTs) with SiN x /SiO 2 /SiN x /SiO 2 passivation layers are developed in this paper. The resulting a-IGZO TFT exhibits high reliability against bias stress and good electrical performance including field-effect mobility of 5 cm 2 /Vs, threshold voltage of 2.5 V, subthreshold swing of 0.63 V/decade, and on/off current ratio of 5 × 10 6 . With scaling down of the channel length, good characteristics are also obtained with a small shift of the threshold voltage and no degradation of subthreshold swing. The proposed a-IGZO TFTs in this paper can act as driving devices in the next generation flat panel displays. - Highlights: • Self-aligned top-gate indium–gallium–zinc oxide thin-film transistor is proposed. • SiN x /SiO 2 /SiN x /SiO 2 passivation layers are developed. • The source/drain areas are hydrogen-doped by CHF3 plasma. • The devices show good electrical performance and high reliability against bias stress

Role of the SiO2 buffer layer thickness in the formation of Si/SiO2/nc-Ge/SiO2 structures by dry oxidation

International Nuclear Information System (INIS)

Kling, A.; Ortiz, M.I.; Prieto, A.C.; Rodriguez, A.; Rodriguez, T.; Jimenez, J.; Ballesteros, C.; Soares, J.C.

2006-01-01

Nanomemories, containing Ge-nanoparticles in a SiO 2 matrix, can be produced by dry thermal oxidation of a SiGe layer deposited onto a Si-wafer with a barrier SiO 2 layer on its top. Rutherford backscattering spectrometry has been used to characterize the kinetics of the oxidation process, the composition profile of the growing oxide, the Ge-segregation and its diffusion into the barrier oxide in samples with thin and thick barrier oxide layers. The Ge segregated during the oxidation of the SiGe layer diffuses into the barrier oxide. In the first case the diffusion through the thin oxide is enhanced by the proximity of the substrate that acts as a sink for the Ge, resulting in the formation of a low Ge concentration SiGe layer in the surface of the Si-wafer. In the second case, the Ge-diffusion progresses as slowly as in bulk SiO 2 . Since barrier oxide layers as thin as possible are favoured for device fabrication, the structures should be oxidized at lower temperatures and the initial SiGe layer thickness reduced to minimize the Ge-diffusion

Luminescent properties of Eu2+ and Ce3+ ions in strontium litho-silicate Li2SrSiO4

International Nuclear Information System (INIS)

Dotsenko, V.P.; Levshov, S.M.; Berezovskaya, I.V.; Stryganyuk, G.B.; Voloshinovskii, A.S.; Efryushina, N.P.

2011-01-01

The luminescent properties of Eu 2+ and Ce 3+ ions in Li 2 SrSiO 4 have been studied upon excitation in the 2-20 eV region. Based on the results of luminescent measurements, values of the crystal field splitting and the centroid shift of the Ce 3+ 5d configuration in Li 2 SrSiO 4 were found and compared with those of Ce 3+ ions in some other inorganic compounds. The Eu 2+ ions in Li 2 SrSiO 4 exhibit a broad band emission with a maximum at 576 nm, which is due to the 4f 6 5d→4f 7 transition. It was shown that the long-wavelength position of the Eu 2+ emission in Li 2 SrSiO 4 is caused by the large crystal-field splitting of the Eu 2+ 4f 6 5d configuration and relatively high degree of covalency of the Eu-O bond. The stabilization of Eu 2+ ions in Li 2 SrSiO 4 during the synthesis process requires a strong reducing agent. Two phenomenological approaches to explain the low stability of Eu 2+ in Li 2 SrSiO 4 are also discussed.

