Vacuum phonon tunneling.

Science.gov (United States)

Altfeder, Igor; Voevodin, Andrey A; Roy, Ajit K

2010-10-15

Field-induced phonon tunneling, a previously unknown mechanism of interfacial thermal transport, has been revealed by ultrahigh vacuum inelastic scanning tunneling microscopy (STM). Using thermally broadened Fermi-Dirac distribution in the STM tip as in situ atomic-scale thermometer we found that thermal vibrations of the last tip atom are effectively transmitted to sample surface despite few angstroms wide vacuum gap. We show that phonon tunneling is driven by interfacial electric field and thermally vibrating image charges, and its rate is enhanced by surface electron-phonon interaction.

Phonon density of states and anharmonicity of UO2

Science.gov (United States)

Pang, Judy W. L.; Chernatynskiy, Aleksandr; Larson, Bennett C.; Buyers, William J. L.; Abernathy, Douglas L.; McClellan, Kenneth J.; Phillpot, Simon R.

2014-03-01

Phonon density of states (PDOS) measurements have been performed on polycrystalline UO2 at 295 and 1200 K using time-of-flight inelastic neutron scattering to investigate the impact of anharmonicity on the vibrational spectra and to benchmark ab initio PDOS simulations performed on this strongly correlated Mott insulator. Time-of-flight PDOS measurements include anharmonic linewidth broadening, inherently, and the factor of ˜7 enhancement of the oxygen spectrum relative to the uranium component by the increased neutron sensitivity to the oxygen-dominated optical phonon modes. The first-principles simulations of quasiharmonic PDOS spectra were neutron weighted and anharmonicity was introduced in an approximate way by convolution with wave-vector-weighted averages over our previously measured phonon linewidths for UO2, which are provided in numerical form. Comparisons between the PDOS measurements and the simulations show reasonable agreement overall, but they also reveal important areas of disagreement for both high and low temperatures. The discrepancies stem largely from a ˜10 meV compression in the overall bandwidth (energy range) of the oxygen-dominated optical phonons in the simulations. A similar linewidth-convoluted comparison performed with the PDOS spectrum of Dolling et al. obtained by shell-model fitting to their historical phonon dispersion measurements shows excellent agreement with the time-of-flight PDOS measurements reported here. In contrast, we show by comparisons of spectra in linewidth-convoluted form that recent first-principles simulations for UO2 fail to account for the PDOS spectrum determined from the measurements of Dolling et al. These results demonstrate PDOS measurements to be stringent tests for ab inito simulations of phonon physics in UO2 and they indicate further the need for advances in theory to address the lattice dynamics of UO2.

Linear and non-linear infrared response of one-dimensional vibrational Holstein polarons in the anti-adiabatic limit: Optical and acoustical phonon models

Science.gov (United States)

Falvo, Cyril

2018-02-01

The theory of linear and non-linear infrared response of vibrational Holstein polarons in one-dimensional lattices is presented in order to identify the spectral signatures of self-trapping phenomena. Using a canonical transformation, the optical response is computed from the small polaron point of view which is valid in the anti-adiabatic limit. Two types of phonon baths are considered: optical phonons and acoustical phonons, and simple expressions are derived for the infrared response. It is shown that for the case of optical phonons, the linear response can directly probe the polaron density of states. The model is used to interpret the experimental spectrum of crystalline acetanilide in the C=O range. For the case of acoustical phonons, it is shown that two bound states can be observed in the two-dimensional infrared spectrum at low temperature. At high temperature, analysis of the time-dependence of the two-dimensional infrared spectrum indicates that bath mediated correlations slow down spectral diffusion. The model is used to interpret the experimental linear-spectroscopy of model α-helix and β-sheet polypeptides. This work shows that the Davydov Hamiltonian cannot explain the observations in the NH stretching range.

Vibrational Surface Electron-Energy-Loss Spectroscopy Probes Confined Surface-Phonon Modes

Directory of Open Access Journals (Sweden)

Hugo Lourenço-Martins

2017-12-01

Full Text Available Recently, two reports [Krivanek et al. Nature (London 514, 209 (2014NATUAS0028-083610.1038/nature13870, Lagos et al. Nature (London 543, 529 (2017NATUAS0028-083610.1038/nature21699] have demonstrated the amazing possibility to probe vibrational excitations from nanoparticles with a spatial resolution much smaller than the corresponding free-space phonon wavelength using electron-energy-loss spectroscopy (EELS. While Lagos et al. evidenced a strong spatial and spectral modulation of the EELS signal over a nanoparticle, Krivanek et al. did not. Here, we show that discrepancies among different EELS experiments as well as their relation to optical near- and far-field optical experiments [Dai et al. Science 343, 1125 (2014SCIEAS0036-807510.1126/science.1246833] can be understood by introducing the concept of confined bright and dark surface phonon modes, whose density of states is probed by EELS. Such a concise formalism is the vibrational counterpart of the broadly used formalism for localized surface plasmons [Ouyang and Isaacson Philos. Mag. B 60, 481 (1989PMABDJ1364-281210.1080/13642818908205921, García de Abajo and Aizpurua Phys. Rev. B 56, 15873 (1997PRBMDO0163-182910.1103/PhysRevB.56.15873, García de Abajo and Kociak Phys. Rev. Lett. 100, 106804 (2008PRLTAO0031-900710.1103/PhysRevLett.100.106804, Boudarham and Kociak Phys. Rev. B 85, 245447 (2012PRBMDO1098-012110.1103/PhysRevB.85.245447]; it makes it straightforward to predict or interpret phenomena already known for localized surface plasmons such as environment-related energy shifts or the possibility of 3D mapping of the related surface charge densities [Collins et al. ACS Photonics 2, 1628 (2015APCHD52330-402210.1021/acsphotonics.5b00421].

Phonon vibrational frequencies of all single-wall carbon nanotubes at the lambda point: reduced matrix calculations.

Science.gov (United States)

Wang, Yufang; Wu, Yanzhao; Feng, Min; Wang, Hui; Jin, Qinghua; Ding, Datong; Cao, Xuewei

2008-12-01

With a simple method-the reduced matrix method, we simplified the calculation of the phonon vibrational frequencies according to SWNTs structure and their phonon symmetric property and got the dispersion properties of all SWNTs at Gamma point in Brillouin zone, whose diameters lie between 0.6 and 2.5 nm. The calculating time is shrunk about 2-4 orders. A series of the dependent relationships between the diameters of SWNTs and the frequencies of Raman and IR active modes are given. Several fine structures including "glazed tile" structures in omega approximately d figures are found, which might predict a certain macro-quantum phenomenon of the phonons in SWNTs.

Phonon squeezed states: quantum noise reduction in solids

Science.gov (United States)

Hu, Xuedong; Nori, Franco

1999-03-01

This article discusses quantum fluctuation properties of a crystal lattice, and in particular, phonon squeezed states. Squeezed states of phonons allow a reduction in the quantum fluctuations of the atomic displacements to below the zero-point quantum noise level of coherent phonon states. Here we discuss our studies of both continuous-wave and impulsive second-order Raman scattering mechanisms. The later approach was used to experimentally suppress (by one part in a million) fluctuations in phonons. We calculate the expectation values and fluctuations of both the atomic displacement and the lattice amplitude operators, as well as the effects of the phonon squeezed states on macroscopically measurable quantities, such as changes in the dielectric constant. These results are compared with recent experiments. Further information, including preprints and animations, are available in http://www-personal.engin.umich.edu/∼nori/squeezed.html.

Atomic-partial vibrational density of states of i-AlCuFe quasicrystals

International Nuclear Information System (INIS)

Parshin, P.P.; Zemlyanov, M.; Brand, R.A.; Dianoux, A.J.; Calvayrac, Y.

2002-01-01

We present new results on the separation of the atomic-partial vibrational density of states for the ternary quasicrystal i-Al 62 Cu 25.5 Fe 12.5 . The decomposition into three atomic-partial functions, Al-, Cu- and Fe-g(E), has been performed self-consistently with the calculation of the multi-phonon contributions. The results show the surprising result that both Cu- and Fe-g(E) are strongly peaked. The low-energy regions of Al- and Cu-g(E) show strong deviations from Debye behaviour due to the presence of non-propagating low-energy vibrational states. (orig.)

Situation with collective two-phonon states in deformed nuclei

International Nuclear Information System (INIS)

Soloviev, V.G.; Shirikova, N.Yu.

1982-01-01

Within the quasiparticle-phonon nuclear model with the operators of phonons depending on the sign of the angular momentum projection, the Pauli principle is taken into account in the two-phonon components of the wave functions. The centroid energies of the collective two-phonon states in even-even deformed nuclei are calculated. It is shown that the inclusion of the Pauli principle leads to their shift by 1-3 MeV towards high energies. The shifts of three-phonon poles due to the Pauli principle are calculated in the three-phonon components of the wave functions. The collective two-phonon states, the centroid energies of which are 3-5 MeV, are expected to be strongly fragmented. The conclusion is confirmed that the collective two-phonon states should not exist in deformed nuclei. The situation in 168 Er and in the 228 Th isotopes is analysed

Phononic crystals of spherical particles: A tight binding approach

Energy Technology Data Exchange (ETDEWEB)

Mattarelli, M., E-mail: maurizio.mattarelli@fisica.unipg.it [NiPS Laboratory, Dipartimento di Fisica, Università di Perugia, Via Pascoli, 06100 Perugia (Italy); Secchi, M. [CMM - Fondazione Bruno Kessler, Via Sommarive 18, 38123 Trento (Italy); Dipartimento di Fisica, Università di Trento, Via Sommarive 14, 38123 Trento (Italy); Montagna, M. [Dipartimento di Fisica, Università di Trento, Via Sommarive 14, 38123 Trento (Italy)

2013-11-07

The vibrational dynamics of a fcc phononic crystal of spheres is studied and compared with that of a single free sphere, modelled either by a continuous homogeneous medium or by a finite cluster of atoms. For weak interaction among the spheres, the vibrational dynamics of the phononic crystal is described by shallow bands, with low degree of dispersion, corresponding to the acoustic spheroidal and torsional modes of the single sphere. The phonon displacements are therefore related to the vibrations of a sphere, as the electron wave functions in a crystal are related to the atomic wave functions in a tight binding model. Important dispersion is found for the two lowest phonon bands, which correspond to zero frequency free translation and rotation of a free sphere. Brillouin scattering spectra are calculated at some values of the exchanged wavevectors of the light, and compared with those of a single sphere. With weak interaction between particles, given the high acoustic impedance mismatch in dry systems, the density of phonon states consist of sharp bands separated by large gaps, which can be well accounted for by a single particle model. Based on the width of the frequency gaps, tunable with the particle size, and on the small number of dispersive acoustic phonons, such systems may provide excellent materials for application as sound or heat filters.

Hydrodynamic states of phonons in insulators

Directory of Open Access Journals (Sweden)

S.A. Sokolovsky

2012-12-01

Full Text Available The Chapman-Enskog method is generalized for accounting the effect of kinetic modes on hydrodynamic evolution. Hydrodynamic states of phonon system of insulators have been studied in a small drift velocity approximation. For simplicity, the investigation was carried out for crystals of the cubic class symmetry. It has been found that in phonon hydrodynamics, local equilibrium is violated even in the approximation linear in velocity. This is due to the absence of phonon momentum conservation law that leads to a drift velocity relaxation. Phonon hydrodynamic equations which take dissipative processes into account have been obtained. The results were compared with the standard theory based on the local equilibrium validity. Integral equations have been obtained for calculating the objects of the theory (including viscosity and heat conductivity. It has been shown that in low temperature limit, these equations are solvable by iterations. Steady states of the system have been considered and an expression for steady state heat conductivity has been obtained. It coincides with the famous result by Akhiezer in the leading low temperature approximation. It has been established that temperature distribution in the steady state of insulator satisfies a condition of heat source absence.

Demonstration of suppressed phonon tunneling losses in phononic bandgap shielded membrane resonators for high-Q optomechanics.

Science.gov (United States)

Tsaturyan, Yeghishe; Barg, Andreas; Simonsen, Anders; Villanueva, Luis Guillermo; Schmid, Silvan; Schliesser, Albert; Polzik, Eugene S

2014-03-24

Dielectric membranes with exceptional mechanical and optical properties present one of the most promising platforms in quantum opto-mechanics. The performance of stressed silicon nitride nanomembranes as mechanical resonators notoriously depends on how their frame is clamped to the sample mount, which in practice usually necessitates delicate, and difficult-to-reproduce mounting solutions. Here, we demonstrate that a phononic bandgap shield integrated in the membrane's silicon frame eliminates this dependence, by suppressing dissipation through phonon tunneling. We dry-etch the membrane's frame so that it assumes the form of a cm-sized bridge featuring a 1-dimensional periodic pattern, whose phononic density of states is tailored to exhibit one, or several, full band gaps around the membrane's high-Q modes in the MHz-range. We quantify the effectiveness of this phononic bandgap shield by optical interferometry measuring both the suppressed transmission of vibrations, as well as the influence of frame clamping conditions on the membrane modes. We find suppressions up to 40 dB and, for three different realized phononic structures, consistently observe significant suppression of the dependence of the membrane's modes on sample clamping-if the mode's frequency lies in the bandgap. As a result, we achieve membrane mode quality factors of 5 × 10(6) with samples that are tightly bolted to the 8 K-cold finger of a cryostat. Q × f -products of 6 × 10(12) Hz at 300 K and 14 × 10(12) Hz at 8 K are observed, satisfying one of the main requirements for optical cooling of mechanical vibrations to their quantum ground-state.

NATO Advanced Study Institute on Nonequilibrium Phonon Dynamics

CERN Document Server

1985-01-01

Phonons are always present in the solid state even at an absolute temperature of 0 K where zero point vibrations still abound. Moreover, phonons interact with all other excitations of the solid state and, thereby, influence most of its properties. Historically experimental information on phonon transport came from measurements of thermal conductivity. Over the past two decades much more, and much more detailed, information on phonon transport and on many of the inherent phonon interaction processes have come to light from experiments which use nonequilibrium phonons to study their dynamics. The resultant research field has most recently blossomed with the development of ever more sophisticated experimental and theoretical methods which can be applied to it. In fact, the field is moving so rapidly that new members of the research community have difficulties in keeping up to date. This NATO Advanced Study Institute (ASI) was organized with the objective of overcoming the information barrier between those expert...

Atomic-partial vibrational density of states of i-AlCuFe quasicrystals

CERN Document Server

Parshin, P P; Brand, R A; Dianoux, A J; Calvayrac, Y

2002-01-01

We present new results on the separation of the atomic-partial vibrational density of states for the ternary quasicrystal i-Al sub 6 sub 2 Cu sub 2 sub 5 sub . sub 5 Fe sub 1 sub 2 sub . sub 5. The decomposition into three atomic-partial functions, Al-, Cu- and Fe-g(E), has been performed self-consistently with the calculation of the multi-phonon contributions. The results show the surprising result that both Cu- and Fe-g(E) are strongly peaked. The low-energy regions of Al- and Cu-g(E) show strong deviations from Debye behaviour due to the presence of non-propagating low-energy vibrational states. (orig.)

Splash, pop, sizzle: Information processing with phononic computing

Directory of Open Access Journals (Sweden)

Sophia R. Sklan

2015-05-01

Full Text Available Phonons, the quanta of mechanical vibration, are important to the transport of heat and sound in solid materials. Recent advances in the fundamental control of phonons (phononics have brought into prominence the potential role of phonons in information processing. In this review, the many directions of realizing phononic computing and information processing are examined. Given the relative similarity of vibrational transport at different length scales, the related fields of acoustic, phononic, and thermal information processing are all included, as are quantum and classical computer implementations. Connections are made between the fundamental questions in phonon transport and phononic control and the device level approach to diodes, transistors, memory, and logic.

Two-phonon absorption spectra and lattice vibration anisotropy in HfS2

International Nuclear Information System (INIS)

Riede, V.; Neumann, H.; Sobotta, H.

1983-01-01

The infrared absorption spectra for E-vector perpendicular to c-vector in the two-phonon combination mode range is measured and analysed in order to get additional information about the A/sub 2u/ mode frequencies in HfS 2 . The lattice vibrational properties have been analysed in terms of the polarizable ion model. This model accounts for the long-range Coulomb terms of the charge and the static dipole induced by the structural anisotropy at each anion site

Nature of infrared-active phonon sidebands to internal vibrations: Spectroscopic studies of solid oxygen and nitrogen

Science.gov (United States)

Brodyanski, A. P.; Medvedev, S. A.; Vetter, M.; Kreutz, J.; Jodl, H. J.

2002-09-01

The ir-active phonon sidebands to internal vibrations of oxygen and nitrogen were precisely investigated by Fourier transform infrared spectroscopy in the fundamental and first overtone spectral regions from 10 K to the boiling points at ambient pressure. We showed that an analysis of ir-active phonon sidebands yields important information on the internal vibrations of molecules in a condensed medium (solid or liquid), being complementary to Raman data on vibron frequencies. Analyzing the complete profile of these bands, we determined the band origin frequencies and explored their temperature behavior in all phases of both substances. We present unambiguous direct experimental proofs that this quality corresponds to the frequency of internal vibrations of single molecules. Considering solid oxygen and nitrogen as two limiting cases for simple molecular solids, we interpret this result as a strong evidence for a general fact that an ir-active phonon sideband possesses the same physical origin in pure molecular solids and in impurity centers. The key characteristics of the fundamental vibron energy zone (environmental and resonance frequency shifts) were deduced from the combined analysis of ir and Raman experimental data and their temperature behavior was explored in solid and liquid phases of oxygen and nitrogen at ambient pressure. The character of the short-range orientational order was established in the β-nitrogen based on our theoretical analysis consistent with the present experimental results. We also present the explanation of the origin of pressure-caused changes in the frequency of the Raman vibron mode of solid oxygen at low temperatures.

Spatial Distortion of Vibration Modes via Magnetic Correlation of Impurities

Science.gov (United States)

Krasniqi, F. S.; Zhong, Y.; Epp, S. W.; Foucar, L.; Trigo, M.; Chen, J.; Reis, D. A.; Wang, H. L.; Zhao, J. H.; Lemke, H. T.; Zhu, D.; Chollet, M.; Fritz, D. M.; Hartmann, R.; Englert, L.; Strüder, L.; Schlichting, I.; Ullrich, J.

2018-03-01

Long wavelength vibrational modes in the ferromagnetic semiconductor Ga0.91 Mn0.09 As are investigated using time resolved x-ray diffraction. At room temperature, we measure oscillations in the x-ray diffraction intensity corresponding to coherent vibrational modes with well-defined wavelengths. When the correlation of magnetic impurities sets in, we observe the transition of the lattice into a disordered state that does not support coherent modes at large wavelengths. Our measurements point toward a magnetically induced broadening of long wavelength vibrational modes in momentum space and their quasilocalization in the real space. More specifically, long wavelength vibrational modes cannot be assigned to a single wavelength but rather should be represented as a superposition of plane waves with different wavelengths. Our findings have strong implications for the phonon-related processes, especially carrier-phonon and phonon-phonon scattering, which govern the electrical conductivity and thermal management of semiconductor-based devices.

Photon-phonon interaction in photonic crystals

International Nuclear Information System (INIS)

Ueta, T

2010-01-01

Photon-phonon interaction on the analogy of electron-phonon interaction is considered in one-dimensional photonic crystal. When lattice vibration is artificially introduced to the photonic crystal, a governing equation of electromagnetic field is derived. A simple model is numerically analysed and the following novel phenomena are found out. The lattice vibration generates the light of frequency which added the integral multiple of the vibration frequency to that of the incident wave and also amplifies the incident wave resonantly. On a resonance, the amplification factor increases very rapidly with the number of layers increases. Resonance frequencies change with the phases of lattice vibration. The amplification phenomenon is analytically discussed for low frequency of the lattice vibration.

A version of the Quasiparticle-Phonon Nuclear Model for doubly-even well-deformed nuclei

International Nuclear Information System (INIS)

Soloviev, V.G.

1992-06-01

The basic assumptions concerning the Quasiparticle-Phonon Nuclear Model are formulated and the mathematical apparatus is developed. The Hamiltonian, containing a finite-rank separable isoscalar and isovector multipole, a spin-multipole and a tensor particle-hole as well as particle-particle interactions transforms to a form containing quasiparticle, phonon and quasiparticle-phonon interactions. The general RPA equation is derived and the particular cases are discussed. The very complex interaction does not complicate the description of the fragmentation one-phonon states. It is shown that the three-phonon terms added to the one- and two-phonon terms in the wave function lead to an additional small shift of the two-phonon poles in the secular equation. The influence of the density-dependent separable interaction on the vibrational states is small. A common description of the collective, weakly collective and two-quasiparticle states in doubly-even well-deformed nuclei is obtained. (author)

Phonon broadening in high entropy alloys

Science.gov (United States)

Körmann, Fritz; Ikeda, Yuji; Grabowski, Blazej; Sluiter, Marcel H. F.

2017-09-01

Refractory high entropy alloys feature outstanding properties making them a promising materials class for next-generation high-temperature applications. At high temperatures, materials properties are strongly affected by lattice vibrations (phonons). Phonons critically influence thermal stability, thermodynamic and elastic properties, as well as thermal conductivity. In contrast to perfect crystals and ordered alloys, the inherently present mass and force constant fluctuations in multi-component random alloys (high entropy alloys) can induce significant phonon scattering and broadening. Despite their importance, phonon scattering and broadening have so far only scarcely been investigated for high entropy alloys. We tackle this challenge from a theoretical perspective and employ ab initio calculations to systematically study the impact of force constant and mass fluctuations on the phonon spectral functions of 12 body-centered cubic random alloys, from binaries up to 5-component high entropy alloys, addressing the key question of how chemical complexity impacts phonons. We find that it is crucial to include both mass and force constant fluctuations. If one or the other is neglected, qualitatively wrong results can be obtained such as artificial phonon band gaps. We analyze how the results obtained for the phonons translate into thermodynamically integrated quantities, specifically the vibrational entropy. Changes in the vibrational entropy with increasing the number of elements can be as large as changes in the configurational entropy and are thus important for phase stability considerations. The set of studied alloys includes MoTa, MoTaNb, MoTaNbW, MoTaNbWV, VW, VWNb, VWTa, VWNbTa, VTaNbTi, VWNbTaTi, HfZrNb, HfMoTaTiZr.

Surface phonons

CERN Document Server

Wette, Frederik

1991-01-01

In recent years substantial progress has been made in the detection of surface phonons owing to considerable improvements in inelastic rare gas scattering tech­ niques and electron energy loss spectroscopy. With these methods it has become possible to measure surface vibrations in a wide energy range for all wave vectors in the two-dimensional Brillouin zone and thus to deduce the complete surface phonon dispersion curves. Inelastic atomic beam scattering and electron energy loss spectroscopy have started to play a role in the study of surface phonons similar to the one played by inelastic neutron scattering in the investigation of bulk phonons in the last thirty years. Detailed comparison between experimen­ tal results and theoretical studies of inelastic surface scattering and of surface phonons has now become feasible. It is therefore possible to test and to improve the details of interaction models which have been worked out theoretically in the last few decades. At this point we felt that a concise, co...

Interrelation between the isoscalar octupole phonon and the proton-neutron mixed-symmetry quadrupole phonon in near-spherical nuclei

International Nuclear Information System (INIS)

Smirnova, N.A.; Van Isacker, P.; Smirnova, N.A; Pietralla, N.; Yale Univ., New Haven, CT; Mizusaki, T.

2000-01-01

The interrelation between the octupole phonon and the low-lying proton-neutron mixed-symmetry quadrupole in near-spherical nuclei is investigated. The one-phonon states decay by collective E3 and E2 transitions to the ground state and by relatively strong E1 and M1 transitions to the isoscalar 2 + 1 state. We apply the proton-neutron version of the Interacting Boson Model including quadrupole and octupole bosons (sdf-IBM-2). Two F-spin symmetric dynamical symmetry limits of the model, namely the vibrational and the γ-unstable ones, are considered. We derived analytical formulae for excitation energies as well as B(E1), B(M1), B(E2), and B(E3) values for a number of transitions between low-lying states. The model well reproduces many known transition strengths in the near spherical nuclei 142 Ce and 94 Mo. (authors)

Interrelation between the isoscalar octupole phonon and the proton-neutron mixed-symmetry quadrupole phonon in near-spherical nuclei

Energy Technology Data Exchange (ETDEWEB)

Smirnova, N.A.; Van Isacker, P. [Grand Accelerateur National d' Ions Lourds (GANIL), 14 - Caen (France); Smirnova, N.A [Paris-11 Univ., 91 - Orsay (France). Centre de Spectrometrie Nucleaire et de Spectrometrie de Masse]|[Institute for Nuclear Physics, Moscow State University (Russian Federation); Pietralla, N. [Institut fur Kernphysik, Universitat zu Koln (Germany)]|[Yale Univ., New Haven, CT (United States). Wright Nuclear Structure Lab; Mizusaki, T. [Tokyo Univ. (Japan). Dept. of Physics

2000-07-01

The interrelation between the octupole phonon and the low-lying proton-neutron mixed-symmetry quadrupole in near-spherical nuclei is investigated. The one-phonon states decay by collective E3 and E2 transitions to the ground state and by relatively strong E1 and M1 transitions to the isoscalar 2{sup +}{sub 1} state. We apply the proton-neutron version of the Interacting Boson Model including quadrupole and octupole bosons (sdf-IBM-2). Two F-spin symmetric dynamical symmetry limits of the model, namely the vibrational and the {gamma}-unstable ones, are considered. We derived analytical formulae for excitation energies as well as B(E1), B(M1), B(E2), and B(E3) values for a number of transitions between low-lying states. The model well reproduces many known transition strengths in the near spherical nuclei {sup 142}Ce and {sup 94}Mo. (authors)

Influence of the Pauli principle on the two-phonon states

International Nuclear Information System (INIS)

Djolos, R.V.; Molina, J.L.; Soloviev, V.G.

1979-01-01

It is shown that the commutation relations between quasiparticles forming phonons can correctly be taken into account within the quasiparticle-phonon nuclear model. The case of the even-even deformed nuclei is studied. Exact and approximate secular equations are obtained. The corrections arising due to the Pauli principle are shown to be large for the two-phonon components of the wave functions, when the phonons are identical. The influence of the Pauli principle on the energies of the two-phonon states and radiative strength functions requires further investigation [ru

Vibration dynamics of single atomic nanocontacts

International Nuclear Information System (INIS)

Khater, A; Bourahla, B; Tigrine, R

2007-01-01

The motivation for this work is to introduce a model for an atomic nanocontact, whereby its mechanical properties can be analysed via the local spectra. The model system consists of two sets of triple parallel semi-infinite atomic chains joined by a single atom in between. We calculate the vibration spectra and the local densities of vibration states, in the harmonic approximation, for the irreducible set of sites that constitute the nanocontact domain. The nanocontact observables are numerically calculated for different cases of elastic hardening and softening, to investigate how the local dynamics can respond to changes in the microscopic environment on the domain. We have also calculated the phonon scattering and coherent conductance at the nanocontact, derived in a Landauer-Buettiker matrix approach. The analysis of the spectra, of the densities of vibration states, and of the phonon conductance, identifies characteristic features and demonstrates the central role of a core subset of sites in the nanocontact domain

Sound and heat revolutions in phononics

Science.gov (United States)

Maldovan, Martin

2013-11-01

The phonon is the physical particle representing mechanical vibration and is responsible for the transmission of everyday sound and heat. Understanding and controlling the phononic properties of materials provides opportunities to thermally insulate buildings, reduce environmental noise, transform waste heat into electricity and develop earthquake protection. Here I review recent progress and the development of new ideas and devices that make use of phononic properties to control both sound and heat. Advances in sonic and thermal diodes, optomechanical crystals, acoustic and thermal cloaking, hypersonic phononic crystals, thermoelectrics, and thermocrystals herald the next technological revolution in phononics.

Two-phonon E1 excitations in {sup 40}Ca and {sup 140}Ce

Energy Technology Data Exchange (ETDEWEB)

Baldenhofer, Martin; Derya, Vera; Endres, Janis; Hennig, Andreas; Zilges, Andreas [Institute for Nuclear Physics, University of Cologne (Germany); Loeher, Bastian; Savran, Deniz [ExtreMe Matter Institute EMMI and Research Division, GSI, Darmstadt (Germany); Frankfurt Institute for Advanced Studies FIAS, Frankfurt (Germany); Tornow, Werner [Department of Physics, Duke University (United States)

2014-07-01

The coupling of a quadrupole- and an octupole-vibrational excitation results in a quintuplet of J{sup π} = 1{sup -} to 5{sup -} vibrational states with two-phonon structure. Candidates for harmonic two-phonon excitations are found energetically in the vicinity of the sum of the constituent excitation energies. Their structure can be tested by studying their γ-decay behavior in detail. We studied candidates for two-phonon E1 excitations in two nuclei of different mass, namely {sup 40}Ca and {sup 140}Ce, with the high-efficiency γ{sup 3} setup [1] at the High Intensity γ-ray Source facility at the Triangle Universities Nuclear Laboratory in Durham, USA. The mono-energetic γ-ray beam allows for a selective excitation of the states of interest. In combination with the γ{sup 3} setup, on the one hand, a high efficiency for γ-ray detection is achieved by an array of HPGe and LaBr detectors, and, on the other hand, the analysis of γ-γ coincidences is possible.

Effect of Pauli principle accounting an the two-phonon states of spherical nuclej

International Nuclear Information System (INIS)

Solov'ev, V.G.; Stoyanov, Ch.; Nikolaeva, R.

1983-01-01

The effect of account for the Pauli principle in two-phonon components of the wave functions on low-lying collective states of even-even spherical nuclei is investigated. The calculations are performed for sup(114, 116)Sn and sup(142, 144, 146, 148)Sm. The account of the Pauli principle is shown to exert a weak effect on the states with large one-phonon or two-phonon components. It is concluded that in some spherical nuclei sufficiently pure two-phonon states may exist

Coherent lattice vibrations in superconductors

International Nuclear Information System (INIS)

Kadin, Alan M.

2008-01-01

A recent analysis has shown that the pair wavefunction within the BCS theory may be represented in real-space as a spherical electronic orbital (on the scale of the coherence length ξ 0 ) coupled to a standing-wave lattice vibration with wavevector 2k F and a near-resonant phonon frequency. The present paper extends this picture to a coherent pattern of phonon standing-waves on the macroscopic scale, with electrons forming Bloch waves and an energy gap much like those in the classic band theory of crystals. These parallel planes form a diffractive waveguide permitting electron waves to traveling parallel to the planes, corresponding to lossless supercurrent. A similar picture may be extended to unconventional superconductors such as the cuprates, with an array of standing spin waves rather than phonons. Such coherent lattice vibrations should be universal indicators of the superconducting state, and should be observable below T c using X-ray and neutron diffraction techniques. Further implications of this picture are discussed

Basic equations of the quasiparticle-phonon nuclear model with the effects due to the Pauli principle and the phonon ground state correlations

International Nuclear Information System (INIS)

Nguyen Dinh Dang; Voronov, V.V.

1983-01-01

A system of basic equations of the quasiparticle-phonon model is obtained for energies and a structure of excited states described by the wave functions containing one- and two-phonon components. The effects due to the Pauli principle for two-phonon components and the phonon ground state correlations of a spherical nucleus are taken here into account. The quantitative estimations of these effects are given by a simplified scheme. The relation between these equations with the results from other theoretical approaches is discussed

Study on frugmentation of one-quasiparticle and one-phonon states in the quasiparticle-phonon nuclear model

International Nuclear Information System (INIS)

Solov'ev, V.G.

1980-01-01

The general assumptions of the quasiparticle-phonon nuclear model are given. This model describes the few-quasiparticle components of the wave functions at low, intermediate and high excitation energies. The method of strength functions which plays a key role in describing complex nuclei is also presented. A further development of the quasiparticle-phonon nuclear model is outlined. The fragmentation of one-quasiparticle and one-phonon states over nuclear levels is studied. The results on the fragmentation of deep hole states in spherical nuclei are presented, which describe well the experimental data. The neutron strength functions and their spin dependence are calculated. A good agreement with experiment is obtained. The energies and widths of the giant resonances are calculated in spherical and deformed nuclei. The information on the many-quasiparticle components of excited state wave functions is shown to be very scarce. The necessity of studying the few-quasiparticle configurations is pointed out

Phonon scattering in quasi-one-dimensional structure

Energy Technology Data Exchange (ETDEWEB)

Bourahla, B., E-mail: bourahla_boualem@yahoo.f [Laboratoire de Physique et Chimie Quantique, Universite de Tizi Ouzou, BP 17 RP 15000 (Algeria); Laboratoire de Physique de l' etat Condense, UMR 6087, Universite du Maine, 72085 Le Mans (France); Nafa, O. [Laboratoire de Physique et Chimie Quantique, Universite de Tizi Ouzou, BP 17 RP 15000 (Algeria); Tigrine, R. [Laboratoire de Physique et Chimie Quantique, Universite de Tizi Ouzou, BP 17 RP 15000 (Algeria); Laboratoire de Physique de l' etat Condense, UMR 6087, Universite du Maine, 72085 Le Mans (France)

2011-02-15

We introduce a model to study a symmetric nanocontact, whereby its mechanical properties can be analyzed via the vibration spectra. The model system consists of two groups of triple semi-infinite atomic chains joined by atoms in between. The matching method theoretical approach is used to calculate the coherent reflection and transmission scattering probabilities, the characteristic vibration Green functions and densities of states (DOS), for the vibration components of the individual atomic sites that constitute a complete representation of the nanocontact domain boundaries. The nanocontact observables are numerically calculated for different cases of elastic hardening and softening, to investigate how the local dynamics can respond to changes in the microscopic environment on the nanocontact domain. The analysis of the vibration spectra and the DOS demonstrate the fluctuations, related to Fano resonances, due to the coherent coupling between traveling phonons and the localized vibration modes in the nanocontact domain.

Investigation of two-phonon 1{sup -} states in {sup 40}Ca and {sup 140}Ce with the γ{sup 3} setup at HIγS

Energy Technology Data Exchange (ETDEWEB)

Wilhelmy, Julius; Derya, Vera; Endres, Janis; Hennig, Andreas; Zilges, Andreas [Institute for Nuclear Physics, University of Cologne (Germany); Loeher, Bastian; Savran, Deniz [ExtreMe Matter Institute EMMI and Research Division, GSI, Darmstadt (Germany); Frankfurt Institute for Advanced Studies FIAS, Frankfurt (Germany); Tornow, Werner [Department of Physics, Duke University (United States)

2015-07-01

The harmonic coupling of a quadrupole and an octupole vibrational excitation results in a quintuplet of J{sup π}=1{sup -} to 5{sup -} vibrational states at the sum of the constituent excitation energies. Their detailed γ-decay behavior can provide information about their structure. For {sup 40}Ca and {sup 140}Ce, possible two-phonon E1 excitations were studied with the high-efficiency γ{sup 3} setup at the High Intensity γ-ray Source facility at TUNL in Durham, USA. The γ{sup 3} setup consists of an array of HPGe and LaBr{sub 3} detectors with high efficiency and enables the measurement of γ-γ coincidences. The determination of the B(E2; 1{sub 1}{sup -} → 3{sub 1}{sup -}) value was possible showing a dominant two-phonon character of the 1{sup -}{sub 1} state in {sup 40}Ca. For the same decay in {sup 140}Ce, an upper limit for the reduced transition probability can be given and an unexpected E1 decay to the 0{sub 2}{sup +} state was observed. The experimental results are presented and discussed with regard to systematics and theoretical predictions.

Role of quasiparticle x phonon components in gamma-decay of hogh-lying states

International Nuclear Information System (INIS)

Ponomarev, V.Yu.; Solov'ev, V.G.; Vdovin, A.I.; Stoyanov, Ch.

1986-01-01

In the framework of quasiparticle-phonon model of a nucleus the probabilities of gamma-transitions (E1, M1, E2) from a high-lying resonance-similar structure to the excitation of neutron hole state (lg 9/2 ) -1 of 111 Sn nucleus to the main and low-excited one-quasiparticle states have been calculated. Wave function of a highly excited state comprised the components ''quasiparticle x phonon'' and ''quasiparticle x two phonons''. For E1-transitions 9/2 + → 11/2 1 - the main contribution to the transition is made by one-quasiparticle components of wave functions of the initial and final states. E2-transition 9/2 + → 7/2 g,s + takes place at the expense of impurities in ''quasiparticle x phonon'' states. For M1-transition from the states 9/2 + to the main one a strong destructive interference of contributions of one-quasiparticle and ''quasiparticle x phonon'' components is observed. Thus it is shown that components ''quasiparticle x phonon'' may play the major role in correct description of gamma-transitions from high-lying one-particle or low-lying hole states

Basic equations of quasiparticle-phonon model of nucleus with account of Pauli principle and phonons interactions in ground state

International Nuclear Information System (INIS)

Voronov, V.V.; Dang, N.D.

1984-01-01

the system of equations, enabling to calculate the energy and the structure of excited states, described by the wave function, containing one- and two-phon components was obtained in the framework of quasiparticlephonon model. The requirements of Pauli principle for two-phonon components and phonon correlation in the ground nucleus state are taken into account

Strongly correlated quasi-one-dimensional bands: Ground states, optical absorption, and phonons

International Nuclear Information System (INIS)

Campbell, D.K.; Gammel, J.T.; Loh, E.Y. Jr.

1989-01-01

Using the Lanczos method for exact diagonalization on systems up to 14 sites, combined with a novel ''phase randomization'' technique for extracting more information from these small systems, we investigate several aspects of the one-dimensional Peierls-Hubbard Hamiltonian, in the context of trans-polyacetylene: the dependence of the ground state dimerization on the strength of the electron-electron interactions, including the effects of ''off-diagonal'' Coulomb terms generally ignored in the Hubbard model; the phonon vibrational frequencies and dispersion relations, and the optical absorption properties, including the spectrum of absorptions as a function of photon energy. These three different observables provide considerable insight into the effects of electron-electron interactions on the properties of real materials and thus into the nature of strongly correlated electron systems. 29 refs., 11 figs

Mapping quadrupole collectivity in the Cd isotopes: The breakdown of harmonic vibrational motion

Science.gov (United States)

Garrett, P. E.; Green, K. L.; Bangay, J.; Varela, A. Diaz; Sumithrarachchi, C. S.; Austin, R. A. E.; Ball, G. C.; Bandyopadhyay, D. S.; Bianco, L.; Colosimo, S.; Cross, D. S.; Demand, G. A.; Finlay, P.; Garnsworthy, A. B.; Grinyer, G. F.; Hackman, G.; Kulp, W. D.; Leach, K. G.; Morton, A. C.; Orce, J. N.; Pearson, C. J.; Phillips, A. A.; Schumaker, M. A.; Svensson, C. E.; Triambak, S.; Wong, J.; Wood, J. L.; Yates, S. W.

2011-10-01

The stable Cd isotopes have long been used as paradigms for spherical vibrational motion. Extensive investigations with in-beam γ spectroscopy have resulted in very-well-established level schemes, including many lifetimes or lifetime limits. A programme has been initiated to complement these studies with very-high-statistics β decay using the 8π spectrometer at the TRIUMF radioactive beam facility. The decays of 112In and 112Ag have been studied with an emphasis on the observation of, or the placement of stringent limits on, low-energy branches between potential multi-phonon levels. A lack of suitable 0+ or 2+ three-phonon candidates has been revealed. Further, the sum of the B(E2) strength from spin 0+ and 2+ states up to 3 MeV in excitation energy to the assigned two-phonon levels falls far short of the harmonic-vibrational expectations. This lack of strength points to the failing of collective models based on vibrational phonon structures.

Phonon-enhanced crystal growth and lattice healing

Science.gov (United States)

Buonassisi, Anthony; Bertoni, Mariana; Newman, Bonna

2013-05-28

A system for modifying dislocation distributions in semiconductor materials is provided. The system includes one or more vibrational sources for producing at least one excitation of vibrational mode having phonon frequencies so as to enhance dislocation motion through a crystal lattice.

Rotations as coherent states of SU(6) quadrupole phonons in the SU(3) limit

Energy Technology Data Exchange (ETDEWEB)

Canto, L F [Rio de Janeiro Univ. (Brazil). Inst. de Fisica; Paar, V [Zagreb Univ. (Yugoslavia). Prirodoslovno Matematicki Fakultet; Rio de Janeiro Univ. (Brazil). Inst. de Fisica)

1981-06-18

Analytic expressions for the wavefunctions of the ground-state rotational band for even and odd nuclei are derived in terms of spherical quadrupole phonons truncated at N(max) phonons. For N(max) ..-->.. infinite the Bohr-Mottelson rotational states are generated as an asymptotic gaussian distribution of quadrupole phonons.

Electromagnetic excitation of phonons at C(001) surfaces

International Nuclear Information System (INIS)

Perez-Sanchez, F L; Perez-Rodriguez, F

2009-01-01

The photon-phonon coupling at C(001)-(2 x 1) surfaces and its manifestation in far-infrared reflectance anisotropy spectra (FIR-RAS) are theoretically investigated. We solve the coupled system of equations for the electromagnetic field and lattice vibrations, described within the adiabatic bond charge model (ABCM), with the method of expansion into bulk phonon and photon modes. The calculated FIR-RAS exhibit resonances associated with zone-center surface phonons in good agreement with available HREELS experiments and predictions of vibrational modes for diamond (001)-(2 x 1) surfaces from ABCM and ab initio calculations. Interestingly, the reflectance anisotropy spectra for a C(001)-(2 x 1) surface turn out to be qualitatively different from the spectra for a Si(001)-(2 x 1) surface, reported previously.

Electromagnetic excitation of phonons at C(001) surfaces

Energy Technology Data Exchange (ETDEWEB)

Perez-Sanchez, F L [Escuela de Ciencias, Universidad Autonoma ' Benito Juarez' de Oaxaca, Avenida Universidad S/N, Ex-Hacienda de Cinco Senores, Ciudad Universitaria, Oaxaca de Juarez, Oaxaca, 68120 (Mexico); Perez-Rodriguez, F, E-mail: fperez@sirio.ifuap.buap.m [Instituto de Fisica, Benemerita Universidad Autonoma de Puebla, Apartado Post. J-48, Puebla 72570 (Mexico)

2009-09-02

The photon-phonon coupling at C(001)-(2 x 1) surfaces and its manifestation in far-infrared reflectance anisotropy spectra (FIR-RAS) are theoretically investigated. We solve the coupled system of equations for the electromagnetic field and lattice vibrations, described within the adiabatic bond charge model (ABCM), with the method of expansion into bulk phonon and photon modes. The calculated FIR-RAS exhibit resonances associated with zone-center surface phonons in good agreement with available HREELS experiments and predictions of vibrational modes for diamond (001)-(2 x 1) surfaces from ABCM and ab initio calculations. Interestingly, the reflectance anisotropy spectra for a C(001)-(2 x 1) surface turn out to be qualitatively different from the spectra for a Si(001)-(2 x 1) surface, reported previously.

The A1g mode in the Hg-1201 phonon spectrum as an indicator of N→S transition

International Nuclear Information System (INIS)

Dovgij, Ya.

2011-01-01

By analyzing the structure of and the temperature changes in HgBa 2 CuO 4+y phonon spectra, the electron-phonon coupling constant g has been determined for the first time. It is shown that this compound is a superconductor with strong coupling. A frequency interval around 60.4 MeV in the HgBa 2 CuO 4+y phonon spectrum, which may be classed as a 'soft mode', is revealed. The dominant partial contribution to the density of phonon states in that spectral range is found to be given by O(2) atomic vibrations.

Manipulation of Squeezed Two-Phonon Bound States using Femtosecond Laser Pulses

Directory of Open Access Journals (Sweden)

Nakamura Kazutaka G.

2013-03-01

Full Text Available Two-phonon bound states have been excited exclusively in ZnTe(110 via impulsive stimulated second-order Raman scattering, essentially being squeezed states due to phase coherent excitation of two identical components anticorrelated in the wave vector. By using coherent control technique with a pair of femtosecond laser pulses, the manipulation of squeezed states has been demonstrated in which both the amplitude and lifetime of coherent oscillations of squeezed states are modulated, indicating the feasibility to control the quantum noise and the quantum nature of phonon squeezed states, respectively.

Phonon-assisted tunneling and its dependence on pressure

International Nuclear Information System (INIS)

Roy, P.N.; Singh, A.P.; Thakur, B.N.

1999-01-01

First the mechanism of phonon-assisted tunneling has been investigated. The indirect tunnel current density has been computed after taking the amplitude of the time dependent perturbation as the energy of the lattice vibration. Later the pressure dependence of the phonon-assisted tunnel current has been computed using Payne's expression for the dependence of phonon frequency on pressure. Very good qualitative agreements are obtained between predicted and observed characteristics. (author)

Uncertainty in the inelastic resonant scattering assisted by phonons

International Nuclear Information System (INIS)

Garcia, N.; Garcia-Sanz, J.; Solana, J.

1977-01-01

We have analyzed the inelastic minima observed in new results of He atoms scattered from LiF(001) surfaces. This is done considering bound state resonance processes assisted by phonons. The analysis presents large uncertainties. In the range of uncertainty, we find two ''possible'' bands associated with the vibrations of F - and Li + , respectively. Many more experimental data are necessary to confirm the existence of these processes

Molecular Solid EOS based on Quasi-Harmonic Oscillator approximation for phonons

Energy Technology Data Exchange (ETDEWEB)

Menikoff, Ralph [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2014-09-02

A complete equation of state (EOS) for a molecular solid is derived utilizing a Helmholtz free energy. Assuming that the solid is nonconducting, phonon excitations dominate the specific heat. Phonons are approximated as independent quasi-harmonic oscillators with vibrational frequencies depending on the specific volume. The model is suitable for calibrating an EOS based on isothermal compression data and infrared/Raman spectroscopy data from high pressure measurements utilizing a diamond anvil cell. In contrast to a Mie-Gruneisen EOS developed for an atomic solid, the specific heat and Gruneisen coefficient depend on both density and temperature.

Phonon thermal transport through tilt grain boundaries in strontium titanate

Energy Technology Data Exchange (ETDEWEB)

Zheng, Zexi; Chen, Xiang; Yang, Shengfeng; Xiong, Liming; Chen, Youping [Department of Mechanical and Aerospace Engineering, University of Florida, Gainesville, Florida 32611 (United States); Deng, Bowen; Chernatynskiy, Aleksandr [Department of Materials Science and Engineering, University of Florida, Gainesville, Florida 32611 (United States)

2014-08-21

In this work, we perform nonequilibrium molecular dynamics simulations to study phonon scattering at two tilt grain boundaries (GBs) in SrTiO{sub 3}. Mode-wise energy transmission coefficients are obtained based on phonon wave-packet dynamics simulations. The Kapitza conductance is then quantified using a lattice dynamics approach. The obtained results of the Kapitza conductance of both GBs compare well with those obtained by the direct method, except for the temperature dependence. Contrary to common belief, the results of this work show that the optical modes in SrTiO{sub 3} contribute significantly to phonon thermal transport, accounting for over 50% of the Kapitza conductance. To understand the effect of the GB structural disorder on phonon transport, we compare the local phonon density of states of the atoms in the GB region with that in the single crystalline grain region. Our results show that the excess vibrational modes introduced by the structural disorder do not have a significant effect on phonon scattering at the GBs, but the absence of certain modes in the GB region appears to be responsible for phonon reflections at GBs. This work has also demonstrated phonon mode conversion and simultaneous generation of new modes. Some of the new modes have the same frequency as the initial wave packet, while some have the same wave vector but lower frequencies.