Interface characteristics in Co2MnSi/Ag/Co2MnSi trilayer

International Nuclear Information System (INIS)

Li, Yang; Chen, Hong; Wang, Guangzhao; Yuan, Hongkuan

2016-01-01

Highlights: • Inferface DO 3 disorder is most favorable in Co 2 MnSi/Ag/Co 2 MnSi trilayer. • Interface itself and inferface DO 3 disorder destroy the half-metallicity of interface layers. • Magnetoresistance is reduced by the interface itself and interface disorder. • Magnetotransport coefficient is largely reduced by the interface itself and interface disorder. - Abstract: Interface characteristics of Co 2 MnSi/Ag/Co 2 MnSi trilayer have been investigated by means of first-principles. The most likely interface is formed by connecting MnSi-termination to the bridge site between two Ag atoms. As annealed at high temperature, the formation of interface DO 3 disorder is most energetically favorable. The spin polarization is reduced by both the interface itself and interface disorder due to the interface state occurs in the minority-spin gap. As a result, the magneto-resistance ratio has a sharp drop based on the estimation of a simplified modeling.

Structure determination of the ordered (2 × 1) phase of NiSi surface alloy on Ni(111) using low-energy electron diffraction

Science.gov (United States)

Sazzadur Rahman, Md.; Amirul Islam, Md.; Saha, Bidyut Baran; Nakagawa, Takeshi; Mizuno, Seigi

2015-12-01

The (2 × 1) structure of the two-dimensional nickel silicide surface alloy on Ni(111) was investigated using quantitative low-energy electron diffraction analysis. The unit cell of the determined silicide structure contains one Si and one Ni atom, corresponding to a chemical formula of NiSi. The Si atoms adopt substitutional face-centered cubic hollow sites on the Ni(111) substrate. The Ni-Si bond lengths were determined to be 2.37 and 2.34 Å. Both the alloy surface and the underlying first layers of Ni atoms exhibit slight corrugation. The Ni-Si interlayer distance is smaller than the Ni-Ni interlayer distance, which indicates that Si atoms and underlying Ni atoms strongly interact.

Anomalous behavior of the magnetic hyperfine field at 140Ce impurities at La sites in LaMnSi2

Science.gov (United States)

Domienikan, C.; Bosch-Santos, B.; Cabrera-Pasca, G. A.; Saxena, R. N.; Carbonari, A. W.

2018-05-01

Magnetic hyperfine field has been measured in the orthorhombic intermetallic compound LaMnSi2 with perturbed angular correlation (PAC) spectroscopy using radioactive 140La(140Ce) nuclear probes. Magnetization measurements were also carried out in this compound with MPSM-SQUID magnetometer. Samples of LaMnSi2 compound were prepared by arc melting the component metals with high purity under argon atmosphere followed by annealing at 1000°C for 60 h under helium atmosphere and quenching in water. X-ray analysis confirmed the samples to be in a single phase with correct crystal structure expected for LaMnSi2 compound. The radioactive 140La (T1/2 = 40 h) nuclei were produced by direct irradiation of the sample with neutrons in the IEA-R1 nuclear research reactor at IPEN with a flux of ˜ 1013 n cm-2s-1 for about 3 - 4 min. The PAC measurements were carried out with a six BaF2 detector spectrometer at several temperatures between 10 K and 400 K. Temperature dependence of the hyperfine field, Bhf was found to be anomalous. A modified two-state model explained this anomalous behavior where the effective magnetic hyperfine field at 140Ce is believed to have two contributions, one from the unstable localized spins at Ce impurities and another from the magnetic Mn atoms of the host. The competition of these two contributions explains the anomalous behavior observed for the temperature dependence of the magnetic hyperfine field at 140Ce. The ferromagnetic transition temperature (TC) of LaMnSi2 was determined to be 400(1) K confirming the magnetic measurements.

Effect of MoSi2 addition and particle size of SiC on pressureless sintering behavior and mechanical properties of ZrB2–SiC–MoSi2 composites

Directory of Open Access Journals (Sweden)

Mehri Mashhadi

2016-07-01

Full Text Available In the present paper, ZrB2–SiC–MoSi2 composites were prepared by pressureless sintering at temperatures of 2050, 2100 and 2150 °C for 1 h under argon atmosphere. In order to prepare composite samples, ZrB2 powder was milled for 2 h, then the reinforcing particles including of micron and nano-sized SiC powder were added. MoSi2 was added to ZrB2 from 0 to 5 wt.% as sintering aid. The mixtures were formed and, after the pyrolysis, they were sintered. Densification, microstructure and mechanical properties of ZrB2–SiC composites were investigated. The shrinkage of samples was measured, and the microstructure of samples was examined using scanning electron microscopy (SEM, equipped with EDS spectroscopy. In order to examine the oxidation behavior, the samples were heat treated at 1500 °C in air and then their weight changes were measured. Room temperature mechanical properties were examined. Mass fraction of MoSi2, particle size of SiC powder and sintering temperature have a great effect on relative density, porosity, shrinkage, hardness, fracture toughness, oxidation resistance and microstructure of these composites. The highest relative density, hardness, fracture toughness and weight changes of 98.7%, 16.17 GPa, 3 MPa m1/2 and 0.28%, respectively, were obtained in ZrB2–10 wt.%SiCnano–4 wt.%MoSi2 composites sintered at 2150 °C.

THE THERMODYNAMIC PROPERTIES OF MELTS OF DOUBLE SYSTEM MgO – Al2O3, MgO – SiO2, MgO – CaF2, Al2O3 – SiO2, Al2O3 – CaF2, SiO2 – CaF2

Directory of Open Access Journals (Sweden)

В. Судавцова

2012-04-01

Full Text Available Methodology of prognostication of thermodynamics properties of melts is presented from the coordinatesof liquidus of diagram of the state in area of equilibria a hard component is solution, on which energies ofmixing of Gibbs are expected in the double border systems of MgO – Al2O3, MgO – SiO2, MgO – CaF2,Al2O3 – SiO2, Al2O3 - CaF2, SiO2 - CaF2. For the areas of equilibrium there is quasibinary connection(MgAl2O4, Mg2SiO4, Al6Si2O13 – a grout at calculations was used equalization of Hauffe-Wagner. Theobtained data comport with literary

Thickness and composition of ultrathin SiO2 layers on Si

International Nuclear Information System (INIS)

Marel, C. van der; Verheijen, M.A.; Tamminga, Y.; Pijnenburg, R.H.W.; Tombros, N.; Cubaynes, F.

2004-01-01

Ultrathin SiO 2 layers are of importance for the semiconductor industry. One of the techniques that can be used to determine the chemical composition and thickness of this type of layers is x-ray photoelectron spectroscopy (XPS). As shown by Seah and Spencer [Surf. Interface Anal. 33, 640 (2002)], it is not trivial to characterize this type of layer by means of XPS in a reliable way. We have investigated a series of ultrathin layers of SiO 2 on Si (in the range from 0.3 to 3 nm) using XPS. The samples were also analyzed by means of transmission electron microscopy (TEM), Rutherford backscattering (RBS), and ellipsometry. The thickness of the SiO 2 layers (d) was determined from the XPS results using three different approaches: the 'standard' equation (Seah and Spencer) for d, an overlayer-substrate model calculation, and the QUASES-Tougaard [Surf. Interface Anal. 26, 249 (1998), QUASES-Tougaard: Software package for Quantitative Analysis of Surfaces by Electron Spectroscopy, version 4.4 (2000); http://www.quases.com] method. Good agreement was obtained between the results of XPS analyses using the 'standard' equation, the overlayer-substrate model calculation, and RBS results. The QUASES-Tougaard results were approximately 62% above the other XPS results. The optical values for the thickness were always slightly higher than the thickness according to XPS or RBS. Using the model calculation, these (relatively small) deviations from the optical results could be explained as being a consequence of surface contaminations with hydrocarbons. For a thickness above 2.5 nm, the TEM results were in good agreement with the results obtained from the other techniques (apart from QUASES-Tougaard). Below 2.5 nm, significant deviations were found between RBS, XPS, and optical data on the one hand and TEM results on the other hand; the deviations became larger as the thickness of the SiO 2 decreased. This effect may be related to interface states of oxygen, which have been

Studies of valence of selected rare earth silicides determined using Si K and Pd/Rh L{sub 2,3} XANES and LAPW numerical studies

Energy Technology Data Exchange (ETDEWEB)