Phonon thermal transport through tilt grain boundaries in strontium titanate

International Nuclear Information System (INIS)

Zheng, Zexi; Chen, Xiang; Yang, Shengfeng; Xiong, Liming; Chen, Youping; Deng, Bowen; Chernatynskiy, Aleksandr

2014-01-01

In this work, we perform nonequilibrium molecular dynamics simulations to study phonon scattering at two tilt grain boundaries (GBs) in SrTiO 3 . Mode-wise energy transmission coefficients are obtained based on phonon wave-packet dynamics simulations. The Kapitza conductance is then quantified using a lattice dynamics approach. The obtained results of the Kapitza conductance of both GBs compare well with those obtained by the direct method, except for the temperature dependence. Contrary to common belief, the results of this work show that the optical modes in SrTiO 3 contribute significantly to phonon thermal transport, accounting for over 50% of the Kapitza conductance. To understand the effect of the GB structural disorder on phonon transport, we compare the local phonon density of states of the atoms in the GB region with that in the single crystalline grain region. Our results show that the excess vibrational modes introduced by the structural disorder do not have a significant effect on phonon scattering at the GBs, but the absence of certain modes in the GB region appears to be responsible for phonon reflections at GBs. This work has also demonstrated phonon mode conversion and simultaneous generation of new modes. Some of the new modes have the same frequency as the initial wave packet, while some have the same wave vector but lower frequencies

Study of phonon-induced energy transfer processes in crystals using heat pulses

International Nuclear Information System (INIS)

Burns, A.R.

1978-03-01

The artificial generation of acoustic lattice vibrations by a heat pulse technique is developed in order to probe phonon interactions in molecular crystals. Specifically, the phonon-assisted delocalization of ''trapped'' excited triplet state energy in the aromatic crystal 1,2,4,5-tetrachlorobenzene (TCB) is studied in a quantitative manner by monitoring the time-resolved decrease in trap phosphorescence intensity due to the propagation of a well-defined heat pulse. The excitation distribution in a single trap system, such as the X-trap in neat h 2 -TCB, is discussed in terms of the energy partition function relating the temperature dependence of the trap phosphorescence intensity to the trap depth, exciton bandwidth, and the number of exciton band states. In a multiple trap system, such as the hd and h 2 isotopic traps in d 2 -TCB, the excitation distribution is distinctly non-Boltzmann; yet it may be discussed in terms of a preferential energy transfer between the two trap states via the exciton band. For both trap systems, a previously developed kinetic model is presented which relates the efficiency of trap-band energy exchange to the density of band states and the trap-phonon coupling matrix elements. A bolometric technique for determining the thermal response time of the heater/crystal system is presented. The phonon mean free path in the crystal is size-limited, and the heater/crystal boundary conductance is reasonably close to previously reported values. The theory of heat pulse phonon spectroscopy is presented and discussed in terms of black-body phonon radiation

Structural, electronic and vibrational properties of lanthanide monophosphide at high pressure

Energy Technology Data Exchange (ETDEWEB)

Panchal, J. M., E-mail: amitjignesh@yahoo.co.in [Government Engineering College, Gandhinagar382028, Gujarat (India); Department of Physics, University School of Sciences, Gujarat University, Ahmedabad 380009, Gujarat (India); Joshi, Mitesh [Government Polytechnic for Girls, Athwagate, Surat395001, Gujarat (India); Gajjar, P. N., E-mail: pngajjar@rediffmail.com [Department of Physics, University School of Sciences, Gujarat University, Ahmedabad 380009, Gujarat (India)

2016-05-06

A first-principles plane wave self-consistent method with the ultra-soft-pseudopotential scheme in the framework of the density functional theory (DFT) is performed to study structural, electronic and vibrational properties of LaP for Rock-salt (NaCl/Bl) and Cesium-chloride (CsCl/B2) phases. The instability of Rock-salt (NaCl/Bl) phases around the transition is discussed. Conclusions based on electronic energy band structure, density of state, phonon dispersion and phonon density of states in both phases are outlined. The calculated results are consistence and confirm the successful applicability of quasi-harmonic phonon theory for structural instability studies for the alloys.

Structural, electronic and vibrational properties of lanthanide monophosphide at high pressure

International Nuclear Information System (INIS)

Panchal, J. M.; Joshi, Mitesh; Gajjar, P. N.

2016-01-01

A first-principles plane wave self-consistent method with the ultra-soft-pseudopotential scheme in the framework of the density functional theory (DFT) is performed to study structural, electronic and vibrational properties of LaP for Rock-salt (NaCl/Bl) and Cesium-chloride (CsCl/B2) phases. The instability of Rock-salt (NaCl/Bl) phases around the transition is discussed. Conclusions based on electronic energy band structure, density of state, phonon dispersion and phonon density of states in both phases are outlined. The calculated results are consistence and confirm the successful applicability of quasi-harmonic phonon theory for structural instability studies for the alloys.

Ab initio study of structural, elastic, and vibrational properties of transition-metal disilicides NbSi2 and TaSi2 in hexagonal C40 structure

Science.gov (United States)

Ertürk, Esra; Gürel, Tanju

2018-05-01

We present an ab initio study of structural, elastic and vibrational properties of transition-metal disilicides NbSi2 and TaSi2. The calculations have been carried out within the density-functional theory and linear-response formalism using norm-conserving pseudopotentials and a plane-wave basis. The calculated lattice parameters, bulk moduli, and elastic constants agree well with previous theoretical and experimental results. The calculated phonon frequencies at the Brillouin zone center are in good agreement with the reported Raman spectra and provide reference values for the future infrared and neutron phonon measurements. Phonon dispersion relations, mode Grüneisen parameters, and total and partial phonon density of states are also discussed. Mode Grüneisen parameters of NbSi2 and TaSi2 at Brillouin zone center show similar trends and all values are found to be positive. From phonon dispersion relations and phonon density of states, we have found a gap around 200 cm-1 for TaSi2, where the frequencies below this gap mainly belong to Ta vibrations and frequencies above the gap is mainly related with Si vibrations. In the case of NbSi2, there is no such gap and both Nb and Si atoms contribute to the phonon density of states in an energy range of 150-270 cm-1.

On the absence of reverse running waves in general displacement of lattice vibration in popular books on solid state theory

Science.gov (United States)

Xia, Shangda; Lou, Liren

2018-05-01

In this article we point out that there is a deficiency in the presentation of the general solution of harmonic lattice vibration, the omission of half of the allowed running waves, in many popular textbooks published since 1940, e.g. O Madelung’s 1978 Introduction to Solid-State Theory and J Solyom’s 2007 Fundamentals of the Physics of Solids, vol 1. So we provide a revised presentation, which gives a complete general solution and demonstrates clearly that the conventional complex normal coordinate should be a superposition of two coordinates (multiplied by a factor \\sqrt{1/2}) of running waves travelling oppositely along q and -q, not only a coordinate of a unidirectional running wave as many books considered. It is noticed that the book, Quantum Theory of the Solid State: An Introduction, by L Kantorovich, published in 2004, and the review article, ‘Phonons in perfect crystals’ by W Cochran and R A Cowly, published in 1967, for a one-dimensional single-atom chain gave correct (but not normalized) formulae for the general solution of lattice vibration and the normal coordinate. However, both of them stated still that each normal coordinate describes an independent mode of vibration, which in our opinion needs to be further discussed. Moreover, in books such as Fundamentals of the Physics of Solids, vol 1, by J Solyom, and The Physics and Chemistry of Solids, by S R Elliott, published in 2006 and 2007, respectively, the reverse waves were still lost. Hence, we also discuss a few related topics. In quantization of the lattice vibration, the introduction of the conventional two (not one) independent phonon operators in a normal coordinate is closely related to the ‘independence’ of the two constituent waves mentioned above, and we propose a simple propositional relation between the phonon operator and the corresponding running wave coordinate. Moreover, only the coordinate of the superposition wave (not the running wave), as the normal coordinate can

Renormalization effects and phonon density of states in high temperature superconductors

Directory of Open Access Journals (Sweden)

Vinod Ashokan

2013-02-01

Full Text Available Using the versatile double time thermodynamic Green's function approach based on many body theory the renormalized frequencies, phonon energy line widths, shifts and phonon density of states (PDOS are investigated via a newly formulated Hamiltonian (does not include BCS type Hamiltonian that includes the effects of electron-phonon, anharmonicities and that of isotopic impurities. The automatic appearance of pairons, temperature, impurity and electron-phonon coupling of renormalized frequencies, widths, shifts and PDOS emerges as a characteristic feature of present theory. The numerical investigations on PDOS for the YBa2Cu3O7 − δ crystal predicts several new feature of high temperature superconductors (HTS and agreements with experimental observations.

Microscopic theory of multiple-phonon-mediated dephasing and relaxation of quantum dots near a photonic band gap

Science.gov (United States)

Roy, Chiranjeeb; John, Sajeev

2010-02-01

We derive a quantum theory of the role of acoustic and optical phonons in modifying the optical absorption line shape, polarization dynamics, and population dynamics of a two-level atom (quantum dot) in the “colored” electromagnetic vacuum of a photonic band-gap (PBG) material. This is based on a microscopic Hamiltonian describing both radiative and vibrational processes quantum mechanically. We elucidate the extent to which phonon-assisted decay limits the lifetime of a single photon-atom bound state and derive the modified spontaneous emission dynamics due to coupling to various phonon baths. We demonstrate that coherent interaction with undamped phonons can lead to an enhanced lifetime of a photon-atom bound state in a PBG. This results in reduction of the steady-state atomic polarization but an increase in the fractionalized upper state population in the photon-atom bound state. We demonstrate, on the other hand, that the lifetime of the photon-atom bound state in a PBG is limited by the lifetime of phonons due to lattice anharmonicities (breakup of phonons into lower energy phonons) and purely nonradiative decay. We also derive the modified polarization decay and dephasing rates in the presence of such damping. This leads to a microscopic, quantum theory of the optical absorption line shapes. Our model and formalism provide a starting point for describing dephasing and relaxation in the presence of external coherent fields and multiple quantum dot interactions in electromagnetic reservoirs with radiative memory effects.

Microscopic theory of multiple-phonon-mediated dephasing and relaxation of quantum dots near a photonic band gap

International Nuclear Information System (INIS)

Roy, Chiranjeeb; John, Sajeev

2010-01-01

We derive a quantum theory of the role of acoustic and optical phonons in modifying the optical absorption line shape, polarization dynamics, and population dynamics of a two-level atom (quantum dot) in the ''colored'' electromagnetic vacuum of a photonic band-gap (PBG) material. This is based on a microscopic Hamiltonian describing both radiative and vibrational processes quantum mechanically. We elucidate the extent to which phonon-assisted decay limits the lifetime of a single photon-atom bound state and derive the modified spontaneous emission dynamics due to coupling to various phonon baths. We demonstrate that coherent interaction with undamped phonons can lead to an enhanced lifetime of a photon-atom bound state in a PBG. This results in reduction of the steady-state atomic polarization but an increase in the fractionalized upper state population in the photon-atom bound state. We demonstrate, on the other hand, that the lifetime of the photon-atom bound state in a PBG is limited by the lifetime of phonons due to lattice anharmonicities (breakup of phonons into lower energy phonons) and purely nonradiative decay. We also derive the modified polarization decay and dephasing rates in the presence of such damping. This leads to a microscopic, quantum theory of the optical absorption line shapes. Our model and formalism provide a starting point for describing dephasing and relaxation in the presence of external coherent fields and multiple quantum dot interactions in electromagnetic reservoirs with radiative memory effects.

Fundamental kinetics and innovative applications of nonequilibrium atomic vibration in thermal energy transport and conversion

Science.gov (United States)

Shin, Seungha

All energy conversion inefficiencies begin with emission of resonant atomic motions, e.g., vibrations, and are declared as waste heat once these motions thermalize to equilibrium. The nonequilibrium energy occupancy of the vibrational modes can be targeted as a harvestable, low entropy energy source for direct conversion to electric energy. Since the lifetime of these resonant vibrations is short, special nanostructures are required with the appropriate tuning of the kinetics. These in turn require multiscale, multiphysics treatments. Atomic vibration is described with quasiparticle phonon in solid, and the optical phonon emission is dominant relaxation channel in semiconductors. These optical modes become over-occupied when their emission rate becomes larger than their decay rate, thus hindering energy relaxation and transport in devices. Effective removal of these phonons by drifting electrons is investigated by manipulating the electron distribution to have higher population in the low-energy states, thus allowing favorable phonon absorption. This is done through introduction, design and analysis of a heterobarrier conducting current, where the band gap is controlled by alloying, thus creating a spatial variation which is abrupt followed by a linear gradient (to ensure directed current). Self-consistent ensemble Monte Carlo simulations based on interaction kinetics between electron and phonon show that up to 19% of the phonon energy is converted to electric potential with an optimized GaAs/AlxGa1-xAs barrier structure over a range of current and electron densities, and this system is also verified through statistical entropy analysis. This direct energy conversion improves the device performance with lower operation temperature and enhances overall energy conversion efficiency. Through this study, the paradigm for harvesting the resonant atomic vibration is proposed, reversing the general role of phonon as only causing electric potential drop. Fundamentals

Effect of magnon-phonon interactions on magnon squeezed states in ferromagnets

Science.gov (United States)

Mikhail, I. F. I.; Ismail, I. M. M.; Ameen, M.

2018-02-01

The squeezed states of dressed magnons in ferromagnets have been investigated. No effective Debye cutoff frequency has been assumed unlike what has been done hitherto. Instead, the results have been expressed throughout in terms of the reduced temperature. The effect of dressed magnon-phonon interactions on the formulation of these states has been studied. It has been shown that the magnon-phonon interactions play a significant role in determining the squeeze factor and the variation of the dressed magnon effective mass with temperature.

Toward yrast spectroscopy in soft vibrational nuclei

International Nuclear Information System (INIS)

Marumori, Toshio; Kuriyama, Atsushi; Sakata, Fumihiko.

1979-10-01

In a formally parallel way with that exciting progress has been recently achieved in understanding the yrast spectra of the rotational nuclei in terms of the quasi-particle motion in the rotating frame, an attempt to understand the yrast spectra of the vibrational nuclei in terms of the quasi-particle motion is proposed. The essential idea is to introduce the quasi-particle motion in a generalized vibrating frame, which can be regarded as a rotating frame in the gauge space of ''physical'' phonons where the number of the physical phonons plays the role of the angular momentum. On the basis of a simple fundamental principle called as the ''invariance principle of the Schroedinger equation'', which leads us to the ''maximal decoupling'' between the physical phonon and the intrinsic modes, it is shown that the vibrational frame as well as the physical-phonon-number operator represented by the quasi-particles can be self-consistently determined. A new scope toward the yrast spectroscopy of the vibrational nuclei in terms of the quasi-particle motion is discussed. (author)

Phonon dispersion and Kohn anomalies in the alloy Cu8.84Al0.16

International Nuclear Information System (INIS)

Chou, H.; Shapiro, S.M.; Moss, S.C.; Mostoller, M.

1990-01-01

The authors have made detailed measurements of phonon frequencies along all high-symmetry directions on a large single crystal of Cu 0.84 Al 0.16 at room temperature. Phonon frequencies were ascertained to better than ±0.03 meV. Inter-atomic force constants and vibrational density of states were calculated by performing a Born-von Karman analysis on the complete set of phonon dispersion curves. In contrast to the case of pure Cu, no evident Kohn anomaly (neither in the phonon dispersion itself nor in the derivatives) was observed near the expected wave vector q = 2k F . The absence of Kohn anomalies in the present system could be due either to a smeared out Fermi surface or to the possibility that the electron-electron interaction which screens the inter-ionic potential is not the dominant interaction in the system: i.e., the existence of Kohn anomalies in these alloys may depend mainly on the details of the electron-phonon interaction

The 257 MeV 19/2/sup -/ two-phonon octupole state in /sup 147/Gd

CERN Document Server

Kleinheinz, P; Kortelahti, M; Piiparinen, M; Styczen, J

1981-01-01

The half-life of the (vf/sub 7/2/*3/sup -/*3/sup -/)/sub 19/2-/ two- phonon octupole states at 2.572 MeV in /sup 147/Gd was measured as T /sub 1/2/=0.37(8) ns, which gives a transition strength of 52(15) WU for the 1525 keV E3 transition to the 0.997 MeV (vf/sub 7/2/*3/sup -/) /sub 13/2+/ one transition to the 0.997 MeV ( nu f/sub 7/2/*3/sup -/) /sub 13/2+/ one phonon excitation. The nu i/sub 13/2/ admixture in the 13/2/sup +/ one-phonon state, as well as the dominant pi h/sub 11/2/d /sub 5//sup -1/2/ component of the /sup 146/Gd 3/sup -/ state give rise to large anharmonicities for the two-phonon excitation. An estimate of the energy shifts based on empirical coupling matrix elements gives 2.66 MeV excitation for the 19/2/sup -/ two-phonon state, in good agreement with the observed energy of that state. (9 refs).

Numerical generalized vibration density of states evaluation for inelastic neutron scattering in solid matter

CERN Document Server

Kazmianec, V; Aranghel, D

2002-01-01

A computational method for improved evaluation of the generalized vibration density of states (GVDS) is proposed. It is based on Fast Fourier Transform (FPT) technique and gives the possibility for more precise analyses of the neutron double differential scattering cross section. The method was applied to zirconium hydride investigation. The results were presented for ZrH sub 1 sub . sub 6 U sub 0 sub . sub 3 sub 2 sample at various temperatures on time-of-flight (TOF) Spectrometry at IBR-2 reactor of JINR-Dubna and were compared to GVDS values obtained by traditional single-phonon approximation method

On the mechanism of high-temperature superconductivity in hydrogen sulfide at 200 GPa: Transition into superconducting anti-adiabatic state in coupling to H-vibrations

Directory of Open Access Journals (Sweden)

Pavol Baňacký

Full Text Available It has been shown that the adiabatic electronic structure of the superconducting phase of sulfur hydride at 200 GPa is unstable toward the vibration motion of H-atoms. A theoretical study indicates that in coupling to H-vibrations, the system undergoes a transition from adiabatic into a stabilized anti-adiabatic multi-gap superconducting state at a temperature that can reach 203 K. Keywords: Superconductivity of sulfur hydride, Electron–phonon coupling in superconductors, Anti-adiabatic theory of superconductivity

Real-Time Observation of Exciton-Phonon Coupling Dynamics in Self-Assembled Hybrid Perovskite Quantum Wells.

Science.gov (United States)

Ni, Limeng; Huynh, Uyen; Cheminal, Alexandre; Thomas, Tudor H; Shivanna, Ravichandran; Hinrichsen, Ture F; Ahmad, Shahab; Sadhanala, Aditya; Rao, Akshay

2017-11-28

Self-assembled hybrid perovskite quantum wells have attracted attention due to their tunable emission properties, ease of fabrication, and device integration. However, the dynamics of excitons in these materials, especially how they couple to phonons, remains an open question. Here, we investigate two widely used materials, namely, butylammonium lead iodide (CH 3 (CH 2 ) 3 NH 3 ) 2 PbI 4 and hexylammonium lead iodide (CH 3 (CH 2 ) 5 NH 3 ) 2 PbI 4 , both of which exhibit broad photoluminescence tails at room temperature. We performed femtosecond vibrational spectroscopy to obtain a real-time picture of the exciton-phonon interaction and directly identified the vibrational modes that couple to excitons. We show that the choice of the organic cation controls which vibrational modes the exciton couples to. In butylammonium lead iodide, excitons dominantly couple to a 100 cm -1 phonon mode, whereas in hexylammonium lead iodide, excitons interact with phonons with frequencies of 88 and 137 cm -1 . Using the determined optical phonon energies, we analyzed photoluminescence broadening mechanisms. At low temperatures (photoluminescence line shape observed in hybrid perovskite quantum wells and provide insights into the mechanism of exciton-phonon coupling in these materials.

Confined and interface phonons in combined cylindrical nanoheterosystem

Directory of Open Access Journals (Sweden)

O.M.Makhanets

2006-01-01

Full Text Available The spectra of all types of phonons existing in a complicated combined nanoheterosystem consisting of three cylindrical quantum dots embedded into the cylindrical quantum wire placed into vacuum are studied within the dielectric continuum model. It is shown that there are confined optical (LO and interface phonons of two types: top surface optical (TSO and side surface optical (SSO modes of vibration in such a nanosystem. The dependences of phonon energies on the quasiwave numbers and geometrical parameters of quantum dots are investigated and analysed.

One-phonon states in deformed nuclei for isoscalar and isovector interactions

International Nuclear Information System (INIS)

Malov, L.A.; Nesterenko, V.O.; Solov'ev, V.G.

1977-01-01

Extension of the formulas describing the one-phonon states of compound even-even deformed nuclei to the case when the isoscalar and isovector multipole-multipole forces are taken into account, is given. The formalism presented makes it possible to obtain an unified description of the low-lying states and gigantic multipole resonances. Procedure is developed which makes it possible to write down the reduced probability and energetically weighted sum rule in the form of force functions averaged over certain interval of energies. The procedure simplifies the calculations significantly and makes it possible to avoid solving the secular equation for energies of one-phonon states

Ab initio phonon thermal transport in monolayer InSe, GaSe, GaS, and alloys

Energy Technology Data Exchange (ETDEWEB)

Pandey, Tribhuwan; Parker, David S.; Lindsay, Lucas

2017-10-17

We compare vibrational properties and phonon thermal conductivities (κ) of monolayer InSe, GaSe and GaS systems using density functional theory and Peierls-Boltzmann transport methods. In going from InSe to GaSe to GaS, system mass decreases giving both increasing acoustic phonon velocities and decreasing scattering of these heat-carrying modes with optic phonons, ultimately giving κInSe< κGaSe< κGaS. This behavior is demonstrated by correlating the scattering phase space limited by fundamental conservation conditions with mode scattering rates and phonon dispersions for each material. We also show that, unlike flat monolayer systems such as graphene, thermal transport is governed by in-plane vibrations in InSe, GaSe and GaS, similar to buckled monolayer materials such as silicene. Alloying of InSe, GaSe and GaS systems provides an effective method for modulating their κ through intrinsic vibrational modifications and phonon scattering from mass disorder giving reductions ~2-3.5 times. This disorder also suppresses phonon mean free paths in the alloy systems compared to those in their crystalline counterparts. This work provides fundamental insights of lattice thermal transport from basic vibrational properties for an interesting set of two-dimensional materials.

Quasiparticle-phonon model and quadrupole mixed-symmetry states of 96Ru

Directory of Open Access Journals (Sweden)

Stoyanov Ch.

2016-01-01

Full Text Available The structure of low-lying quadrupole states of 96Ru was calculated within the Quasiparticle-Phonon Model. It is shown that symmetric and mixed-symmetry properties manifest themselves via the structure of the excited states. The first 2+ state is collective and neutron and proton transition matrix elements Mn and Mp are in-phase, while the neutron and proton transition matrix elements Mn and Mp have opposite signs for the third 2+ state. This property of the third 2+ state leads to a large M1 transition between the first and third 2+ states. It is an unambigous demonstration of the mixed-symmetry nature of the third 2+ state. The structure of the first 1+ state is calculated. The state is a member of the two-phonon multiplet generated by the coupling of the [21+]QRPA and the [22+]QRPA states.

Calculation of the phonon density of states and related thermodynamic properties for trigonal selenium

DEFF Research Database (Denmark)

Hansen, Flemming Yssing; Alldredge, G. P.; McMurry, H. L.