Zajdel, P., E-mail: pawel.zajdel@us.edu.pl [Institute of Physics, University of Silesia, ul. Uniwersytecka 4, 40-007 Katowice (Poland); Kisiel, A., E-mail: andrzej.kisiel@uj.edu.pl [M. Smoluchowski Institute of Physics, Jagiellonian University, ul. Lojasiewicza 11, 30-348 Kraków (Poland); Szytuła, A., E-mail: andrzej.szytula@uj.edu.pl [M. Smoluchowski Institute of Physics, Jagiellonian University, ul. Lojasiewicza 11, 30-348 Kraków (Poland); Goraus, J., E-mail: jerzy.goraus@us.edu.pl [Institute of Physics, University of Silesia, ul. Uniwersytecka 4, 40-007 Katowice (Poland); Balerna, A., E-mail: antonella.balerna@lnf.infn.it [Laboratori Nazionali di Frascati, INFN, Lab DAPHINE-Light, Via E. Fermi 40, I-00044 Frascati (Italy); Banaś, A., E-mail: slsba@nus.edu.sg [Singapore Synchrotron Light Source, National University of Singapore, 5 Research Link, Singapore 117603 (Singapore); Starowicz, P., E-mail: pawel.starowicz@uj.edu.pl [M. Smoluchowski Institute of Physics, Jagiellonian University, ul. Lojasiewicza 11, 30-348 Kraków (Poland); Konior, J., E-mail: jerzy.konior@uj.edu.pl [M. Smoluchowski Institute of Physics, Jagiellonian University, ul. Lojasiewicza 11, 30-348 Kraków (Poland); Cinque, G., E-mail: gianfelice.cinque@diamond.ac.uk [Diamond Light Source, Harwell Campus, OX11 0DE Chilton-Didcot (United Kingdom); Grilli, A., E-mail: antonio.grilli@lnf.infn.it [Laboratori Nazionali di Frascati, INFN, Lab DAPHINE-Light, Via E. Fermi 40, I-00044 Frascati (Italy)

2015-12-01

Highlights: • The Si K and Pd L{sub 3} edges of R{sub 2}PdSi{sub 3} (R = Ce, Nd, Tb, Dy, Ho, Er) and HoRh{sub 2−x}Pd{sub x}Si{sub 2} are reported. • The R–Si bonds possess polar and 4d5s bands of Pd and Rh metallic characters. • There is no indication of Ce having a different valence than the other rare earths. • The positions and features of the calculated edges exhibit a fair agreement up to ≈10 eV. • The supercell used for Ho{sub 2}PdSi{sub 3} is good enough to reproduce the Si K edge. - Abstract: We report on the investigation of Si and Pd/Rh chemical environments using X-ray Absorption Near Edge Spectroscopy in two different families of rare earth silicides R{sub 2}PdSi{sub 3} (R = Ce, Nd, Tb, Dy, Ho, Er) and HoRh{sub 2−x}Pd{sub x}Si{sub 2} (x = 0, 0.5, 0.75, 1.0, 1.5, 1.8, 2.0). The Si K, Pd L{sub 3} and Rh L{sub 3} absorption edges were recorded in order to follow their changes upon the variation of 4f and 4d5s electron numbers. In both cases it was found that the Si K edge was shifted ≈0.5 eV toward lower energies, relative to pure silicon. In the first family, the shift decreases with increasing number of f-electrons, while the Si K edge remains constant upon rhodium–palladium substitution. In all cases the Pd L{sub 3} edge was shifted to higher energies relative to metallic Pd. No visible change in the Pd L{sub 3} position was observed either with a varying 4f electron count or upon Pd/Rh substitution. Also, the Rh L{sub 3} edge did not change. For two selected members, Ho{sub 2}PdSi{sub 3} and HoPd{sub 2}Si{sub 2}, the Wien2K’09 (LDA + U) package was used to calculate the electronic structure and the absorption edges. Si K edges were reproduced well for both compounds, while Pd L{sub 3} only exhibited a fair agreement for the second compound. This discrepancy between the Pd L{sub 3} theory and experiment for the Ho{sub 2}PdSi{sub 3} sample can be attributed to the specific ordered superstructure used in the numerical calculations

Centrifugally cast Zn-27Al-xMg-ySi alloys and their in situ (Mg2Si + Si)/ZA27 composites

International Nuclear Information System (INIS)

Wang Qudong; Chen Yongjun; Chen Wenzhou; Wei Yinhong; Zhai Chunquan; Ding Wenjiang