1983-01-01

The phonon density of states for trigonal selenium has been calculated on the basis of a short range force model giving good overall agreement with experimental room temperature phonon dispersion data. A qualitative comparison with an experimental determination of the phonon density of states shows...... similarities in the gross features, but the experimental data lacks many of the finer details shown by the theoretical results due to resolution effects. The lattice dynamical contribution to the heat capacity CV is calculated and is found to be in good agreement with experimental determinations of Cp after...

Jauch-Piron system of imprimitivities for phonons. I. Localizability in discrete space

Science.gov (United States)

Banach, Zbigniew; Piekarski, Sławomir

1993-01-01

This paper is devoted to a discussion of the notion of localizability for phonons, i.e., quasiparticles arising from the harmonic vibrations of a system of n atoms bound to one another by elastic forces. The natural tools for the analysis of localizability are the projection operators Ê(Δ) acting on the Hilbert space of one-phonon states, where Δ is an arbitrary subset of the set that consists of n vectors specifying the equilibrium positions of n atoms. The expectation value of Ê(Δ) is the probability that the phonon belongs to the atoms whose equilibrium positions are characterized by the elements of Δ. For a strongly localizable phonon all of the projection operators Ê(Δ) commute with one another, whereas in the case of a weakly localizable phonon the operators Ê(Δ1) and Ê(Δ2) do not commute when Δ1 and Δ2 overlap. With the aid of the Jauch-Piron quantum theory of localization in space, the present paper describes the method of obtaining Ê(Δ) and also shows that if in the system of n atoms there exist normal modes of zero frequency, then the phonon is only weakly localizable. Given the explicit expression for Ê(Δ), one can define the number-of-phonons operator as well as the quasiparticle analogue (given in a companion paper) of the Wigner distribution function.

Influence of phonons on semiconductor quantum emission

Energy Technology Data Exchange (ETDEWEB)

Feldtmann, Thomas

2009-07-06

A microscopic theory of interacting charge carriers, lattice vibrations, and light modes in semiconductor systems is presented. The theory is applied to study quantum dots and phonon-assisted luminescence in bulk semiconductors and heterostructures. (orig.)

Transport through a vibrating quantum dot: Polaronic effects

International Nuclear Information System (INIS)

Koch, T; Alvermann, A; Fehske, H; Loos, J; Bishop, A R

2010-01-01

We present a Green's function based treatment of the effects of electron-phonon coupling on transport through a molecular quantum dot in the quantum limit. Thereby we combine an incomplete variational Lang-Firsov approach with a perturbative calculation of the electron-phonon self energy in the framework of generalised Matsubara Green functions and a Landauer-type transport description. Calculating the ground-state energy, the dot single-particle spectral function and the linear conductance at finite carrier density, we study the low-temperature transport properties of the vibrating quantum dot sandwiched between metallic leads in the whole electron-phonon coupling strength regime. We discuss corrections to the concept of an anti-adiabatic dot polaron and show how a deformable quantum dot can act as a molecular switch.

Ground-state energy of an exciton-(LO) phonon system in a parabolic quantum well

Science.gov (United States)

Gerlach, B.; Wüsthoff, J.; Smondyrev, M. A.

1999-12-01

This paper presents a variational study of the ground-state energy of an exciton-(LO) phonon system, which is spatially confined to a quantum well. The exciton-phonon interaction is of Fröhlich type, the confinement potentials are assumed to be parabolic functions of the coordinates. Making use of functional integral techniques, the phonon part of the problem can be eliminated exactly, leading us to an effective two-particle system, which has the same spectral properties as the original one. Subsequently, Jensen's inequality is applied to obtain an upper bound on the ground-state energy. The main intention of this paper is to analyze the influence of the quantum-well-induced localization of the exciton on its ground-state energy (or its binding energy, respectively). To do so, we neglect any mismatch of the masses or the dielectric constants, but admit an arbitrary strength of the confinement potentials. Our approach allows for a smooth interpolation of the ultimate limits of vanishing and infinite confinement, corresponding to the cases of a free three-dimensional and a free two-dimensional exciton-phonon system. The interpolation formula for the ground-state energy bound corresponds to similar formulas for the free polaron or the free exciton-phonon system. These bounds in turn are known to compare favorably with all previous ones, which we are aware of.

Vibration Properties of a Steel-PMMA Composite Beam

Directory of Open Access Journals (Sweden)

Yuyang He

2015-01-01

Full Text Available A steel-polymethyl methacrylate (steel-PMMA beam was fabricated to investigate the vibration properties of a one-dimensional phononic crystal structure. The experimental system included an excitation system, a signal acquisition system, and a data analysis and processing system. When an excitation signal was exerted on one end of the beam, the signals of six response points were collected with acceleration sensors. Subsequent signal analysis showed that the beam was attenuated in certain frequency ranges. The lumped mass method was then used to calculate the bandgap of the phononic crystal beam to analyze the vibration properties of a beam made of two different materials. The finite element method was also employed to simulate the vibration of the phononic crystal beam, and the simulation results were consistent with theoretical calculations. The existence of the bandgap was confirmed experimentally and theoretically, which allows for the potential applications of phononic crystals, including wave guiding and filtering, in integrated structures.

One- and two-phonon mixed-symmetry states in 94Mo in high-resolution electron and proton scattering

International Nuclear Information System (INIS)

Fujita, H.; Botha, N.T.; Burda, O.; Carter, J.; Fearick, R.W.; Foertsch, S.V.; Fransen, C.; Kuhar, M.; Lenhardt, A.; Neumann-Cosel, P. von; Neveling, R.; Pietralla, N.; Ponomarev, V.Yu.; Richter, A.; Scholten, O.; Sideras-Haddad, E.; Smit, F.D.; Wambach, J.

2007-01-01

High-resolution inelastic electron scattering experiments at the S-DALINAC and proton scattering experiments at iThemba LABS permit a thorough test of the nature of proposed one- and two-phonon symmetric and mixed-symmetric 2 + states of the nucleus 94 Mo. The combined analysis reveals the one-phonon content of the mixed-symmetry state and its isovector character suggested by microscopic calculations. The purity of two-phonon 2 + states is extracted

Measuring the effective phonon density of states of a quantum dot in cavity quantum electrodynamics

DEFF Research Database (Denmark)

Madsen, Kristian Høeg; Nielsen, Per Kær; Kreiner-Møller, Asger

2013-01-01

We employ detuning-dependent decay-rate measurements of a quantum dot in a photonic-crystal cavity to study the influence of phonon dephasing in a solid-state quantum-electrodynamics experiment. The experimental data agree with a microscopic non-Markovian model accounting for dephasing from...... longitudinal acoustic phonons, and the analysis explains the difference between nonresonant cavity feeding in different nanocavities. From the comparison between experiment and theory we extract the effective phonon density of states experienced by the quantum dot in the nanocavity. This quantity determines...

Observation of coherent optical phonons excited by femtosecond laser radiation in Sb films by ultrafast electron diffraction method

Energy Technology Data Exchange (ETDEWEB)

Mironov, B. N.; Kompanets, V. O.; Aseev, S. A., E-mail: isanfemto@yandex.ru [Russian Academy of Sciences, Institute of Spectroscopy (Russian Federation); Ischenko, A. A. [Moscow Technological University, Institute of High Chemical Technologies (Russian Federation); Kochikov, I. V. [Moscow State University (Russian Federation); Misochko, O. V. [Russian Academy of Sciences, Institute of Solid State Physics (Russian Federation); Chekalin, S. V.; Ryabov, E. A. [Russian Academy of Sciences, Institute of Spectroscopy (Russian Federation)

2017-03-15

The generation of coherent optical phonons in a polycrystalline antimony film sample has been investigated using femtosecond electron diffraction method. Phonon vibrations have been induced in the Sb sample by the main harmonic of a femtosecond Ti:Sa laser (λ = 800 nm) and probed by a pulsed ultrashort photoelectron beam synchronized with the pump laser. The diffraction patterns recorded at different times relative to the pump laser pulse display oscillations of electron diffraction intensity corresponding to the frequencies of vibrations of optical phonons: totally symmetric (A{sub 1g}) and twofold degenerate (E{sub g}) phonon modes. The frequencies that correspond to combinations of these phonon modes in the Sb sample have also been experimentally observed.

On the interplay between phonon-boundary scattering and phonon-point-defect scattering in SiGe thin films

Science.gov (United States)

Iskandar, A.; Abou-Khalil, A.; Kazan, M.; Kassem, W.; Volz, S.

2015-03-01

This paper provides theoretical understanding of the interplay between the scattering of phonons by the boundaries and point-defects in SiGe thin films. It also provides a tool for the design of SiGe-based high-efficiency thermoelectric devices. The contributions of the alloy composition, grain size, and film thickness to the phonon scattering rate are described by a model for the thermal conductivity based on the single-mode relaxation time approximation. The exact Boltzmann equation including spatial dependence of phonon distribution function is solved to yield an expression for the rate at which phonons scatter by the thin film boundaries in the presence of the other phonon scattering mechanisms. The rates at which phonons scatter via normal and resistive three-phonon processes are calculated by using perturbation theories with taking into account dispersion of confined acoustic phonons in a two dimensional structure. The vibrational parameters of the model are deduced from the dispersion of confined acoustic phonons as functions of temperature and crystallographic direction. The accuracy of the model is demonstrated with reference to recent experimental investigations regarding the thermal conductivity of single-crystal and polycrystalline SiGe films. The paper describes the strength of each of the phonon scattering mechanisms in the full temperature range. Furthermore, it predicts the alloy composition and film thickness that lead to minimum thermal conductivity in a single-crystal SiGe film, and the alloy composition and grain size that lead to minimum thermal conductivity in a polycrystalline SiGe film.

Phonon operators for deformed nuclei

International Nuclear Information System (INIS)

Solov'ev, V.G.

1982-01-01

The mathematical formalism with the phonon operators independent of the signature of the angular momentum projection turns out to be inadequate for describing excited states of deformed nuclei. New phonon operators are introduced which depend on the signature of the angular momentum projection on the symmetry axis of a deformed nucleus. It is shown that the calculations with the new phonons take correctly into account the Pauli principle in two-phonon components of wave functions. The results obtained differ from those given by the phonons independent of the signature of the angular momentum projection. The new phonons must be used in deformed nuclei at taking systematically the Pauli principle into account and in calculations involving wave functions of excited states having components with more than one-phonon operator

Phonon operators in deformed nuclei

International Nuclear Information System (INIS)

Soloviev, V.G.

1981-01-01

For the description of the excited states in deformed nuclei new phonon operators are introduced, which depend on the sign of the angular momentum projection onto the symmetry axis of a deformed nucleus. In the calculations with new phonons the Pauli principle is correctly taken into account in the two-phonon components of the wave functions. There is a difference in comparison with the calculation with phonons independent of the sign of the angular momentum projection. The new phonons should be used in deformed nuclei if the Pauli principle is consistently taken into account and in the calculations with the excited state wave functions having the components with more than one phonon operator [ru

Phonon Density of States and Heat Capacity of La3-xTe4

International Nuclear Information System (INIS)

Delaire, Olivier A.; May, Andrew F.; McGuire, Michael A.; Porter, Wallace D.; Lucas, Matthew S.; Stone, Matthew B.; Abernathy, Douglas L.; Snyder, G.J.

2009-01-01

The phonon density of states (DOS) of La 3-x Te 4 compounds (x=0.0, 0.18, 0.32) was measured at 300, 520, and 780 K, using inelastic neutron scattering. A significant stiffening of the phonon DOS, and a large broadening of features were observed upon introduction of vacancies on La sites (increasing x). Heat capacity measurements were performed at temperatures ∼1.85 ≤ T ≤ 1200 K and were analyzed to quantify the contributions of phonons and electrons. The Debye temperature and the electronic coefficient of heat capacity determined from these measurements are consistent with the neutron scattering results, and with previously reported first-principles calculations. Our results indicate that La vacancies in La 3-x Te 4 strongly scatter phonons, and this source of scattering appears to be independent of temperature. The stiffening of the phonon DOS induced by the introduction of vacancies is explained in terms of the electronic structure and the change in bonding. The temperature dependence of the phonon DOS is captured satisfactorily by the quasiharmonic approximation.

Optimizing phonon space in the phonon-coupling model

Science.gov (United States)

Tselyaev, V.; Lyutorovich, N.; Speth, J.; Reinhard, P.-G.

2017-08-01

We present a new scheme to select the most relevant phonons in the phonon-coupling model, named here the time-blocking approximation (TBA). The new criterion, based on the phonon-nucleon coupling strengths rather than on B (E L ) values, is more selective and thus produces much smaller phonon spaces in the TBA. This is beneficial in two respects: first, it curbs the computational cost, and second, it reduces the danger of double counting in the expansion basis of the TBA. We use here the TBA in a form where the coupling strength is regularized to keep the given Hartree-Fock ground state stable. The scheme is implemented in a random-phase approximation and TBA code based on the Skyrme energy functional. We first explore carefully the cutoff dependence with the new criterion and can work out a natural (optimal) cutoff parameter. Then we use the freshly developed and tested scheme for a survey of giant resonances and low-lying collective states in six doubly magic nuclei looking also at the dependence of the results when varying the Skyrme parametrization.

Two- to one-phonon E3 transition strength in {sup 148}Gd

Energy Technology Data Exchange (ETDEWEB)

Piiparinen, M [Niels Bohr Institute, Tandem Accelerator Laboratory, Roskilde (Denmark); [Jyvaeskylae Univ. (Finland). Dept. of Physics; Atac, A; Nyberg, J; Ramsoy, T; Sletten, G [Niels Bohr Institute, Tandem Acceleratory Laboratory, Roskile, (Denmark); Virtanen, A; Muller, D [Jyvaeskylae Univ. (Finland). Dept. of Physics; Kleinheinz, P [Forschungszentrum Juelich GmbH (Germany). Inst. fuer Kernphysik; Blomqvist, J [Manne Siegbahn Inst. of Physics, Stockholm (Sweden)

1992-08-01

In a plunger experiment the mean life of the ({nu} f{sub 6}{sup 2}x3{sup -}x3{sup -})12{sup +} state at 3.981 MeV in {sub 64}{sup 148}Gd{sub 84} was measured as {tau}=83(10)ps, giving 77(11)B{sub w} for the 1286 keV 12{sup +} {yields} 9{sup -} E3 transition rate, which confirms the double-octupole character of the 12{sup +} state. The observed deviations in energy and transition rate from harmonic vibration are shown to be caused by the exclusion principle acting between nucleons in the two phonons and are related to the dominant contributions to the {sup 148}Gd octupole phonon of the low-lying {Delta}l={Delta}j=3 proton- and neutron in-shell 3{sup -} excitations which are of vital significance for the octupole mode in open-shell nuclei. (author). 17 refs., 2 figs.

Band structures of two dimensional solid/air hierarchical phononic crystals

International Nuclear Information System (INIS)

Xu, Y.L.; Tian, X.G.; Chen, C.Q.

2012-01-01

The hierarchical phononic crystals to be considered show a two-order “hierarchical” feature, which consists of square array arranged macroscopic periodic unit cells with each unit cell itself including four sub-units. Propagation of acoustic wave in such two dimensional solid/air phononic crystals is investigated by the finite element method (FEM) with the Bloch theory. Their band structure, wave filtering property, and the physical mechanism responsible for the broadened band gap are explored. The corresponding ordinary phononic crystal without hierarchical feature is used for comparison. Obtained results show that the solid/air hierarchical phononic crystals possess tunable outstanding band gap features, which are favorable for applications such as sound insulation and vibration attenuation.

Band structures of two dimensional solid/air hierarchical phononic crystals

Energy Technology Data Exchange (ETDEWEB)

Xu, Y.L.; Tian, X.G. [State Key Laboratory for Mechanical Structure Strength and Vibration, Xi' an Jiaotong University, Xi' an 710049 (China); Chen, C.Q., E-mail: chencq@tsinghua.edu.cn [Department of Engineering Mechanics, AML and CNMM, Tsinghua University, Beijing 100084 (China)

2012-06-15

The hierarchical phononic crystals to be considered show a two-order 'hierarchical' feature, which consists of square array arranged macroscopic periodic unit cells with each unit cell itself including four sub-units. Propagation of acoustic wave in such two dimensional solid/air phononic crystals is investigated by the finite element method (FEM) with the Bloch theory. Their band structure, wave filtering property, and the physical mechanism responsible for the broadened band gap are explored. The corresponding ordinary phononic crystal without hierarchical feature is used for comparison. Obtained results show that the solid/air hierarchical phononic crystals possess tunable outstanding band gap features, which are favorable for applications such as sound insulation and vibration attenuation.

Squeezed Phonons: Modulating Quantum Fluctuations of Atomic Displacements.

Science.gov (United States)

Hu, Xuedong; Nori, Franco

1997-03-01

We have studied phonon squeezed states and also put forward several proposals for their generation(On phonon parametric process, X. Hu and F. Nori, Phys. Rev. Lett. 76), 2294 (1996); on polariton mechanism, X. Hu and F. Nori, Phys. Rev. B 53, 2419 (1996); on second-order Raman scattering, X. Hu and F. Nori, preprint.. Here, we compare the relative merits and limitations of these approaches, including several factors that will limit the amount of phonon squeezing. In particular, we investigate the effect of the initial thermal states on the phonon modes. Using a model for the phonon density matrix, we also study the mixing of the phonon squeezed states with thermal states, which describes the decay of the phonon coherence. Finally, we calculate the maximum possible squeezing from a phonon parametric process limited by phonon decay.

Band structures in fractal grading porous phononic crystals

Science.gov (United States)

Wang, Kai; Liu, Ying; Liang, Tianshu; Wang, Bin

2018-05-01

In this paper, a new grading porous structure is introduced based on a Sierpinski triangle routine, and wave propagation in this fractal grading porous phononic crystal is investigated. The influences of fractal hierarchy and porosity on the band structures in fractal graidng porous phononic crystals are clarified. Vibration modes of unit cell at absolute band gap edges are given to manifest formation mechanism of absolute band gaps. The results show that absolute band gaps are easy to form in fractal structures comparatively to the normal ones with the same porosity. Structures with higher fractal hierarchies benefit multiple wider absolute band gaps. This work provides useful guidance in design of fractal porous phononic crystals.

Electron-Phonon Coupling and Resonant Relaxation from 1D and 1P States in PbS Quantum Dots.

Science.gov (United States)

Kennehan, Eric R; Doucette, Grayson S; Marshall, Ashley R; Grieco, Christopher; Munson, Kyle T; Beard, Matthew C; Asbury, John B

2018-05-31

Observations of the hot-phonon bottleneck, which is predicted to slow the rate of hot carrier cooling in quantum confined nanocrystals, have been limited to date for reasons that are not fully understood. We used time-resolved infrared spectroscopy to directly measure higher energy intraband transitions in PbS colloidal quantum dots. Direct measurements of these intraband transitions permitted detailed analysis of the electronic overlap of the quantum confined states that may influence their relaxation processes. In smaller PbS nanocrystals, where the hot-phonon bottleneck is expected to be most pronounced, we found that relaxation of parity selection rules combined with stronger electron-phonon coupling led to greater spectral overlap of transitions among the quantum confined states. This created pathways for fast energy transfer and relaxation that may bypass the predicted hot-phonon bottleneck. In contrast, larger, but still quantum confined nanocrystals did not exhibit such relaxation of the parity selection rules and possessed narrower intraband states. These observations were consistent with slower relaxation dynamics that have been measured in larger quantum confined systems. These findings indicated that, at small radii, electron-phonon interactions overcome the advantageous increase in energetic separation of the electronic states for PbS quantum dots. Selection of appropriately sized quantum dots, which minimize spectral broadening due to electron-phonon interactions while maximizing electronic state separation, is necessary to observe the hot-phonon bottleneck. Such optimization may provide a framework for achieving efficient hot carrier collection and multiple exciton generation.

The influence of the surface parameter changes onto the phonon states in ultrathin crystalline films

Science.gov (United States)

Šetrajčić, Jovan P.; Ilić, Dušan I.; Jaćimovski, Stevo K.

2018-04-01

In this paper, we have analytically investigated how the changes in boundary surface parameters influence the phonon dispersion law in ultrathin films of the simple cubic crystalline structure. Spectra of possible phonon states are analyzed using the method of two-time dependent Green's functions and for the diverse combination of boundary surface parameters, this problem was presented numerically and graphically. It turns out that for certain values and combinations of parameters, displacement of dispersion branches outside of bulk zone occurs, leading to the creation of localized phonon states. This fact is of great importance for the heat removal, electrical conductivity and superconducting properties of ultrathin films.

Observation of chiral phonons

KAUST Repository

Zhu, Hanyu; Yi, Jun; Li, Ming-yang; Xiao, Jun; Zhang, Lifa; Yang, Chih-Wen; Kaindl, Robert A.; Li, Lain-Jong; Wang, Yuan; Zhang, Xiang

2018-01-01

Chirality reveals symmetry breaking of the fundamental interaction of elementary particles. In condensed matter, for example, the chirality of electrons governs many unconventional transport phenomena such as the quantum Hall effect. Here we show that phonons can exhibit intrinsic chirality in monolayer tungsten diselenide. The broken inversion symmetry of the lattice lifts the degeneracy of clockwise and counterclockwise phonon modes at the corners of the Brillouin zone. We identified the phonons by the intervalley transfer of holes through hole-phonon interactions during the indirect infrared absorption, and we confirmed their chirality by the infrared circular dichroism arising from pseudoangular momentum conservation. The chiral phonons are important for electron-phonon coupling in solids, phonon-driven topological states, and energy-efficient information processing.

Observation of chiral phonons

KAUST Repository

Zhu, Hanyu

2018-02-01

Chirality reveals symmetry breaking of the fundamental interaction of elementary particles. In condensed matter, for example, the chirality of electrons governs many unconventional transport phenomena such as the quantum Hall effect. Here we show that phonons can exhibit intrinsic chirality in monolayer tungsten diselenide. The broken inversion symmetry of the lattice lifts the degeneracy of clockwise and counterclockwise phonon modes at the corners of the Brillouin zone. We identified the phonons by the intervalley transfer of holes through hole-phonon interactions during the indirect infrared absorption, and we confirmed their chirality by the infrared circular dichroism arising from pseudoangular momentum conservation. The chiral phonons are important for electron-phonon coupling in solids, phonon-driven topological states, and energy-efficient information processing.

Vibration-rotational overtones absorption of solid hydrogens using optoacoustic spectroscopy technique

International Nuclear Information System (INIS)

Vieira, M.M.F.

1985-01-01

Vibrational-rotational overtones absorption solid hydrogens (H 2 , D 2 , HD) is studied using pulsed laser piezoeletric transducer (PULPIT) optoacoustic spectroscopy is studied. A general downward shift in energy from isolated molecular energies is observed. Studying normal-hydrogen it was observed that the phonon excitations associated with double-molecular transitions are predominantly transverse-optical phonons, whereas the excitations associated with single-molecular transitions are predominantly longitudinal - optical phonons. Multiplet structures were observed for certain double transitions in parahydrogen and orthodeuterium. The HD spectrum, besides presenting the sharp zero-phonon lines and the associated phonon side bands, like H 2 and D 2 , showed also two different features. This observation was common to all the transitions involving pure rotational excitation in H 2 and D 2 , which showed broad linewidths. This, together with some other facts (fluorescence lifetime *approx*10 5 sec; weak internal vibration and lattice coupling), led to the proposition of a mechanism for the fast nonradiative relaxation in solid hydrogens, implied from some observed experimental evidences. This relaxation, due to strong coupling, would happen in two steps: the internal vibration modes would relax to the rotational modes of the molecules, and then this rotational modes would relax to the lattice vibration modes. (Author) [pt

Spin-lattice relaxation in phosphorescent triplet state molecules

International Nuclear Information System (INIS)

Verbeek, P.J.F.

1979-01-01

The present thesis contains the results of a study of spin-lattice relaxation (SLR) in the photo-excited triplet state of aromatic molecules, dissolved in a molecular host crystal. It appears that SLR in phosphorescent triplet state molecules often is related to the presence of so-called (pseudo) localized phonons in the molecular mixed crystals. These local phonons can be thought to correspond with vibrations (librations) of the guest molecule in the force field of the surrounding host molecules. Since the intermolecular forces are relatively weak, the frequencies corresponding with these vibrations are relatively low and usually are of the order of 10-30 cm -1 . (Auth.)

Microwave-Induced Magneto-Oscillations and Signatures of Zero-Resistance States in Phonon-Drag Voltage in Two-Dimensional Electron Systems.

Science.gov (United States)

Levin, A D; Momtaz, Z S; Gusev, G M; Raichev, O E; Bakarov, A K

2015-11-13

We observe the phonon-drag voltage oscillations correlating with the resistance oscillations under microwave irradiation in a two-dimensional electron gas in perpendicular magnetic field. This phenomenon is explained by the influence of dissipative resistivity modified by microwaves on the phonon-drag voltage perpendicular to the phonon flux. When the lowest-order resistance minima evolve into zero-resistance states, the phonon-drag voltage demonstrates sharp features suggesting that current domains associated with these states can exist in the absence of external dc driving.

Phononic band gap structures as optimal designs

DEFF Research Database (Denmark)

Jensen, Jakob Søndergaard; Sigmund, Ole

2003-01-01

In this paper we use topology optimization to design phononic band gap structures. We consider 2D structures subjected to periodic loading and obtain the distribution of two materials with high contrast in material properties that gives the minimal vibrational response of the structure. Both in...

Strong-coupling superconductivity in the two-dimensional t-J model supplemented by a hole-phonon interaction

International Nuclear Information System (INIS)

Sherman, A.; Schreiber, M.

1995-01-01

We use the Eliashberg formalism for calculating T c in a model of cuprate perovskites with pairing mediated by both magnons and apex-oxygen vibrations. The influence of strong correlations on the energy spectrum is taken into account in the spin-wave approximation. It is shown that the hole-magnon interaction alone cannot yield high T c . But together with a moderate hole-phonon interaction it does lead to d-wave superconductivity at temperatures and hole concentrations observed in cuprates. High T c are connected with a large density of states due to extended Van Hove singularities, a conformity of the two interactions for the d symmetry, and high phonon frequencies

Quantum theory of phonon-mediated decoherence and relaxation of two-level systems in a structured electromagnetic reservoir

Science.gov (United States)

Roy, Chiranjeeb

In this thesis we study the role of nonradiative degrees of freedom on quantum optical properties of mesoscopic quantum dots placed in the structured electromagnetic reservoir of a photonic crystal. We derive a quantum theory of the role of acoustic and optical phonons in modifying the optical absorption lineshape, polarization dynamics, and population dynamics of a two-level atom (quantum dot) in the "colored" electromagnetic vacuum of a photonic band gap (PBG) material. This is based on a microscopic Hamiltonian describing both radiative and vibrational processes quantum mechanically. Phonon sidebands in an ordinary electromagnetic reservoir are recaptured in a simple model of optical phonons using a mean-field factorization of the atomic and lattice displacement operators. Our formalism is then used to treat the non-Markovian dynamics of the same system within the structured electromagnetic density of states of a photonic crystal. We elucidate the extent to which phonon-assisted decay limits the lifetime of a single photon-atom bound state and derive the modified spontaneous emission dynamics due to coupling to various phonon baths. We demonstrate that coherent interaction with undamped phonons can lead to enhanced lifetime of a photon-atom bound state in a PBG by (i) dephasing and reducing the transition electric dipole moment of the atom and (ii) reducing the quantum mechanical overlap of the state vectors of the excited and ground state (polaronic shift). This results in reduction of the steady-state atomic polarization but an increase in the fractionalized upper state population in the photon-atom bound state. We demonstrate, on the other hand, that the lifetime of the photon-atom bound state in a PBG is limited by the lifetime of phonons due to lattice anharmonicities (break-up of phonons into lower energy phonons) and purely nonradiative decay. We demonstrate how these additional damping effects limit the extent of the polaronic (Franck-Condon) shift of

The Importance of Phonons with Negative Phase Quotient in Disordered Solids.

Science.gov (United States)

Seyf, Hamid Reza; Lv, Wei; Rohskopf, Andrew; Henry, Asegun

2018-02-08

Current understanding of phonons is based on the phonon gas model (PGM), which is best rationalized for crystalline materials. However, most of the phonons/modes in disordered materials have a different character and thus may contribute to heat conduction in a fundamentally different way than is described by PGM. For the modes in crystals, which have sinusoidal character, one can separate the modes into two primary categories, namely acoustic and optical modes. However, for the modes in disordered materials, such designations may no longer rigorously apply. Nonetheless, the phase quotient (PQ) is a quantity that can be used to evaluate whether a mode more so shares a distinguishing property of acoustic vibrations manifested as a positive PQ, or a distinguishing property of an optical vibrations manifested as negative PQ. In thinking about this characteristic, there is essentially no intuition regarding the role of positive vs. negative PQ vibrational modes in disordered solids. Given this gap in understanding, herein we studied the respective contributions to thermal conductivity for several disordered solids as a function of PQ. The analysis sheds light on the importance of optical like/negative PQ modes in structurally/compositionally disordered solids, whereas in crystalline materials, the contributions of optical modes are usually small.

Description of low-lying states in odd-odd deformed nuclei taking account of the coupling with core rotations and vibrations. 1

International Nuclear Information System (INIS)

Kvasil, J.; Hrivnacova, I.; Nesterenko, V.O.

1990-01-01

The microscopic approach for description of low-lyinig states in deformed odd-odd nuclei is formulated as a generalization of the quasiparticle-phonon model (QPM) with including the rotational degrees of freedom and n-p interaction between external nucleons into the QPM. In comparison with other models, the approach proposed includes all three the most important effects coupling with rotational and vibrational degrees of freedom of doubly-even core and p-n interaction mentioned above even treates them on the microscopic base. 36 refs

Electron-phonon contribution to the phonon and excited electron (hole) linewidths in bulk Pd

International Nuclear Information System (INIS)

Sklyadneva, I Yu; Leonardo, A; Echenique, P M; Eremeev, S V; Chulkov, E V

2006-01-01

We present an ab initio study of the electron-phonon (e-ph) coupling and its contribution to the phonon linewidths and to the lifetime broadening of excited electron and hole states in bulk Pd. The calculations, based on density-functional theory, were carried out using a linear-response approach in the plane-wave pseudopotential representation. The obtained results for the Eliashberg spectral function α 2 F(ω), e-ph coupling constant λ, and the contribution to the lifetime broadening, Γ e-ph , show strong dependence on both the energy and momentum of an electron (hole) state. The calculation of phonon linewidths gives, in agreement with experimental observations, an anomalously large broadening for the transverse phonon mode T 1 in the Σ direction. In addition, this mode is found to contribute most strongly to the electron-phonon scattering processes on the Fermi surface

Quasiparticles, phonons and beyond. Enlargement the basis of quasiparticle-phonon model

International Nuclear Information System (INIS)

Stoyanov, Ch.

2000-01-01

The version of Quasiparticle-Phonon Model (QPM) which accounts up to three-phonons is discussed. The new basis is used to study the low-lying isovector mode and the low-energy E1 transitions forbidden in the ideal boson picture. The coupling to the continuum is incorporated in the formalism of QPM. The phenomenon of trapping of states is studied in the case of high-lying states with large angular momentum. (author)

Anharmonicities of coupled β and γ vibrations discussed in a simple model

International Nuclear Information System (INIS)

Piepenbring, R.; Silvestre-Brac, B.; Szymanski, Z.

1984-01-01

The multiphonon method based on β and γ phonons is tested in a simple model allowing an exact solution for a many body fermion system where pairing and quadrupole forces are acting. The properties exhibiting the anharmonicities of the lowest-lying vibrational states of positive parity are nicely reproduced by this method. (orig.)

Anharmonicities of coupled β and γ vibrations discussed in a simple model

International Nuclear Information System (INIS)

Piepenbring, R.; Silvestre-Brac, B.; Szymanski, Z.

1983-11-01

The multiphonon method based on β and γ phonons is tested in a simple model allowing an exact solution for a many body fermion system where pairing and quadrupole forces are acting. The properties exhibiting the anharmonicities of the lowest-lying vibrational states of positive parity are nicely reproduced by this method

Density of phonon states on NiO polycrystal

International Nuclear Information System (INIS)

Bulat, I.A.; Makovetskij, G.I.; Pashkovskij, Yu.L.; Semencheva, O.P.; Smolik, Ch.K.

1984-01-01

The density of phonon states g(epsilon) of nickel monoxide polycrystal was investigated by the method of inelastic scattering of cold neutrons with E 0 =4.43 MeV initial energy E 0 =4.43 MeV on the time-of-flight spectrometer at T=293 K. The obtained data are compared with existing results of calculations on the base of the simple shell model and the model, taking into account the deformation of bond angles

Phonons and colossal thermal expansion behavior of Ag3Co(CN)6 and Ag3Fe(CN)6.

Science.gov (United States)

Mittal, R; Zbiri, M; Schober, H; Achary, S N; Tyagi, A K; Chaplot, S L

2012-12-19

Recently colossal volume thermal expansion has been observed in the framework compounds Ag(3)Co(CN)(6) and Ag(3)Fe(CN)(6). We have measured phonon spectra using neutron time-of-flight spectroscopy as a function of temperature and pressure. Ab initio calculations were carried out for the sake of analysis and interpretation. Bonding is found to be very similar in the two compounds. At ambient pressure, modes in the intermediate frequency part of the vibrational spectra in the Co compound are shifted slightly to higher energies as compared to the Fe compound. The temperature dependence of the phonon spectra gives evidence for a large explicit anharmonic contribution to the total anharmonicity for low-energy modes below 5 meV. We have found that modes are mainly affected by the change in size of the unit cell, which in turn changes the bond lengths and vibrational frequencies. Thermal expansion has been calculated via the volume dependence of phonon spectra. Our analysis indicates that Ag phonon modes within the energy range 2-5 meV are strongly anharmonic and major contributors to thermal expansion in both systems. The application of pressure hardens the low-energy part of the phonon spectra involving Ag vibrations and confirms the highly anharmonic nature of these modes.

Theoretical approach to the phonon modes and specific heat of germanium nanowires

Energy Technology Data Exchange (ETDEWEB)

Trejo, A.; López-Palacios, L.; Vázquez-Medina, R.; Cruz-Irisson, M., E-mail: irisson@ipn.mx

2014-11-15

The phonon modes and specific heat of Ge nanowires were computed using a first principles density functional theory scheme with a generalized gradient approximation and finite-displacement supercell algorithms. The nanowires were modeled in three different directions: [001], [111], and [110], using the supercell technique. All surface dangling bonds were saturated with Hydrogen atoms. The results show that the specific heat of the GeNWs at room temperature increases as the nanowire diameter decreases, regardless the orientation due to the phonon confinement and surface passivation. Also the phonon confinement effects could be observed since the highest optical phonon modes in the Ge vibration interval shifted to a lower frequency compared to their bulk counterparts.

Phonon interactions with methyl radicals in single crystals

Directory of Open Access Journals (Sweden)

James W. Wells

2017-04-01

Full Text Available The high temperature ESR spectra’s anomalous appearance at very low temperatures for the methyl radical created in single crystals is explained by magnetic dipole interactions with neighboring protons. These protons acting via phonon vibrations induce resonant oscillations with the methyl group to establish a very temperature sensitive ‘‘relaxation’’ mode that allows the higher energy ‘‘E’’ state electrons with spin 12 to ‘‘decay’’ into ‘‘A’’ spin 12 states. Because of the amplitude amplification with temperature, the ‘‘E’’ state population is depleted and the ‘‘A’’ state population augmented to produce the high temperature ESR spectrum. This phenomenon is found to be valid for all but the very highest barriers to methyl group tunneling. In support, a time dependent spin population study shows this temperature evolution in the state populations under this perturbation.

Fuchs-Kliewer phonons of H-covered and clean GaN(1 1 bar 00)

Science.gov (United States)

Rink, M.; Himmerlich, M.; Krischok, S.; Kröger, J.

2018-01-01

Inelastic electron scattering is used to study surface phonon polaritons on H-covered and clean GaN(1 1 bar 00) surfaces. The Fuchs-Kliewer phonon of GaN(1 1 bar 00) -H gives rise to characteristic signatures of its single and multiple excitation in specular electron energy loss spectra. The loss intensities for multi-phonon scattering processes decrease according to a Poisson distribution. Vibrational spectra of this surface are invariant on the time scale of days reflecting its chemical passivation by the H layer. In contrast, vibrational spectra of pristine GaN(1 1 bar 00) are subject to a pronounced temporal evolution where spectroscopic weight is gradually shifted towards the multiple excitation of the Fuchs-Kliewer phonon. As a consequence, the monotonous decrease of the cross section for multiple quantum excitation as observed for the H-covered surface is not applicable. This remarkable effect is particularly strong in spectra acquired at low primary energies of incident electrons, which hints at processes occurring in the very surface region. Scenarios that may contribute to these observations are discussed.

Computational modeling of geometry dependent phonon transport in silicon nanostructures

Science.gov (United States)

Cheney, Drew A.

Recent experiments have demonstrated that thermal properties of semiconductor nanostructures depend on nanostructure boundary geometry. Phonons are quantized mechanical vibrations that are the dominant carrier of heat in semiconductor materials and their aggregate behavior determine a nanostructure's thermal performance. Phonon-geometry scattering processes as well as waveguiding effects which result from coherent phonon interference are responsible for the shape dependence of thermal transport in these systems. Nanoscale phonon-geometry interactions provide a mechanism by which nanostructure geometry may be used to create materials with targeted thermal properties. However, the ability to manipulate material thermal properties via controlling nanostructure geometry is contingent upon first obtaining increased theoretical understanding of fundamental geometry induced phonon scattering processes and having robust analytical and computational models capable of exploring the nanostructure design space, simulating the phonon scattering events, and linking the behavior of individual phonon modes to overall thermal behavior. The overall goal of this research is to predict and analyze the effect of nanostructure geometry on thermal transport. To this end, a harmonic lattice-dynamics based atomistic computational modeling tool was created to calculate phonon spectra and modal phonon transmission coefficients in geometrically irregular nanostructures. The computational tool is used to evaluate the accuracy and regimes of applicability of alternative computational techniques based upon continuum elastic wave theory. The model is also used to investigate phonon transmission and thermal conductance in diameter modulated silicon nanowires. Motivated by the complexity of the transmission results, a simplified model based upon long wavelength beam theory was derived and helps explain geometry induced phonon scattering of low frequency nanowire phonon modes.

Phonon dispersion relations for caesium thiocyanate

International Nuclear Information System (INIS)

Irving, M.A.; Smith, T.F.; Elcombe, M.M.

1984-01-01

Room temperature phonon dispersion relations for frequencies below 2 THz have been measured, along the three orthorhombic axes and selected diagonal directions by neutron inelastic scattering, for caesium thiocyanate. These curves, which represent 13 acoustic modes and 11 optic modes of vibration, do not agree with the dispersion behaviour calculated from the rigid-ion model developed by Ti and Ra to describe their Raman scattering observations

Magnetic ground state and magnon-phonon interaction in multiferroic h -YMnO3

Science.gov (United States)

Holm, S. L.; Kreisel, A.; Schäffer, T. K.; Bakke, A.; Bertelsen, M.; Hansen, U. B.; Retuerto, M.; Larsen, J.; Prabhakaran, D.; Deen, P. P.; Yamani, Z.; Birk, J. O.; Stuhr, U.; Niedermayer, Ch.; Fennell, A. L.; Andersen, B. M.; Lefmann, K.

2018-04-01

Inelastic neutron scattering has been used to study the magnetoelastic excitations in the multiferroic manganite hexagonal YMnO3. An avoided crossing is found between magnon and phonon modes close to the Brillouin zone boundary in the (a ,b ) plane. Neutron polarization analysis reveals that this mode has mixed magnon-phonon character. An external magnetic field along the c axis is observed to cause a linear field-induced splitting of one of the spin-wave branches. A theoretical description is performed, using a Heisenberg model of localized spins, acoustic phonon modes, and a magnetoelastic coupling via the single-ion magnetostriction. The model quantitatively reproduces the dispersion and intensities of all modes in the full Brillouin zone, describes the observed magnon-phonon hybridized modes, and quantifies the magnetoelastic coupling. The combined information, including the field-induced magnon splitting, allows us to exclude several of the earlier proposed models and point to the correct magnetic ground state symmetry, and provides an effective dynamic model relevant for the multiferroic hexagonal manganites.

``New'' energy states lead to phonon-less optoelectronic properties in nanostructured silicon

Science.gov (United States)

Singh, Vivek; Yu, Yixuan; Korgel, Brian; Nagpal, Prashant

2014-03-01

Silicon is arguably one of the most important technological material for electronic applications. However, indirect bandgap of silicon semiconductor has prevented optoelectronic applications due to phonon assistance required for photon light absorption/emission. Here we show, that previously unexplored surface states in nanostructured silicon can couple with quantum-confined energy levels, leading to phonon-less exciton-recombination and photoluminescence. We demonstrate size dependence (2.4 - 8.3 nm) of this coupling observed in small uniform silicon nanocrystallites, or quantum-dots, by direct measurements of their electronic density of states and low temperature measurements. To enhance the optical absorption of the these silicon quantum-dots, we utilize generation of resonant surface plasmon polariton waves, which leads to several fold increase in observed spectrally-resolved photocurrent near the quantum-confined bandedge states. Therefore, these enhanced light emission and absorption enhancement can have important implications for applications of nanostructured silicon for optoelectronic applications in photovoltaics and LEDs.

The phonons brownian behaviour in NaI detectors of ionizing radiation

International Nuclear Information System (INIS)

Lima, Helcio Ramos de

1996-01-01

A theoretical study for the quadratic mean displacement of quanta of vibration waves of crystalline lattices of the cubic crystals is presented. The study is applied to the inactivated NaI detector with estimates according to the behaviour of the Einstein's equation applied to the Helium. Under the aspect of photon-phonon interaction, described by Blakemore, the chaotic behaviour of the phonons open discussion about the possibility of noises in measurements of energies near 100 KeV

An ab initio investigation of vibrational, thermodynamic, and optical properties of Sc2AlC MAX compound

International Nuclear Information System (INIS)

Ali, M A; Nasir, M T; Khatun, M R; Naqib, S H; Islam, A K M A

2016-01-01

The structural vibrational, thermodynamical, and optical properties of potentially technologically important, weakly coupled MAX compound, Sc 2 AlC are calculated using density functional theory (DFT). The structural properties of Sc 2 AlC are compared with the results reported earlier. The vibrational, thermodynamical, and optical properties are theoretically estimated for the first time. The phonon dispersion curve is calculated and the dynamical stability of this compound is investigated. The optical and acoustic modes are observed clearly. We calculate the Helmholtz free energy ( F ), internal energy ( E ), entropy ( S ), and specific heat capacity ( C v ) from the phonon density of states. Various optical parameters are also calculated. The reflectance spectrum shows that this compound has the potential to be used as an efficient solar reflector. (paper)

The influence of anharmonic vibrations of the core to M2-transition between low-lying states in 115Sn

International Nuclear Information System (INIS)

Sy Savane, Y.

1995-12-01

The influence of the anharmonicity of the core vibration, on the magnetic transition 11/2 - 1 → 7/2 + 1 in 115 Sn have been investigated in the frame of the quasiparticle-phonon nuclear model. The model wave function includes a ''quasiparticle + two phonons'' component. The performed numerical calculations show that those effects cannot explain the strong reduction of the M2-transition observed in the experiment. A full agreement with the experimental value is obtained with g eff s = 0.42g free s . (author). 10 refs, 2 figs, 1 tab

Phonon-assisted damping of plasmons in three- and two-dimensional metals

Science.gov (United States)

Caruso, Fabio; Novko, Dino; Draxl, Claudia

2018-05-01

We investigate the effects of crystal lattice vibrations on the dispersion of plasmons. The loss function of the homogeneous electron gas (HEG) in two and three dimensions is evaluated numerically in the presence of electronic coupling to an optical phonon mode. Our calculations are based on many-body perturbation theory for the dielectric function as formulated by the Hedin-Baym equations in the Fan-Migdal approximation. The coupling to phonons broadens the spectral signatures of plasmons in the electron-energy loss spectrum (EELS) and it induces the decay of plasmons on timescales shorter than 1 ps. Our results further reveal the formation of a kink in the plasmon dispersion of the two-dimensional HEG, which marks the onset of plasmon-phonon scattering. Overall, these features constitute a fingerprint of plasmon-phonon coupling in EELS of simple metals. It is shown that these effects may be accounted for by resorting to a simplified treatment of the electron-phonon interaction which is amenable to first-principles calculations.

The electron–phonon coupling of fundamental, overtone, and combination modes and its effects on the resonance Raman spectra

Energy Technology Data Exchange (ETDEWEB)

Li, Shuo [State Key Laboratory of Superhard Materials, Jilin University, Changchun 130012 (China); College of Physics, Jilin University, Changchun 130012 (China); Li, Zhanlong; Wang, Shenghan; Gao, Shuqin [College of Physics, Jilin University, Changchun 130012 (China); Sun, Chenglin, E-mail: chenglin@jlu.edu.cn [State Key Laboratory of Superhard Materials, Jilin University, Changchun 130012 (China); College of Physics, Jilin University, Changchun 130012 (China); Li, Zuowei [College of Physics, Jilin University, Changchun 130012 (China)

2015-12-15

Highlights: • The Huang–Rhys factors and electron–phonon coupling constants are calculated. • The changes of overtone mode are larger than those of fundamental mode. • The variation pattern of electron–phonon coupling well interprets the changes of spectra. - Abstract: External field plays a very important role in the interaction between the π-electron transition and atomic vibration of polyenes. It has significant effects on both the Huang–Rhys factor and the electron–phonon coupling. In this paper, the visible absorption and resonance Raman spectra of all-trans-β-carotene are measured in the 345–295 K temperature range and it is found that the changes of the 0–1 and 0–2 vibration bands of the absorption spectra with the temperature lead to the different electron–phonon coupling of fundamental, overtone, and combination modes. The electron-phonon coupling constants of all the modes are calculated and analyzed under different temperatures. The variation law of the electron–phonon coupling with the temperature well interprets the changes of the resonance Raman spectra, such as the shift, intensity and line width of the overtone and combination modes, which are all greater than those of the fundamental modes.

Equation of states and phonons at high pressure of intermediate valence compound TmTe

International Nuclear Information System (INIS)

Jha, Prafulla K.; Sanyal, Sankar P.