2005-01-01

Effects of composition, mold temperature, rotating rate and modification on microstructure of centrifugally cast Zn-27Al-xMg-ySi alloys have been investigated. In situ composites of Zn-27Al-6.3Mg-3.7Si and Zn-27Al-9.8Mg-5.2Si alloys were fabricated by centrifugal casting using heated permanent mold. These composites consist of three layers: inner layer segregates lots of blocky primary Mg 2 Si and a litter blocky primary Si, middle layer contains without primary Mg 2 Si and primary Si, outer layer contains primary Mg 2 Si and primary Si. The position, quantity and distribution of primary Mg 2 Si and primary Si in the composites are determined jointly by alloy composition, solidification velocity under the effect of centrifugal force and their floating velocity inward. Na salt modifier can refine grain and primary Mg 2 Si and make primary Mg 2 Si distribute more evenly and make primary Si nodular. For centrifugally cast Zn-27Al-3.2Mg-1.8Si alloy, the microstructures of inner layer, middle layer and outer layer are almost similar, single layer materials without primary Mg 2 Si and primary Si are obtained, and their grain sizes increased with the mold temperature increasing

The ceramic SiO2 and SiO2-TiO2 coatings on biomedical Ti6Al4VELI titanium alloy

International Nuclear Information System (INIS)

Surowska, B.; Walczak, M.; Bienias, J.

2004-01-01

The paper presents the study of intermediate SiO 2 and SiO 2 -TiO 2 sol-gel coatings and dental porcelain coatings on Ti6Al4VELI titanium alloy. Surface microstructures and wear behaviour by pin-on-disc method of the ceramic coatings were investigated. The analysis revealed: (1) a compact, homogeneous SiO 2 and SiO 2 -TiO 2 coating and (2) that intermediate coatings may provide a durable joint between metal and porcelain, and (3) that dental porcelain on SiO 2 and TiO 2 coatings shows high wear resistance. (author)

Magnetic properties of Tb1-xSmxMn2Si2 silicides

International Nuclear Information System (INIS)

Kilic, A.; Kervan, S.; Gencer, A.

2005-01-01

The structural and magnetic properties of polycrystalline Tb 1-x Sm x Mn 2 Si 2 (0= 2 Si 2 -type structure with the space group I4/mmm. Substitution of Sm for Tb leads to a linear increase of the lattice constants and the unit cell volume. The lattice constants and the unit cell volume obey Vegard's law. At low temperatures, the rare earth sublattice orders and reconfigures the ordering in the Mn sublattice. The Neel temperature T N (Mn) determined by DSC technique decreases linearly with increase in Sm content x. The results are collected in an x-T magnetic-phase diagram

Ultrahigh broadband photoresponse of SnO2 nanoparticle thin film/SiO2/p-Si heterojunction.

Science.gov (United States)

Ling, Cuicui; Guo, Tianchao; Lu, Wenbo; Xiong, Ya; Zhu, Lei; Xue, Qingzhong

2017-06-29

The SnO 2 /Si heterojunction possesses a large band offset and it is easy to control the transportation of carriers in the SnO 2 /Si heterojunction to realize high-response broadband detection. Therefore, we investigated the potential of the SnO 2 nanoparticle thin film/SiO 2 /p-Si heterojunction for photodetectors. It is demonstrated that this heterojunction shows a stable, repeatable and broadband photoresponse from 365 nm to 980 nm. Meanwhile, the responsivity of the device approaches a high value in the range of 0.285-0.355 A W -1 with the outstanding detectivity of ∼2.66 × 10 12 cm H 1/2 W -1 and excellent sensitivity of ∼1.8 × 10 6 cm 2 W -1 , and its response and recovery times are extremely short (oxide or oxide/Si based photodetectors. In fact, the photosensitivity and detectivity of this heterojunction are an order of magnitude higher than that of 2D material based heterojunctions such as (Bi 2 Te 3 )/Si and MoS 2 /graphene (photosensitivity of 7.5 × 10 5 cm 2 W -1 and detectivity of ∼2.5 × 10 11 cm H 1/2 W -1 ). The excellent device performance is attributed to the large Fermi energy difference between the SnO 2 nanoparticle thin film and Si, SnO 2 nanostructure, oxygen vacancy defects and thin SiO 2 layer. Consequently, practical highly-responsive broadband PDs may be actualized in the future.