1997-01-01

The study of equation of states and pressure dependence of the phonon frequencies of the compound TmTe have been performed by using a simple interatomic potential approach in the frame work of rigid ion model. The compressibility study confirms that below 2 GPa the valence of the Tm is 2+ while there is a valence transition from Tm 2+ to Tm 3+ above 2 GPa. The phonon frequencies of TmTe increases as pressure is increased. (author)

Effects of Thermal Lattice Vibration on the Effective Potential of Weak-Coupling Bipolaron in a Quantum Dot

International Nuclear Information System (INIS)

Eerdunchaolu; Xiao Xin; Han Chao; Xin Wei; Wuyunqimuge

2012-01-01

Based on the Huybrechts' linear-combination operator, effects of thermal lattice vibration on the effective potential of weak-coupling bipolaron in semiconductor quantum dots are studied by using the LLP variational method and quantum statistical theory. The results show that the absolute value of the induced potential of the bipolaron increases with increasing the electron-phonon coupling strength, but decreases with increasing the temperature and the distance of electrons, respectively; the absolute value of the effective potential increases with increasing the radius of the quantum dot, electron-phonon coupling strength and the distance of electrons, respectively, but decreases with increasing the temperature; the temperature and electron-phonon interaction have the important influence on the formation and state properties of the bipolaron: the bipolarons in the bound state are closer and more stable when the electron-phonon coupling strength is larger or the temperature is lower; the confinement potential and coulomb repulsive potential between electrons are unfavorable to the formation of bipolarons in the bound state. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

The Effects of Different Electron-Phonon Couplings on the Spectral and Transport Properties of Small Molecule Single-Crystal Organic Semiconductors

Directory of Open Access Journals (Sweden)

Carmine Antonio Perroni

2014-03-01

Full Text Available Spectral and transport properties of small molecule single-crystal organic semiconductors have been theoretically analyzed focusing on oligoacenes, in particular on the series from naphthalene to rubrene and pentacene, aiming to show that the inclusion of different electron-phonon couplings is of paramount importance to interpret accurately the properties of prototype organic semiconductors. While in the case of rubrene, the coupling between charge carriers and low frequency inter-molecular modes is sufficient for a satisfactory description of spectral and transport properties, the inclusion of electron coupling to both low-frequency inter-molecular and high-frequency intra-molecular vibrational modes is needed to account for the temperature dependence of transport properties in smaller oligoacenes. For rubrene, a very accurate analysis in the relevant experimental configuration has allowed for the clarification of the origin of the temperature-dependent mobility observed in these organic semiconductors. With increasing temperature, the chemical potential moves into the tail of the density of states corresponding to localized states, but this is not enough to drive the system into an insulating state. The mobility along different crystallographic directions has been calculated, including vertex corrections that give rise to a transport lifetime one order of magnitude smaller than the spectral lifetime of the states involved in the transport mechanism. The mobility always exhibits a power-law behavior as a function of temperature, in agreement with experiments in rubrene. In systems gated with polarizable dielectrics, the electron coupling to interface vibrational modes of the gate has to be included in addition to the intrinsic electron-phonon interaction. While the intrinsic bulk electron-phonon interaction affects the behavior of mobility in the coherent regime below room temperature, the coupling with interface modes is dominant for the

Quasiparticle--phonon model of the nucleus. V. Odd spherical nuclei

International Nuclear Information System (INIS)

Vdovin, A.I.; Voronov, V.V.; Solov'ev, V.G.; Stoyanov, C.

1985-01-01

The formalism of the quasiparticle--phonon model of the nucleus for odd spherical nuclei is presented. The exact commutation relations of the quasiparticle and phonon operators together with the anharmonic corrections for the phonon excitations are taken into account in the derivation of equations for the energies and structure coefficients of the wave functions of excited states, which include quasiparticle--phonon and quasiparticle--two-phonon components. The influence of various physical effects and of the dimension of the phonon basis on the fragmentation of the single-quasiparticle and quasiparticle-phonon states is investigated

Density of states and phase diagram of the antiferromagnetic spin chain with Dzyaloshinsky-Moriya interaction and spin-phonon coupling

International Nuclear Information System (INIS)

Wang Qin; Chen Hong; Zheng Hang

2007-01-01

The effects of DM interaction on the density-of-states, the dimerization and the phase diagram in the antiferromagnetic Heisenberg chain coupled with quantum phonons have been studied by a nonadiabatic analytical approach. The results show that the effect of the DM interaction is to increase the staggered antisymmetric spin exchange interaction order but to decrease the spin dimerization and their competitions result in the lattice dimerization ordering parameter to increase for large staggered DM interaction parameter β and decrease for small β. A crossover of β exists in which the dimerization ordering parameter changes non-monotonously. As the DM interaction parameter D increases, depending on the appropriate values of spin-phonon coupling, phonon frequency and β, the system undergoes phase transition from spin gapless state to gapped state or reversely and can even reenter between the two states. The relation between the phonon-staggered ordering parameter, the spin-dimer order parameter and the staggered DM interaction order parameter gives clearly their contributing weights to the lattice dimerization

The effect of driven electron-phonon coupling on the electronic conductance of a polar nanowire

Energy Technology Data Exchange (ETDEWEB)

Mardaani, Mohammad, E-mail: mohammad-m@sci.sku.ac.ir; Rabani, Hassan, E-mail: rabani-h@sci.sku.ac.ir [Department of Physics, Faculty of Science, Shahrekord University, P. O. Box 115, Shahrekord (Iran, Islamic Republic of); Nanotechnology Research Center, Shahrekord University, 8818634141 Shahrekord (Iran, Islamic Republic of); Esmaili, Esmat; Shariati, Ashrafalsadat [Department of Physics, Faculty of Science, Shahrekord University, P. O. Box 115, Shahrekord (Iran, Islamic Republic of)

2015-08-07

A semi-classical model is proposed to explore the effect of electron-phonon coupling on the coherent electronic transport of a polar chain which is confined between two rigid leads in the presence of an external electric field. To this end, we construct the model by means of Green's function technique within the nearest neighbor tight-binding and harmonic approximations. For a time-periodic electric field, the atomic displacements from the equilibrium positions are obtained precisely. The result is then used to compute the electronic transport properties of the chain within the Peierls-type model. The numerical results indicate that the conductance of the system shows interesting behavior in some special frequencies. For each special frequency, there is an electronic quasi-state in which the scattering of electrons by vibrating atoms reaches maximum. The system electronic conductance decreases dramatically at the strong electron-phonon couplings and low electron energies. In the presence of damping forces, the electron-phonon interaction has a less significant effect on the conductance.

The effect of driven electron-phonon coupling on the electronic conductance of a polar nanowire

International Nuclear Information System (INIS)

Mardaani, Mohammad; Rabani, Hassan; Esmaili, Esmat; Shariati, Ashrafalsadat

2015-01-01

A semi-classical model is proposed to explore the effect of electron-phonon coupling on the coherent electronic transport of a polar chain which is confined between two rigid leads in the presence of an external electric field. To this end, we construct the model by means of Green's function technique within the nearest neighbor tight-binding and harmonic approximations. For a time-periodic electric field, the atomic displacements from the equilibrium positions are obtained precisely. The result is then used to compute the electronic transport properties of the chain within the Peierls-type model. The numerical results indicate that the conductance of the system shows interesting behavior in some special frequencies. For each special frequency, there is an electronic quasi-state in which the scattering of electrons by vibrating atoms reaches maximum. The system electronic conductance decreases dramatically at the strong electron-phonon couplings and low electron energies. In the presence of damping forces, the electron-phonon interaction has a less significant effect on the conductance

State-to-state models of vibrational relaxation in Direct Simulation Monte Carlo (DSMC)

Science.gov (United States)

Oblapenko, G. P.; Kashkovsky, A. V.; Bondar, Ye A.

2017-02-01

In the present work, the application of state-to-state models of vibrational energy exchanges to the Direct Simulation Monte Carlo (DSMC) is considered. A state-to-state model for VT transitions of vibrational energy in nitrogen and oxygen, based on the application of the inverse Laplace transform to results of quasiclassical trajectory calculations (QCT) of vibrational energy transitions, along with the Forced Harmonic Oscillator (FHO) state-to-state model is implemented in DSMC code and applied to flows around blunt bodies. Comparisons are made with the widely used Larsen-Borgnakke model and the in uence of multi-quantum VT transitions is assessed.

Effect of the Pauli principle on the nonrotational states in odd-A deformed nuclei

International Nuclear Information System (INIS)

Bastrukov, S.I.; Nesterenko, V.O.; Soloviev, V.G.

1982-01-01

The commutation relations between the quasiparticle and phonon operators are used to obtain the equations allowing a correct accounting of the Pauli principle for the description of the states of odd-A deformed nuclei. It is shown, that if in the quasiparticle plus phonon component the Pauli principle is not violated or is slightly violated, then a relevant vibrational state may exist in an odd-A deformed nucleus

Theory and experimental evidence of phonon domains and their roles in pre-martensitic phenomena

Science.gov (United States)

Jin, Yongmei M.; Wang, Yu U.; Ren, Yang

2015-12-01

Pre-martensitic phenomena, also called martensite precursor effects, have been known for decades while yet remain outstanding issues. This paper addresses pre-martensitic phenomena from new theoretical and experimental perspectives. A statistical mechanics-based Grüneisen-type phonon theory is developed. On the basis of deformation-dependent incompletely softened low-energy phonons, the theory predicts a lattice instability and pre-martensitic transition into elastic-phonon domains via 'phonon spinodal decomposition.' The phase transition lifts phonon degeneracy in cubic crystal and has a nature of phonon pseudo-Jahn-Teller lattice instability. The theory and notion of phonon domains consistently explain the ubiquitous pre-martensitic anomalies as natural consequences of incomplete phonon softening. The phonon domains are characterised by broken dynamic symmetry of lattice vibrations and deform through internal phonon relaxation in response to stress (a particular case of Le Chatelier's principle), leading to previously unexplored new domain phenomenon. Experimental evidence of phonon domains is obtained by in situ three-dimensional phonon diffuse scattering and Bragg reflection using high-energy synchrotron X-ray single-crystal diffraction, which observes exotic domain phenomenon fundamentally different from usual ferroelastic domain switching phenomenon. In light of the theory and experimental evidence of phonon domains and their roles in pre-martensitic phenomena, currently existing alternative opinions on martensitic precursor phenomena are revisited.

Phonon dispersion in vanadium

International Nuclear Information System (INIS)

Ivanov, A.S.; Rumiantsev, A.Yu.

1999-01-01

Complete text of publication follows. Phonon dispersion curves in Vanadium metal are investigated by neutron inelastic scattering using three-axis spectrometers. Due to extremely low coherent scattering amplitude of neutrons in natural isotope mixture of vanadium the phonon frequencies could be determined in the energy range below about 15 meV. Several phonon groups were measured with the polarised neutron scattering set-up. It is demonstrated that the intensity of coherent inelastic scattering observed in the non-spin-flip channel vanishes in the spin-flip channel. The phonon density of states is measured on a single crystal keeping the momentum transfer equal to a vector of reciprocal lattice where the coherent inelastic scattering is suppressed. Phonon dispersion curves in vanadium, as measured by neutron and earlier by X-ray scattering, are described in frames of a charge-fluctuation model involving monopolar and dipolar degrees of freedom. The model parameters are compared for different transition metals with body-centred cubic-structure. (author)

Ultrafast optical generation of squeezed magnon states and long lifetime coherent LO phonons

Science.gov (United States)

Zhao, Jimin

2005-12-01

Ultrafast optical pulses have been used to generate, probe, and control low-energy elementary excitations in crystals. In particular, we report the first experimental demonstration of the generation of quantum squeezed states of magnons (collective spin-wave excitations) in a magnetic material, and new progress in experimental investigation of anharmonic interactions in a semiconductor. The mechanism for the magnon squeezing is two-magnon impulsive stimulated Raman scattering (ISRS). Femtosecond laser pulses have been used to coherently correlate degenerate counter-propagating magnons in the antiferromagnetic insulator MnF2. In the squeezed state, fluctuations of the magnetization of a crystallographic unit cell vary periodically in time and are reduced below that of the ground-state quantum noise. Similar experiments were also performed in another antiferromagnetic insulator, FeF2, for which the squeezing effect is one order of magnitude larger. We have also investigated the anharmonic interaction of the low-frequency E2 phonon in ZnO through ISRS. Temperature dependence of the linewidth and frequency indicates that the two-phonon up-conversion process is the dominant decay channel and isotopic disorder may be the main limit on the lifetime at low temperature. We have observed the longest lifetime of an optical phonon mode in a solid (211 ps at 5 K). And we have found that pump-probe experiments, compared with spontaneous Raman spectroscopy, have extremely high accuracy in determining the frequency of a low-lying excitation.

Renormalisation of Nonequilibrium Phonons Under Strong Perturbative Influences.

Science.gov (United States)

Mehta, Sushrut Madhukar

Effects of strong perturbative influences, namely the presence of a narrow distribution of acoustic phonons, and the presence of an electron plasma, on the dynamics of nonequilibrium, near zone center, longitudinal optical phonons in GaP have been investigated in two separate experiments. The study of the effects of the interaction between the LO phonons and a heavily populated, narrow distribution of acoustic phonons lead to the observation of a new optically driven nonequilibrium phonon state. Time Resolved Coherent Antistokes Raman Scattering (TR-CARS), with picosecond resolution, was used to investigate the new mode. In order to achieve high occupation numbers in the acoustic branch, the picosecond laser pulses used were amplified up to 1.0 GW/cm^2 peak power per laser beam. An important characteristic property of the new state which differentiates it from the well known LO phonon state is the fact that rather than having the single decay rate observed under thermal equilibrium, the new state has two decay rates. Moreover, these two decay rates depend strongly on the distribution of the acoustic phonon occupation number. The coupling of the LO phonons with an electron plasma, on the other hand, was investigated by measurements of the shape of the Raman scattered line associated with the phonon-plasmon coupled mode. The plasma was generated by thermal excitation of carriers in doped samples. It was possible to study a large variety of plasma excitations by controlling the concentration of the dopant and the ambient temperature. A complete, self consistant model based on standard dielectric response theory is presented, and applied to the measurements of the phonon-plasmon coupled mode. It is possible to recover, via this model, the effective coupled mode damping rate, the plasma damping rate, and the plasma frequency as functions of ambient temperature, or the carrier concentration.

Isotopic effects in vibrational relaxation dynamics of H on a Si(100) surface

Science.gov (United States)

Bouakline, F.; Lorenz, U.; Melani, G.; Paramonov, G. K.; Saalfrank, P.

2017-10-01

a net exponential decay of the time-dependent survival probability for the H-Si initial vibrational state, allowing an easy extraction of the bending mode "lifetime." This is in contrast with the D-Si system, whose survival probability exhibits a non-monotonic decay, making it difficult to define such a lifetime. This different behavior of the vibrational decay is rationalized in terms of the power spectrum of the adsorbate-surface system. In the case of D-Si, it consists of several, non-uniformly distributed peaks around the bending mode frequency, whereas the H-Si spectrum exhibits a single Lorentzian lineshape, whose width corresponds to the calculated lifetime. The present work gives some insight into mechanisms of vibration-phonon coupling at surfaces. It also serves as a benchmark for multidimensional system-bath quantum dynamics, for comparison with approximate schemes such as reduced, open-system density matrix theory (where the bath is traced out and a Liouville-von Neumann equation is solved) or approximate wavefunction methods to solve the combined system-bath Schrödinger equation.

Electron-phonon interaction and scattering in Si and Ge: Implications for phonon engineering

International Nuclear Information System (INIS)

Tandon, Nandan; Albrecht, J. D.; Ram-Mohan, L. R.

2015-01-01

We report ab-initio results for electron-phonon (e-ph) coupling and display the existence of a large variation in the coupling parameter as a function of electron and phonon dispersion. This variation is observed for all phonon modes in Si and Ge, and we show this for representative cases where the initial electron states are at the band gap edges. Using these e-ph matrix elements, which include all possible phonon modes and electron bands within a relevant energy range, we evaluate the imaginary part of the electron self-energy in order to obtain the associated scattering rates. The temperature dependence is seen through calculations of the scattering rates at 0 K and 300 K. The results provide a basis for understanding the impacts of phonon scattering vs. orientation and geometry in the design of devices, and in analysis of transport phenomena. This provides an additional tool for engineering the transfer of energy from carriers to the lattice

Phonon-assisted optical bands of nanosized powdery SrAl{sub 2}O{sub 4}:Eu{sup 2+} crystals: Evidence of a multimode Pekarian

Energy Technology Data Exchange (ETDEWEB)

Nazarov, M. [School of Materials and Mineral Resources Engineering, Universiti Sains Malaysia, Engineering Campus, 14300 Nibong Tebal, Pulau Pinang (Malaysia); Institute of Applied Physics, Academiei Street 5, Chisinau MD-2028 (Moldova, Republic of); Brik, M.G. [Institute of Physics, University of Tartu, Riia 142, Tartu 51014 (Estonia); Spassky, D. [Institute of Physics, University of Tartu, Riia 142, Tartu 51014 (Estonia); Skobeltsyn Institute of Nuclear Physics, M.V. Lomonosov Moscow State University, 119991 Moscow (Russian Federation); Tsukerblat, B., E-mail: tsuker@bgu.ac.il [Department of Chemistry, Ben-Gurion University of the Negev, Beer-Sheva 84105 (Israel); Palii, A. [Institute of Applied Physics, Academiei Street 5, Chisinau MD-2028 (Moldova, Republic of); Nazida, A. Nor [School of Materials and Mineral Resources Engineering, Universiti Sains Malaysia, Engineering Campus, 14300 Nibong Tebal, Pulau Pinang (Malaysia); Faculty of Art and Design, Universiti Teknologi MARA (Perak), Seri Iskandar 32610, Bandar Baru Seri Iskandar, Perak (Malaysia); Ahmad-Fauzi, M.N. [School of Materials and Mineral Resources Engineering, Universiti Sains Malaysia, Engineering Campus, 14300 Nibong Tebal, Pulau Pinang (Malaysia)

2013-12-09

A stoichiometric powder composed of nanosized grains of SrAl{sub 2}O{sub 4}:Eu{sup 2+} was synthesized by combustion method at 500 °C with the subsequent calcination at 1000 °C. The zero-phonon line position, parameter of the Stokes shift, heat release factor and effective phonon energy were studied experimentally and analyzed in the framework of the multimode Pekar–Huang–Rhys model. Experimental data show that the optical 4f–5d transitions in Eu{sup 2+} ion exhibit a broad asymmetric electron–vibrational bands with a pronounced structure near the maxima. The form-function of the absorption and luminescence bands are theoretically analyzed in the framework of the model of the linear electron–vibrational interaction assuming strong coupling with the local vibration (estimated Pekar–Huang–Rhys parameter a=2S=10 and frequency ℏω=509 cm{sup −1}) and relatively weak interaction with the crystal phonons. The last results in an effective temperature dependent broadening of the discrete lines corresponding to the local vibrations and to a specific shape of the whole phonon assisted band (multimode Pekarian). Providing specific interrelation between the key parameters the calculated absorption and luminescence bands exhibit peculiar temperature dependent structured peaks in a qualitative agreement with the experimental data.

Exchange Enhancement of the Electron-Phonon Interaction: The Case of Weakly Doped Two-Dimensional Multivalley Semiconductors

Science.gov (United States)

Pamuk, Betül; Zoccante, Paolo; Baima, Jacopo; Mauri, Francesco; Calandra, Matteo

2018-04-01

The effect of the exchange interaction on the vibrational properties and on the electron-phonon coupling were investigated in several recent works. In most of the cases, exchange tends to enhance the electron-phonon interaction, although the motivations for such behaviour are not completely understood. Here we consider the class of weakly doped two-dimensional multivalley semiconductors and we demonstrate that a more global picture emerges. In particular we show that in these systems, at low enough doping, even a moderate electron-electron interaction enhances the response to any perturbation inducing a valley polarization. If the valley polarization is due to the electron-phonon coupling, the electron-electron interaction results in an enhancement of the superconducting critical temperature. We demonstrate the applicability of the theory by performing random phase approximation and first principles calculations in transition metal chloronitrides. We find that exchange is responsible for the enhancement of the superconducting critical temperature in LixZrNCl and that much larger Tcs could be obtained in intercalated HfNCl if the synthesis of cleaner samples could remove the Anderson insulating state competing with superconductivity.

Creation of high-energy phonons by four-phonon processes in anisotropic phonon system of He II

International Nuclear Information System (INIS)

Adamenko, I.N.; Nemchenko, K.E.; Slipko, V.A.; Kitsenko, Yu.A.; Wyatt, A.F.G.

2007-01-01

The problem of the creation of high-energy phonons (h-phonons) by a pulse of low-energy phonons (I-phonons) moving from a heater to a detector in superfluid helium, is solved. The rate of h-phonon creation is obtained and it is shown that created h-phonons occupy a much smaller solid angle in momentum space, than the I-phonons. Analytical expression for the creation rate of h-phonon, along the symmetry axis of a pulse, are derived. It allows us to get useful approximate analytical expressions for creation rate of h-phonons. The time dependences of the parameters which describe the I-phonon pulse are obtained. This shows that half of the initial energy of I-phonon pulse can be transferred into h-phonons. The results of the calculations are compared with experimental data and we show that this theory explains a number of experimental results. The value of the momentum, which separates the I- and h-phonon subsystems, is found

Lattice Dynamics Study of Phonon Instability and Thermal Properties of Type-I Clathrate K₈Si46 under High Pressure.

Science.gov (United States)

Zhang, Wei; Zeng, Zhao Yi; Ge, Ni Na; Li, Zhi Guo

2016-07-25

For a further understanding of the phase transitions mechanism in type-I silicon clathrates K₈Si 46 , ab initio self-consistent electronic calculations combined with linear-response method have been performed to investigate the vibrational properties of alkali metal K atoms encapsulated type-I silicon-clathrate under pressure within the framework of density functional perturbation theory. Our lattice dynamics simulation results showed that the pressure induced phase transition of K₈Si 46 was believed to be driven by the phonon instability of the calthrate lattice. Analysis of the evolution of the partial phonon density of state with pressure, a legible dynamic picture for both guest K atoms and host lattice, was given. In addition, based on phonon calculations and combined with quasi-harmonic approximation, the specific heat of K₈Si 46 was derived, which agreed very well with experimental results. Also, other important thermal properties including the thermal expansion coefficients and Grüneisen parameters of K₈Si 46 under different temperature and pressure were also predicted.

Phonon manipulation with phononic crystals.

Energy Technology Data Exchange (ETDEWEB)

Kim Bongsang; Hopkins, Patrick Edward; Leseman, Zayd C.; Goettler, Drew F.; Su, Mehmet F. (University of New Mexico, Albuquerque, NM); El-Kady, Ihab Fathy; Reinke, Charles M.; Olsson, Roy H., III

2012-01-01

factor. In addition, the techniques and scientific understanding developed in the research can be applied to a wide range of materials, with the caveat that the thermal conductivity of such a material be dominated by phonon, rather than electron, transport. In particular, this includes several thermoelectric materials with attractive properties at elevated temperatures (i.e., greater than room temperature), such as silicon germanium and silicon carbide. It is reasonable that phononic crystal patterning could be used for high-temperature thermoelectric devices using such materials, with applications in energy scavenging via waste-heat recovery and thermoelectric cooling for high-performance microelectronic circuits. The only part of the ZT picture missing in this work was the experimental measurement of the Seebeck coefficient of our phononic crystal devices. While a first-order approximation indicates that the Seebeck coefficient should not change significantly from that of bulk silicon, we were not able to actually verify this assumption within the timeframe of the project. Additionally, with regards to future high-temperature applications of this technology, we plan to measure the thermal conductivity reduction factor of our phononic crystals as elevated temperatures to confirm that it does not diminish, given that the nominal thermal conductivity of most semiconductors, including silicon, decreases with temperature above room temperature. We hope to have the opportunity to address these concerns and further advance the state-of-the-art of thermoelectric materials in future projects.

Two-photon excitation processes to near-ultraviolet states in Ce3+:CaF2

International Nuclear Information System (INIS)

Hamilton, D.S.

1982-11-01

The two-photon transition to the lowest Ce 3+ 5d state in Ce 3+ :CaF 2 has been investigated. At liquid helium temperatures, a no-phonon resonance line is observed and is accompanied by a vibrational sideband. The peak cross section for this transition is of order 1 x 10 -53 cm 4 s indicating strong parity mixing for the 5d levels. The no-phonon line shows a polarization anisotropy consistent with a tetragonal Ce 3+ site of C 4 /sub V/ symmetry. The phonon side band shows a different anisotropy than the no-phonon line and its polarization characteristics are a function of phonon frequency and temperature

Vibrational entropies in metallic alloys

Science.gov (United States)

Ozolins, Vidvuds; Asta, Mark; Wolverton, Christopher

2000-03-01

Recently, it has been recognized that vibrational entropy can have significant effects on the phase stability of metallic alloys. Using density functional linear response calculations and molecular dynamics simulations we study three representative cases: (i) phase diagram of Al-rich Al-Sc alloys, (ii) stability of precipitate phases in CuAl_2, and (iii) phonon dynamics in bcc Zr. We find large vibrational entropy effects in all cases. In the Al-Sc system, vibrations increase the solid solubility of Sc in Al by decreasing the stability of the L12 (Al_3Sc) phase. This leads to a nearly ten-fold increase in the solid solubility of Sc in Al at T=800 K. In the Cu-Al system, our calculations predict that the tetragonal Laves phase of CuAl2 has 0.35 kB/atom higher vibrational entropy than the cubic CaF_2-type phase (the latter is predicted to be the T=0 K ground state of CuAl_2). This entropy difference causes a structural transformation in CuAl2 precipitates from the fluorite to the tetragonal Laves phase around T=500 K. Finally, we analyze the highly unusual dynamics of anharmonically stabilized bcc Zr, finding large diffuse-scattering intensity streaks between the bcc Bragg peaks.

Many-body Green’s function theory for electron-phonon interactions: Ground state properties of the Holstein dimer

International Nuclear Information System (INIS)

Säkkinen, Niko; Leeuwen, Robert van; Peng, Yang; Appel, Heiko

2015-01-01

We study ground-state properties of a two-site, two-electron Holstein model describing two molecules coupled indirectly via electron-phonon interaction by using both exact diagonalization and self-consistent diagrammatic many-body perturbation theory. The Hartree and self-consistent Born approximations used in the present work are studied at different levels of self-consistency. The governing equations are shown to exhibit multiple solutions when the electron-phonon interaction is sufficiently strong, whereas at smaller interactions, only a single solution is found. The additional solutions at larger electron-phonon couplings correspond to symmetry-broken states with inhomogeneous electron densities. A comparison to exact results indicates that this symmetry breaking is strongly correlated with the formation of a bipolaron state in which the two electrons prefer to reside on the same molecule. The results further show that the Hartree and partially self-consistent Born solutions obtained by enforcing symmetry do not compare well with exact energetics, while the fully self-consistent Born approximation improves the qualitative and quantitative agreement with exact results in the same symmetric case. This together with a presented natural occupation number analysis supports the conclusion that the fully self-consistent approximation describes partially the bipolaron crossover. These results contribute to better understanding how these approximations cope with the strong localizing effect of the electron-phonon interaction

Systematic design of phononic band-gap materials and structures by topology optimization

DEFF Research Database (Denmark)

Sigmund, Ole; Jensen, Jakob Søndergaard

2003-01-01

Phononic band-gap materials prevent elastic waves in certain frequency ranges from propagating, and they may therefore be used to generate frequency filters, as beam splitters, as sound or vibration protection devices, or as waveguides. In this work we show how topology optimization can be used...... to design and optimize periodic materials and structures exhibiting phononic band gaps. Firstly, we optimize infinitely periodic band-gap materials by maximizing the relative size of the band gaps. Then, finite structures subjected to periodic loading are optimized in order to either minimize the structural...

Simulation of Terahertz Frequency Sources. Polar-Optical Phonon Enhancement of Harmonic Generation in Schottky Diodes

National Research Council Canada - National Science Library

Gelmont, Boris

2002-01-01

... polar optical vibration frequency When a high frequency input signal is applied to a frequency multiplier device polar-optical phonons can enhance the non-linearities inherent in this device, enabling...

Toward yrast spectroscopy in soft vibrational nuclei. A microscopic theory of the large amplitude collective motion of soft nuclei

International Nuclear Information System (INIS)

Marumori, Toshio; Kuriyama, Atsushi; Sakata, Fumihiko

1980-01-01

In a formally parallel way with that exciting progress has been recently achieved in understanding the yrast spectra of the rotational nuclei in terms of the quasi-particle motion in the rotating frame, an attempt to understand the yrast spectra of the vibrational nuclei in terms of the quasi-particle motion is proposed. The essential idea is to introduce the quasi-particle motion in a generalized vibrating frame, which can be regarded as a rotating frame in the gauge space of 'physical' phonons where the number of the physical phonons plays the role of the angular momentum. On the basis of a simple fundamental principle called as the 'invariance principle of the Schroedinger equation', which leads us to the 'maximal decoupling' between the physical phonon and the intrinsic modes, it is shown that the vibrational frame as well as the physical-phonon-number operator represented by the quasi-particles can be self-consistently determined. A new scope toward the yrast spectroscopy of the vibrational nuclei in terms of the quasi-particle motion is discussed

Matrix-product-state method with local basis optimization for nonequilibrium electron-phonon systems

Science.gov (United States)

Heidrich-Meisner, Fabian; Brockt, Christoph; Dorfner, Florian; Vidmar, Lev; Jeckelmann, Eric

We present a method for simulating the time evolution of quasi-one-dimensional correlated systems with strongly fluctuating bosonic degrees of freedom (e.g., phonons) using matrix product states. For this purpose we combine the time-evolving block decimation (TEBD) algorithm with a local basis optimization (LBO) approach. We discuss the performance of our approach in comparison to TEBD with a bare boson basis, exact diagonalization, and diagonalization in a limited functional space. TEBD with LBO can reduce the computational cost by orders of magnitude when boson fluctuations are large and thus it allows one to investigate problems that are out of reach of other approaches. First, we test our method on the non-equilibrium dynamics of a Holstein polaron and show that it allows us to study the regime of strong electron-phonon coupling. Second, the method is applied to the scattering of an electronic wave packet off a region with electron-phonon coupling. Our study reveals a rich physics including transient self-trapping and dissipation. Supported by Deutsche Forschungsgemeinschaft (DFG) via FOR 1807.

Theory of the Influence of Phonon-Phonon and Electron-Phonon Interactions on the Scattering of Neutrons by Crystals

International Nuclear Information System (INIS)

Kokkedee, J.J.J.

1963-01-01

As predicted by harmonic theory the coherent inelastic spectrums of neutrons, scattered by a single, non-conducting crystal, for a particular angle of scattering consists of a number of delta-function peaks superposed on a continuous background. The peaks correspond to one-phonon processes in which one phonon is absorbed or emitted by the neutron; the background arises from multi-phonon processes. When anharmonic forces (phonon-phonon interactions) are present, the delta-function peaks are broadened into finite peaks, while their central frequencies are shifted with respect to the harmonic values. In the case of a metal there is in addition to phonon-phonon interactions an interaction between phonons and conduction electrons, which also gives a contribution to the displacement and broadening oftheone-phononpeaks. Continuing earlier work of Van Hove (sho considered the relatively simple case of a non-conductin crystal in its ground state (T = 0 o K) ), we have studied the shifts and widths of the scattering peaks as a 'result of the above-mentioned interactions by means of many particle perturbation theory, making extensive use of diagram techniques. Prerequisite to the entire discussion is the assumption that, independent of the strength of the interactions, the width of each peak is small compared to the value of the frequency at its centre; only then the peaks can be considered as being well defined with respect to the background to higher order in the interactions. This condition is expected to be fulfilled for temperatures which are not too high and values of the phonon wave vector which are not too large. Our procedure yields closed formulae for the partial scattering function describing the peaks, which can be evaluated to arbitrarily high accuracy. In particular an expansion for calculating the line shift and line width in powers of u/d and in terms of simple connected diagrams is obtained (u is an average atomic or ionic displacement, d is the smallest

Features of the Percolation Scheme of Vibrational Spectrum Reconstruction in the Ga1 - x Al x P Alloy

Science.gov (United States)

Kozyrev, S. P.

2018-04-01

Specific features of the properties of Ga-P lattice vibrations have been investigated using the percolation model of a mixed Ga1 - x Al x P crystal (alloy) with zero lattice mismatch between binary components of the alloy. In contrast to other two-mode alloy systems, in Ga1 - x Al x P a percolation splitting of δ 13 cm-1 is observed for the low-frequency mode of GaP-like vibrations. An additional GaP mode (one of the percolation doublet components) split from the fundamental mode is observed for the GaP-rich alloy, which coincides in frequency with the gap corresponding to the zero density of one-phonon states of the GaP crystal. The vibrational spectrum of impurity Al in the GaP crystal has been calculated using the theory of crystal lattice dynamics. Upon substitution of lighter Al for the Ga atom, the calculated spectrum includes, along with the local mode, a singularity near the gap with the zero density of phonon states of the GaP crystal, which coincides with the mode observed experimentally at a frequency of 378 cm-1 in the Ga1 - x Al x P ( x < 0.4) alloy.

Shape Transitional Nuclei: What can we learn from the Yrare States? or Hello the Double Vacuum; Goodbye β-vibrations!

International Nuclear Information System (INIS)

Sharpey-Schafer, J. F.; Mullins, S. M.; Bark, R. A.; Gueorguieva, E.; Kau, J.; Komati, F.; Lawrie, J. J.; Murray, S. H. T.; Ncapayi, N. J.; Maine, P.; Minkova, A.; Vymers, P.

2008-01-01

The results of our measurements on the yrare states up to spin 20(ℎ/2π) in 152,154,155 Gd, using (α,xn) reactions and the AFRODITE γ-ray spectrometer, are presented. We find that in 155 Gd the decay scheme is divided into levels feeding the [505]11/2 - band, that is extruded by the prolate deformation from the h 11/2 orbital, and levels feeding the i 13/2 [651]3/2 + intruder orbital and the h 9/2 [521]3/2 - orbital. The decay scheme of 154 Gd is very complex. We find no evidence for the existence of β-vibrational levels below 1.5 MeV. We discover that the level scheme can be best understood as a set of collective states built on the ground state configuration |0 1 + > plus a 'congruent' set of collective states based on the |0 2 + > state at 681 keV. The data suggest that this second vacuum has reduced pairing. Our data do not support IBA and phonon interpretations of these transitional nuclei

Shape Transitional Nuclei: What can we learn from the Yrare States? or Hello the Double Vacuum; Goodbye β-vibrations!

Science.gov (United States)

Sharpey-Schafer, J. F.; Mullins, S. M.; Bark, R. A.; Gueorguieva, E.; Kau, J.; Komati, F.; Lawrie, J. J.; Maine, P.; Minkova, A.; Murray, S. H. T.; Ncapayi, N. J.; Vymers, P.

2008-05-01

The results of our measurements on the yrare states up to spin 20ℏ in 152,154,155Gd, using (α,xn) reactions and the AFRODITE γ-ray spectrometer, are presented. We find that in 155Gd the decay scheme is divided into levels feeding the [505]11/2- band, that is extruded by the prolate deformation from the h11/2 orbital, and levels feeding the i13/2[651]3/2+ intruder orbital and the h9/2[521]3/2- orbital. The decay scheme of 154Gd is very complex. We find no evidence for the existence of β-vibrational levels below 1.5 MeV. We discover that the level scheme can be best understood as a set of collective states built on the ground state configuration |01+> plus a ``congruent'' set of collective states based on the |02+> state at 681 keV. The data suggest that this second vacuum has reduced pairing. Our data do not support IBA and phonon interpretations of these transitional nuclei.

Manipulation of Phonons with Phononic Crystals

Energy Technology Data Exchange (ETDEWEB)

Leseman, Zayd Chad [Univ. of New Mexico, Albuquerque, NM (United States)

2015-07-09

There were three research goals associated with this project. First, was to experimentally demonstrate phonon spectrum control at THz frequencies using Phononic Crystals (PnCs), i.e. demonstrate coherent phonon scattering with PnCs. Second, was to experimentally demonstrate analog PnC circuitry components at GHz frequencies. The final research goal was to gain a fundamental understanding of phonon interaction using computational methods. As a result of this work, 7 journal papers have been published, 1 patent awarded, 14 conference presentations given, 4 conference publications, and 2 poster presentations given.

From pair correlations to the quasi-particle-phonon nuclear model

International Nuclear Information System (INIS)

Solov'ev, V.G.

1986-01-01

Modern state of the nucleus theory is discussed. The main attention is paid to pair correlation theory of superconducting type and quasiparticle - phonon nucleus model. Pair correlation account allowed one to describe in detail a series of nucleus properties which did not fall within the framework of earlier known models as, for example, double-quasi-particle states in even-even deformed nuclei. To describe the wave function low-quasi-particle components at low, mean and high excitation energies, the nucleus quasi-particle-phonon model is formulated. The strength function method is used in the model and fragmentation of mono-quasi-particle, mono-phonon states and quasi-particle phonon state by many nuclear levels is calculated

Flexural phonon limited phonon drag thermopower in bilayer graphene

Science.gov (United States)

Ansari, Mohd Meenhaz; Ashraf, SSZ

2018-05-01

We investigate the phonon drag thermopower from flexural phonons as a function of electron temperature and carrier concentration in the Bloch-Gruneisen regime in non-strained bilayer graphene using Boltzmann transport equation approach. The flexural phonons are expected to be the major source of intrinsic scattering mechanism in unstrained bilayer graphene due to their large density. The flexural phonon modes dispersion relation is quadratic so these low energy flexural phonons abound at room temperature and as a result deform the bilayer graphene sheet in the out of plane direction and affects the transport properties. We also produce analytical result for phonon-drag thermopower from flexural phonons and find that phonon-drag thermopower depicts T2 dependence on temperature and n-1 on carrier concentration.

Amplitude-dependent topological edge states in nonlinear phononic lattices

Science.gov (United States)

Pal, Raj Kumar; Vila, Javier; Leamy, Michael; Ruzzene, Massimo

2018-03-01

This work investigates the effect of nonlinearities on topologically protected edge states in one- and two-dimensional phononic lattices. We first show that localized modes arise at the interface between two spring-mass chains that are inverted copies of each other. Explicit expressions derived for the frequencies of the localized modes guide the study of the effect of cubic nonlinearities on the resonant characteristics of the interface, which are shown to be described by a Duffing-like equation. Nonlinearities produce amplitude-dependent frequency shifts, which in the case of a softening nonlinearity cause the localized mode to migrate to the bulk spectrum. The case of a hexagonal lattice implementing a phononic analog of a crystal exhibiting the quantum spin Hall effect is also investigated in the presence of weakly nonlinear cubic springs. An asymptotic analysis provides estimates of the amplitude dependence of the localized modes, while numerical simulations illustrate how the lattice response transitions from bulk-to-edge mode-dominated by varying the excitation amplitude. In contrast with the interface mode of the first example studies, this occurs both for hardening and softening springs. The results of this study provide a theoretical framework for the investigation of nonlinear effects that induce and control topologically protected wave modes through nonlinear interactions and amplitude tuning.

Jauch-Piron system of imprimitivities for phonons. II. The Wigner function formalism

Science.gov (United States)

Banach, Zbigniew; Piekarski, Sławomir

1993-01-01

In 1932 Wigner defined and described a quantum mechanical phase space distribution function for a system composed of many identical particles of positive mass. This function has the property that it can be used to calculate a class of quantum mechanical averages in the same manner as the classical phase space distribution function is used to calculate classical averages. Considering the harmonic vibrations of a system of n atoms bound to one another by elastic forces and treating them as a gas of indistinguishable Bose particles, phonons, the primary objective of this paper is to show under which circumstances the Wigner formalism for classical particles can be extended to cover also the phonon case. Since the phonons are either strongly or weakly localizable particles (as described in a companion paper), the program of the present approach consists in applying the Jauch-Piron quantum description of localization in (discrete) space to the phonon system and then in deducing from such a treatment the explicit expression for the phonon analogue of the Wigner distribution function. The characteristic new features of the “phase-space” picture for phonons (as compared with the situation in ordinary theory) are pointed out. The generalization of the method to the case of relativistic particles is straightforward.

Nuclear catalysis mediated by localized anharmonic vibrations

OpenAIRE

Dubinko, Vladimir

2015-01-01

In many-body nonlinear systems with sufficient anharmonicity, a special kind of lattice vibrations, namely, Localized Anharmonic Vibrations (LAVs) can be excited either thermally or by external triggering, in which the amplitude of atomic oscillations greatly exceeds that of harmonic oscillations (phonons) that determine the system temperature. Coherency and persistence of LAVs may have drastic effect on quantum tunneling due to correlation effects discovered by Schrodinger and Robertson in 1...

Resonant vibrations of self-interstitials in fcc metals with application to specific heat and neutron scattering

International Nuclear Information System (INIS)

Ram, P.N.; Dederichs, P.H.

1981-07-01

Some aspects of resonant vibrations of self-interstitials in the 100-dumbbell configuration in fcc-metals are discussed by extending previous calculations of Zeller et al. and Schober et al. Employing a simple defect model with nearest-neighbour interaction the local frequency spectrum of the defect is calculated showing several localized modes and low-frequency resonant modes. The change in the total density of states due to the defects is expressed as the derivative of a generalized phase shift which is used to calculate the change in the lattic specific heat due to single interstitials. Inelastic neutron scattering away from the one-phonon lines is proposed as a method to observe the resonant modes induced by self-interstitials. The model calculation in Cu shows that the well defined resonant modes due to dumbbell vibrations have appreciable intensity and could presumably be detected in neutron scattering measurements. The effect of di-interstitials on the phonon dispersion in Al is also discussed. (orig./GSCH)

Electron-phonon interaction on an Al(001) surface

International Nuclear Information System (INIS)

Sklyadneva, I Yu; Chulkov, E V; Echenique, P M

2008-01-01

We report an ab initio study of the electron-phonon (e-ph) interaction and its contribution to the lifetime broadening of excited hole (electron) surface states on Al(001). The calculations based on density-functional theory were carried out using a linear response approach in the plane-wave pseudopotential representation. The obtained results show that both the electron-phonon coupling and the linewidth experience a weak variation with the energy and momentum position of a hole (electron) surface state in the energy band. An analysis of different contributions to the e-ph coupling reveals that bulk phonon modes turn out to be more involved in the scattering processes of excited electrons and holes than surface phonon modes. It is also shown that the role of the e-ph coupling in the broadening of the Rayleigh surface phonon mode is insignificant compared to anharmonic effects

Engineering dissipation with phononic spectral hole burning

Science.gov (United States)

Behunin, R. O.; Kharel, P.; Renninger, W. H.; Rakich, P. T.

2017-03-01

Optomechanics, nano-electromechanics, and integrated photonics have brought about a renaissance in phononic device physics and technology. Central to this advance are devices and materials supporting ultra-long-lived photonic and phononic excitations that enable novel regimes of classical and quantum dynamics based on tailorable photon-phonon coupling. Silica-based devices have been at the forefront of such innovations for their ability to support optical excitations persisting for nearly 1 billion cycles, and for their low optical nonlinearity. While acoustic phonon modes can persist for a similar number of cycles in crystalline solids at cryogenic temperatures, it has not been possible to achieve such performance in silica, as silica becomes acoustically opaque at low temperatures. We demonstrate that these intrinsic forms of phonon dissipation are greatly reduced (by >90%) by nonlinear saturation using continuous drive fields of disparate frequencies. The result is a form of steady-state phononic spectral hole burning that produces a wideband transparency window with optically generated phonon fields of modest (nW) powers. We developed a simple model that explains both dissipative and dispersive changes produced by phononic saturation. Our studies, conducted in a microscale device, represent an important step towards engineerable phonon dynamics on demand and the use of glasses as low-loss phononic media.

Effective electron mass and phonon modes in n-type hexagonal InN

Science.gov (United States)

Kasic, A.; Schubert, M.; Saito, Y.; Nanishi, Y.; Wagner, G.

2002-03-01

Infrared spectroscopic ellipsometry and micro-Raman scattering are used to study vibrational and electronic properties of high-quality hexagonal InN. The 0.22-μm-thick highly n-conductive InN film was grown on c-plane sapphire by radio-frequency molecular-beam epitaxy. Combining our results from the ellipsometry data analysis with Hall-effect measurements, the isotropically averaged effective electron mass in InN is determined as 0.14m0. The resonantly excited zone center E1 (TO) phonon mode is observed at 477 cm-1 in the ellipsometry spectra. Despite the high electron concentration in the film, a strong Raman mode occurs in the spectral range of the unscreened A1(LO) phonon. Because an extended carrier-depleted region at the sample surface can be excluded from the ellipsometry-model analysis, we assign this mode to the lower branch of the large-wave-vector LO-phonon-plasmon coupled modes arising from nonconserving wave-vector scattering processes. The spectral position of this mode at 590 cm-1 constitutes a lower limit for the unscreened A1(LO) phonon frequency.

Topological phononic insulator with robust pseudospin-dependent transport

Science.gov (United States)

Xia, Bai-Zhan; Liu, Ting-Ting; Huang, Guo-Liang; Dai, Hong-Qing; Jiao, Jun-Rui; Zang, Xian-Guo; Yu, De-Jie; Zheng, Sheng-Jie; Liu, Jian

2017-09-01

Topological phononic states, which facilitate unique acoustic transport around defects and disorders, have significantly revolutionized our scientific cognition of acoustic systems. Here, by introducing a zone folding mechanism, we realize the topological phase transition in a double Dirac cone of the rotatable triangular phononic crystal with C3 v symmetry. We then investigate the distinct topological edge states on two types of interfaces of our phononic insulators. The first one is a zigzag interface which simultaneously possesses a symmetric mode and an antisymmetric mode. Hybridization of the two modes leads to a robust pseudospin-dependent one-way propagation. The second one is a linear interface with a symmetric mode or an antisymmetric mode. The type of mode is dependent on the topological phase transition of the phononic insulators. Based on the rotatability of triangular phononic crystals, we consider several complicated contours defined by the topological zigzag interfaces. Along these contours, the acoustic waves can unimpededly transmit without backscattering. Our research develops a route for the exploration of the topological phenomena in experiments and provides an excellent framework for freely steering the acoustic backscattering-immune propagation within topological phononic structures.

Laser diagnostics of high vibrational and rotational H2-states

International Nuclear Information System (INIS)

Mosbach, Th.; Schulz-von der Gathen, V.; Doebele, H.F.

2002-01-01

We report on measurements of vibrational and rotational excited electronic-ground-state hydrogen molecules in a magnetic multipole plasma source by LIF with VUV radiation. The measurements are taken after rapid shut-off of the discharge current. Absolute level populations are obtained using Rayleigh scattering calibration with Krypton. The theoretically predicted suprathermal population of the vibrational distribution is clearly identified. We found also non-Boltzmann rotational distributions for the high vibrational states. The addition of noble gases (Argon and Xenon) to hydrogen leads to a decrease of the vibrational population. (Abstract Copyright [2002], Wiley Periodicals, Inc.)

Decay of 1, 2 and 3-phonon states in 40Ca

International Nuclear Information System (INIS)

Fallot, M.; Scarpaci, J.A.; Frascaria, N.; Blumenfeld, Y.; Chbihi, A.; Chomaz, Ph.; Desesquelles, P.; Frankland, J.; Khan, E.; Laville, J.L.; Plagnol, E.; Pollacco, E.C.; Roussel-Chomaz, P.; Roynette, J.C.; Shrivastava, A.; Zerguerras, T.