LEACHABILITY OF CHROME FROM MAGNESIA-CHROMITE REFRACTORY BRICKS CORRODED BY Cu/CuO- Na2O.2SiO2 SLAGS

Directory of Open Access Journals (Sweden)

David Medved

2015-06-01

Full Text Available The interactions of magnesia-chromite refractory brick with Cu-Na2O.2SiO2 and CuO-Na2O.2SiO2 melts are studied and the chemical durability of corrosion products in water is evaluated. The corrosion tests confirm intensive infiltration of the slag melts into the tested refractory bricks and formation of Cr(6+ compounds. The molten copper partially oxidizes during corrosion test by air and penetrates into bricks. Interactions among periclase (MgO and chromite (FeCr2O4 grains with the melt Na2O.2SiO2 and copper oxides makes possible to form several compounds (e.g. Cu2MgO3, CuCrO4, CaCrO4, Na2CrO4, MgCrO4. Just the marked yellow spots, which were observed on the corroded brick surface after 30 days of free storage, suggest hydration of the high-temperature corrosion products. The yellow color of spots points out to chromates as Na2CrO4 and MgCrO4, which are well soluble in water. The leaching of corroded bricks in water (batch leaching test of a ratio of S (solid : W (water = 0.1 taking up to 28 days confirmed the Cr, Na, Mg and Ca ions leach-out. The pH value of solution increased up to 9 during leaching mainly as a consequence of elevated Na+ ion concentration. The Cr ion concentration rises in the solution up to 1 mmol.l-1. The observed moderate decrease of Cr ion concentration in the solution with the length of leaching indicates super-saturation of the solution and precipitation of the products.

Standard enthalpies of formation of selected Rh{sub 2}YZ Heusler compounds

Energy Technology Data Exchange (ETDEWEB)

Yin, Ming, E-mail: myin1@hawk.iit.edu; Nash, Philip

2015-11-25

The standard enthalpies of formation (Δ{sub f}H°) of selected ternary Rh-based Rh{sub 2}YZ (Y = Cu, Fe, Mn, Ni, Ru, Ti, V; Z = Al, Ga, In, Si, Ge, Sn) compounds were measured using high temperature direct reaction calorimetry. The measured standard enthalpies of formation (in kJ/mol of atoms) are, for the Heusler compound Rh{sub 2}MnSn (−40.1 ± 3.6), for the B2-structured compounds: Rh{sub 2}FeAl (−48.5 ± 2.9); Rh{sub 2}MnAl (−72.4 ± 2.7); Rh{sub 2}MnGa (−55.3 ± 2.0); Rh{sub 2}MnIn (−35.3 ± 1.9), for the tetragonal compounds: Rh{sub 2}FeSn (−28.9 ± 1.3); Rh{sub 2}TiAl (−97.6 ± 2.2); Rh{sub 2}TiGa (−79.0 ± 1.8); Rh{sub 2}TiSn (−74.7 ± 3.1). Values are compared with those from first principles calculations in published papers and the Open Quantum Materials Database (OQMD). Lattice parameters of these compounds are determined using X-ray diffraction analysis (XRD). Microstructures were characterized using scanning electron microscopy (SEM) and Energy Dispersive Spectroscopy (EDS). - Highlights: • Standard enthalpies of formation of Rh{sub 2}YZ were measured using a drop calorimeter. • Measured enthalpies agree with first principles data in general. • Lattice parameters and related phase relationships were consistent with literature data. • Rh{sub 2}TiSn of tI8 structure were reported for the first time.

The formal combination of three singlet biradicaloid entities to a singlet hexaradicaloid metalloid Ge14[Si(SiMe3)3]5[Li(THF)2]3 cluster.

Science.gov (United States)

Schenk, Christian; Kracke, Andreas; Fink, Karin; Kubas, Adam; Klopper, Wim; Neumaier, Marco; Schnöckel, Hansgeorg; Schnepf, Andreas