2007-01-01

Inelastic scattering of 40 Ca on 40 Ca at 50 A.MeV has been measured in coincidence with protons at the GANIL facility using a very performant set-up. The SPEG spectrometer was associated with 240 CsI(Tl) scintillators of the INDRA 4π array, allowing for the measurement of complete decay events. The missing energy method was applied to these events to study the particle decay of collective states. For events with excitation energy between 42 and 55 MeV, a direct decay branch by three protons towards the low energy states of 37 Cl gives the first evidence for a 3-phonon giant resonance state. A significant direct decay branch by alpha-particles of the GQR is also measured for the first time

Nonadiabatic effects on surfaces: Kohn anomaly, electronic damping of adsorbate vibrations, and local heating of single molecules

International Nuclear Information System (INIS)

Kroeger, J

2008-01-01

Three aspects of electron-phonon coupling at metal surfaces are reviewed. One aspect is the Kohn effect, which describes an anomalous dispersion relation of surface phonons due to quasi-one-dimensional nesting of Fermi surface contours. The combination of electron energy loss spectroscopy and angle-resolved photoelectron spectroscopy allows us to unambiguously characterize Kohn anomaly systems. A second aspect is the nonadiabatic damping of adsorbate vibrations. Characteristic spectroscopic line shapes of vibrational modes allow us to estimate the amount of energy transfer between the vibrational mode and electron-hole pairs. Case studies of a Kohn anomaly and nonadiabatic damping are provided by the hydrogen- and deuterium-covered Mo(110) surface. As a third aspect of interaction between electrons and phonons, local heating of a C 60 molecule adsorbed on Cu(100) and in contact with the tip of a scanning tunnelling microscope is covered

Anomalous vibrational properties in the continuum limit of glasses

Science.gov (United States)

Shimada, Masanari; Mizuno, Hideyuki; Ikeda, Atsushi

2018-02-01

The low-temperature thermal properties of glasses are anomalous with respect to those of crystals. These thermal anomalies indicate that the low-frequency vibrational properties of glasses differ from those of crystals. Recent studies revealed that, in the simplest model of glasses, i.e., the harmonic potential system, phonon modes coexist with soft localized modes in the low-frequency (continuum) limit. However, the nature of low-frequency vibrational modes of more realistic models is still controversial. In the present work, we study the Lennard-Jones (LJ) system using large-scale molecular-dynamics (MD) simulation and establish that the vibrational property of the LJ glass converges to coexistence of the phonon modes and the soft localized modes in the continuum limit as in the case of the harmonic potential system. Importantly, we find that the low-frequency vibrations are rather sensitive to the numerical scheme of potential truncation, which is usually implemented in the MD simulation, and this is the reason why contradictory arguments have been reported by previous works. We also discuss the physical origin of this sensitiveness by means of a linear stability analysis.

First Principles Modeling of Phonon Heat Conduction in Nanoscale Crystalline Structures

International Nuclear Information System (INIS)

Mazumder, Sandip; Li, Ju

2010-01-01

The inability to remove heat efficiently is currently one of the stumbling blocks toward further miniaturization and advancement of electronic, optoelectronic, and micro-electro-mechanical devices. In order to formulate better heat removal strategies and designs, it is first necessary to understand the fundamental mechanisms of heat transport in semiconductor thin films. Modeling techniques, based on first principles, can play the crucial role of filling gaps in our understanding by revealing information that experiments are incapable of. Heat conduction in crystalline semiconductor films occurs by lattice vibrations that result in the propagation of quanta of energy called phonons. If the mean free path of the traveling phonons is larger than the film thickness, thermodynamic equilibrium ceases to exist, and thus, the Fourier law of heat conduction is invalid. In this scenario, bulk thermal conductivity values, which are experimentally determined by inversion of the Fourier law itself, cannot be used for analysis. The Boltzmann Transport Equation (BTE) is a powerful tool to treat non-equilibrium heat transport in thin films. The BTE describes the evolution of the number density (or energy) distribution for phonons as a result of transport (or drift) and inter-phonon collisions. Drift causes the phonon energy distribution to deviate from equilibrium, while collisions tend to restore equilibrium. Prior to solution of the BTE, it is necessary to compute the lifetimes (or scattering rates) for phonons of all wave-vector and polarization. The lifetime of a phonon is the net result of its collisions with other phonons, which in turn is governed by the conservation of energy and momentum during the underlying collision processes. This research project contributed to the state-of-the-art in two ways: (1) by developing and demonstrating a calibration-free simple methodology to compute intrinsic phonon scattering (Normal and Umklapp processes) time scales with the inclusion

Account of the Pauli principle in the quasiparticle-phonon nuclear model

International Nuclear Information System (INIS)

Molina, Kh.L.

1980-01-01

The correlation effects in the ground states of even-even deformed nuclei on their one- and two-phonon states are studied in terms of the semimicroscopic nuclear theory. A secular equation for one-phonon excitations is derived, which take into account, in average, exact commutation relations between quasiparticle operators. It is demonstrated, that the account of the correlation in the ground state can significantly influence the values of the wave function two-phonon components

Structural, dynamic, and vibrational properties during heat transfer in Si/Ge superlattices: A Car-Parrinello molecular dynamics study

Energy Technology Data Exchange (ETDEWEB)

Ji, Pengfei; Zhang, Yuwen, E-mail: zhangyu@missouri.edu [Department of Mechanical and Aerospace Engineering, University of Missouri, Columbia, Missouri 65211 (United States); Yang, Mo [College of Energy and Power Engineering, University of Shanghai for Science and Technology, Shanghai 200093 (China)

2013-12-21

The structural, dynamic, and vibrational properties during heat transfer process in Si/Ge superlattices are studied by analyzing the trajectories generated by the ab initio Car-Parrinello molecular dynamics simulation. The radial distribution functions and mean square displacements are calculated and further discussions are made to explain and probe the structural changes relating to the heat transfer phenomenon. Furthermore, the vibrational density of states of the two layers (Si/Ge) are computed and plotted to analyze the contributions of phonons with different frequencies to the heat conduction. Coherent heat conduction of the low frequency phonons is found and their contributions to facilitate heat transfer are confirmed. The Car-Parrinello molecular dynamics simulation outputs in the work show reasonable thermophysical results of the thermal energy transport process and shed light on the potential applications of treating the heat transfer in the superlattices of semiconductor materials from a quantum mechanical molecular dynamics simulation perspective.

Structural, dynamic, and vibrational properties during heat transfer in Si/Ge superlattices: A Car-Parrinello molecular dynamics study

International Nuclear Information System (INIS)

Ji, Pengfei; Zhang, Yuwen; Yang, Mo

2013-01-01

The structural, dynamic, and vibrational properties during heat transfer process in Si/Ge superlattices are studied by analyzing the trajectories generated by the ab initio Car-Parrinello molecular dynamics simulation. The radial distribution functions and mean square displacements are calculated and further discussions are made to explain and probe the structural changes relating to the heat transfer phenomenon. Furthermore, the vibrational density of states of the two layers (Si/Ge) are computed and plotted to analyze the contributions of phonons with different frequencies to the heat conduction. Coherent heat conduction of the low frequency phonons is found and their contributions to facilitate heat transfer are confirmed. The Car-Parrinello molecular dynamics simulation outputs in the work show reasonable thermophysical results of the thermal energy transport process and shed light on the potential applications of treating the heat transfer in the superlattices of semiconductor materials from a quantum mechanical molecular dynamics simulation perspective

Structural, dynamic, and vibrational properties during heat transfer in Si/Ge superlattices: A Car-Parrinello molecular dynamics study

Science.gov (United States)

Ji, Pengfei; Zhang, Yuwen; Yang, Mo

2013-12-01

The structural, dynamic, and vibrational properties during heat transfer process in Si/Ge superlattices are studied by analyzing the trajectories generated by the ab initio Car-Parrinello molecular dynamics simulation. The radial distribution functions and mean square displacements are calculated and further discussions are made to explain and probe the structural changes relating to the heat transfer phenomenon. Furthermore, the vibrational density of states of the two layers (Si/Ge) are computed and plotted to analyze the contributions of phonons with different frequencies to the heat conduction. Coherent heat conduction of the low frequency phonons is found and their contributions to facilitate heat transfer are confirmed. The Car-Parrinello molecular dynamics simulation outputs in the work show reasonable thermophysical results of the thermal energy transport process and shed light on the potential applications of treating the heat transfer in the superlattices of semiconductor materials from a quantum mechanical molecular dynamics simulation perspective.

Lattice Dynamics Study of Phonon Instability and Thermal Properties of Type-I Clathrate K8Si46 under High Pressure

Directory of Open Access Journals (Sweden)

Wei Zhang

2016-07-01

Full Text Available For a further understanding of the phase transitions mechanism in type-I silicon clathrates K8Si46, ab initio self-consistent electronic calculations combined with linear-response method have been performed to investigate the vibrational properties of alkali metal K atoms encapsulated type-I silicon-clathrate under pressure within the framework of density functional perturbation theory. Our lattice dynamics simulation results showed that the pressure induced phase transition of K8Si46 was believed to be driven by the phonon instability of the calthrate lattice. Analysis of the evolution of the partial phonon density of state with pressure, a legible dynamic picture for both guest K atoms and host lattice, was given. In addition, based on phonon calculations and combined with quasi-harmonic approximation, the specific heat of K8Si46 was derived, which agreed very well with experimental results. Also, other important thermal properties including the thermal expansion coefficients and Grüneisen parameters of K8Si46 under different temperature and pressure were also predicted.

Phonon superradiance and phonon laser effect in nanomagnets.

Science.gov (United States)

Chudnovsky, E M; Garanin, D A

2004-12-17

We show that the theory of spin-phonon processes in paramagnetic solids must take into account the coherent generation of phonons by the magnetic centers. This effect should drastically enhance spin-phonon rates in nanoscale paramagnets and in crystals of molecular nanomagnets.

Quantum Phonon Optics: Squeezing Quantum Noise in the Atomic Displacements.

Science.gov (United States)

Hu, X.; Nori, F.

1996-03-01

We have investigated(X. Hu and F. Nori, Physical Review B, in press; preprints.) coherent and squeezed quantum states of phonons. Squeezed states are interesting because they allow the possibility of modulating the quantum fluctuations of atomic displacements below the zero-point quantum noise level of phonon vacuum states. We have studiedfootnotemark[1] the possibility of squeezing quantum noise in the atomic displacement using a polariton-based approach and also a method based on the three-phonon anharmonic interaction. Our focus here is on the first approach. We have diagonalized the polariton Hamiltonian and calculated the corresponding expectation values and fluctuations of both the atomic displacement and the lattice amplitude operators (the later is the phonon analog of the electric field operator for photons). Our results shows that squeezing of quantum fluctuations in the atomic displacements can be achieved with appropriate initial states of both photon and phonon fields. The degree of squeezing is directly related to the crystal susceptibility, which is indicative of the interaction strength between the incident light and the crystal.

Probing the interatomic potential of solids with strong-field nonlinear phononics

Science.gov (United States)

von Hoegen, A.; Mankowsky, R.; Fechner, M.; Först, M.; Cavalleri, A.

2018-03-01

Nonlinear optical techniques at visible frequencies have long been applied to condensed matter spectroscopy. However, because many important excitations of solids are found at low energies, much can be gained from the extension of nonlinear optics to mid-infrared and terahertz frequencies. For example, the nonlinear excitation of lattice vibrations has enabled the dynamic control of material functions. So far it has only been possible to exploit second-order phonon nonlinearities at terahertz field strengths near one million volts per centimetre. Here we achieve an order-of-magnitude increase in field strength and explore higher-order phonon nonlinearities. We excite up to five harmonics of the A1 (transverse optical) phonon mode in the ferroelectric material lithium niobate. By using ultrashort mid-infrared laser pulses to drive the atoms far from their equilibrium positions, and measuring the large-amplitude atomic trajectories, we can sample the interatomic potential of lithium niobate, providing a benchmark for ab initio calculations for the material. Tomography of the energy surface by high-order nonlinear phononics could benefit many aspects of materials research, including the study of classical and quantum phase transitions.

The pressure dependence of structural, electronic, mechanical, vibrational, and thermodynamic properties of palladium-based Heusler alloys

Energy Technology Data Exchange (ETDEWEB)

Coban, Cansu [Balikesir Univ. (Turkey). Dept. of Physics

2017-07-01

The pressure dependent behaviour of the structural, electronic, mechanical, vibrational, and thermodynamic properties of Pd{sub 2}TiX (X=Ga, In) Heusler alloys was investigated by ab initio calculations. The lattice constant, the bulk modulus and its first pressure derivative, the electronic band structure and the density of states (DOS), mechanical properties such as elastic constants, anisotropy factor, Young's modulus, etc., the phonon dispersion curves and phonon DOS, entropy, heat capacity, and free energy were obtained under pressure. It was determined that the calculated lattice parameters are in good agreement with the literature, the elastic constants obey the stability criterion, and the phonon dispersion curves have no negative frequency which shows that the compounds are stable. The band structures at 0, 50, and 70 GPa showed valence instability at the L point which explains the superconductivity in Pd{sub 2}TiX (X=Ga, In).

A periodic piezoelectric smart structure with the integrated passive/active vibration-reduction performances

Science.gov (United States)

Wang, Yuxi; Niu, Shengkai; Hu, Yuantai

2017-06-01

The paper proposes a new piezoelectric smart structure with the integrated passive/active vibration-reduction performances, which is made of a series of periodic structural units. Every structural unit is made of two layers, one is an array of piezoelectric bimorphs (PBs) and one is an array of metal beams (MBs), both are connected as a whole by a metal plate. Analyses show that such a periodic smart structure possesses two aspects of vibration-reduction performance: one comes from its phonon crystal characteristics which can isolate those vibrations with the driving frequency inside the band gap(s). The other one comes from the electromechanical conversion of bent PBs, which is actively aimed at those vibrations with the driving frequency outside the band gap(s). By adjusting external inductance, the equivalent circuit of the proposed structure can be forced into parallel resonance such that most of the vibration energy is converted into electrical energy for dissipation by a resistance. Thus, an external circuit under the parallel resonance state is equivalent to a strong damping to the interrelated vibrating structure, which is just the action mechanism of the active vibration reduction performance of the proposed smart structure.

Vibrational properties of quasi-two-dimensional colloidal glasses with varying interparticle attraction.

Science.gov (United States)

Gratale, Matthew D; Ma, Xiaoguang; Davidson, Zoey S; Still, Tim; Habdas, Piotr; Yodh, A G

2016-10-01

We measure the vibrational modes and particle dynamics of quasi-two-dimensional colloidal glasses as a function of interparticle interaction strength. The interparticle attractions are controlled via a temperature-tunable depletion interaction. Specifically, the interparticle attraction energy is increased gradually from a very small value (nearly hard-sphere) to moderate strength (∼4k_{B}T), and the variation of colloidal particle dynamics and vibrations are concurrently probed. The particle dynamics slow monotonically with increasing attraction strength, and the particle motions saturate for strengths greater than ∼2k_{B}T, i.e., as the system evolves from a nearly repulsive glass to an attractive glass. The shape of the phonon density of states is revealed to change with increasing attraction strength, and the number of low-frequency modes exhibits a crossover for glasses with weak compared to strong interparticle attraction at a threshold of ∼2k_{B}T. This variation in the properties of the low-frequency vibrational modes suggests a new means for distinguishing between repulsive and attractive glass states.

Influence of DC electric field on the Lennard-Jones potential and phonon vibrations of carbon nanotube on catalyst

International Nuclear Information System (INIS)

Saeidi, Mohammadreza; Vaezzadeh, Majid; Badakhshan, Farzaneh

2011-01-01

Influence of DC electric field on carbon nanotube (CNT) growth in chemical vapor deposition is studied. Investigation of electric field effect in van der Waals interaction shows that increase in DC electric field raises the magnitude of attractive term of the Lennard-Jones potential. By using a theoretical model based on phonon vibrations of CNT on catalyst, it is shown that there is an optimum field for growth. Also it is observed that CNT under optimum electric field is longer than CNT in the absence of field. Finally, the relation between optimum DC electric field and type of catalyst is investigated and for some intervals of electric field, the best catalyst is introduced, which is very useful for experimental researches. -- Research highlights: → Influence of DC electric field on CNT growth in CVD. → Effect of electric field on van der Waals interaction between CNT and its catalyst. → Applying DC electric field increases attractive term of Lennard-Jonespotential. → There is an optimum DC field for CNT growth. → For catalyst with stronger van der Waals interaction, optimum field is smaller.

Structure, phonons and related properties in zinc-IV-nitride (IV = silicon, germanium, tin), scandium nitride, and rare-earth nitrides

Science.gov (United States)

Paudel, Tula R.

This thesis presents a study of the phonons and related properties in two sets of nitride compounds, whose properties are until now relatively poorly known. The Zn-IV-N2 group of compounds with the group IV elements Si, Ge and Sn, form a series analogous to the well known III-N nitride series with group III element Al, Ga, In. Structurally, they can be derived by doubling the period of III-V compounds in the plane in two directions and replacing the group-III elements with Zn and a group-IV element in a particular ordered pattern. Even though they are similar to the well-known III-V nitride compounds, the study of the properties of these materials is in its early stages. The phonons in these materials and their relation to the phonons in the corresponding group-III nitrides are of fundamental interest. They are also of practical interest because the phonon related spectra such as infrared absorption and Raman spectroscopy are sensitive to the structural quality of the material and can thus be used to quantify the degree of crystalline perfection of real samples. First-principles calculations of the phonons and related ground state properties of these compounds were carried out using Density Functional Perturbation Theory (DFPT) with the Local Density Approximation (LDA) for exchange and correlation and using a pseudopotential plane wave implementation which was developed by several authors over the last decades. The main focus of our study is on the phonons at the center of the Brillouin zone because the latter are most directly related to commonly used spectroscopies to probe the vibrations in a solid: infrared reflectivity and Raman spectroscopy. For a semiconducting or insulating compound, a splitting occurs between transverse and longitudinal phonons at the Gamma-point because of the long-range nature of electrostatic forces. The concepts required to handle this problem are reviewed. Our discussion emphasizes how the various quantities required are related to

Low-temperature thermal properties and features of the phonon spectrum of lutetium tetraboride

Energy Technology Data Exchange (ETDEWEB)

Novikov, V.V., E-mail: vvnovikov@mail.ru [Bryansk Petrovsky State University, 14 Bezhitskaya St., Bryansk 241037, Russia, (Russian Federation); Mitroshenkov, N.V., E-mail: weerm@yandex.ru [Bryansk Petrovsky State University, 14 Bezhitskaya St., Bryansk 241037, Russia, (Russian Federation); Matovnikov, A.V.; Avdashchenko, D.V. [Bryansk Petrovsky State University, 14 Bezhitskaya St., Bryansk 241037, Russia, (Russian Federation); Morozov, A.V. [Russian Timiryazev State Agrarian University, 49 Timiryazevskaya St., Moscow 127550 (Russian Federation); Pavlova, L.M.; Koltsov, V.B. [National Research University of Electronic Technology “MIET”, Moscow 124498 (Russian Federation)

2014-11-15

Highlights: • The coefficients of thermal expansion (α{sub ‖}, α{sub ⊥}) were measured for lutetium tetraboride. • The simplified Lutetium tetraboride phonon spectrum model is developed. • The Grüneisen parameters Γ, Γ{sub ‖}, Γ{sub ⊥} for lutetium tetraboride is calculated. • The anomalies of Γ{sub ‖}(T), Γ{sub ⊥}(T) at about 25 K are due to Einstein vibrations of boron sublattices. - Abstract: The coefficients of thermal expansion to the c axis (α{sub ‖}, α{sub ⊥}) were measured for lutetium tetraboride over the temperature range 4.2–300 K. The heat capacity data for lutetium tetraboride were used for the calculation of tetraboride phonon spectrum moments and also for the development of a simplified tetraboride spectrum model. The use of the heat capacity and thermal expansion data allowed the temperature changes of the Grüneisen parameters Γ, Γ{sub ‖}, Γ{sub ⊥} for tetraboride to be calculated. As a result of the approximation of Γ{sub ⊥}(T), Γ{sub ‖}(T) temperature dependencies in accordance with the chosen phonon spectrum model have been found: the anomalies of Γ{sub ⊥}(T), Γ{sub ‖}(T) are at about 25 K and then drop at lower temperatures due to the Einstein vibrations of boron sublattices.

Excitation strengths and transition radii differences of one-phonon quadrupole excitations from electron scattering on {sup 92,94}Zr and {sup 94}Mo

Energy Technology Data Exchange (ETDEWEB)

Sheikh Obeid, Abdulrahman

2014-11-01

In the framework of this thesis electron scattering experiments on low-energy excitations of {sup 92}Zr and {sup 94}Zr were performed at the S-DALINAC in a momentum transfer range q=0.3-0.6 fm{sup -1}. The nature of one-phonon symmetric and mixed-symmetric 2{sup +} and 3{sup -} states of {sup 92}Zr was investigated by comparison with predictions of the quasi-particle phonon model (QPM). Theoretical (e,e') cross sections have been calculated within the distorted wave Born approximation (DWBA) to account for Coulomb distortion effects. The reduced strengths of the one-quadrupole phonon states and the one-octupole phonon state have been extracted. The similarity of the momentum-transfer dependence of the form factors between the 2{sup +} states supports the one-phonon nature of the 2{sup +}{sub 2} state of {sup 92}Zr. A new method based on the Plane Wave Born Approximation (PWBA) for a model-independent determination of the ratio of the E2 transition strengths of fully symmetric (FSS) and mixed-symmetry (MSS) one-phonon excitations of heavy vibrational nuclei is introduced. Due to the sensitivity of electron scattering to charge distributions, the charge transition-radii difference can be determined. The basic assumptions (independence from the ratio of Coulomb corrections and from absolute values of transition radii) are tested within the Tassie model, which makes no specific assumptions about the structure of the states other than collectivity. It is shown that a PWBA analysis of the form factors, which usually fails for heavy nuclei, can nevertheless be applied in a relative analysis. This is a new promising approach to determine the ground state transition strength of the 2{sup +} MSS of vibrational nuclei with a precision limited only by the experimental information about the B(E2;2{sup +}{sub 1}→0{sup +}{sub 1}) strength. The PWBA approach furthermore provides information about differences of the proton transition radii of the respective states

Ultrafast atomic-scale visualization of acoustic phonons generated by optically excited quantum dots

Directory of Open Access Journals (Sweden)

Giovanni M. Vanacore

2017-07-01

Full Text Available Understanding the dynamics of atomic vibrations confined in quasi-zero dimensional systems is crucial from both a fundamental point-of-view and a technological perspective. Using ultrafast electron diffraction, we monitored the lattice dynamics of GaAs quantum dots—grown by Droplet Epitaxy on AlGaAs—with sub-picosecond and sub-picometer resolutions. An ultrafast laser pulse nearly resonantly excites a confined exciton, which efficiently couples to high-energy acoustic phonons through the deformation potential mechanism. The transient behavior of the measured diffraction pattern reveals the nonequilibrium phonon dynamics both within the dots and in the region surrounding them. The experimental results are interpreted within the theoretical framework of a non-Markovian decoherence, according to which the optical excitation creates a localized polaron within the dot and a travelling phonon wavepacket that leaves the dot at the speed of sound. These findings indicate that integration of a phononic emitter in opto-electronic devices based on quantum dots for controlled communication processes can be fundamentally feasible.

Skyrme RPA description of γ-vibrational states in rare-earth nuclei

Directory of Open Access Journals (Sweden)

Nesterenko V.O.

2016-01-01

Full Text Available The lowest γ-vibrational states with Kπ = 2+γ in well-deformed Dy, Er and Yb isotopes are investigated within the self-consistent separable quasiparticle random-phase-approximation (QRPA approach based on the Skyrme functional. The energies Eγ and reduced transition probabilities B(E2γ of the states are calculated with the Skyrme force SV-mas10. We demonstrate the strong effect of the pairing blocking on the energies of γ-vibrational states. It is also shown that collectivity of γ-vibrational states is strictly determined by keeping the Nilsson selection rules in the corresponding lowest 2qp configurations.

Detecting the phonon spin in magnon-phonon conversion experiments

Science.gov (United States)

Holanda, J.; Maior, D. S.; Azevedo, A.; Rezende, S. M.

2018-05-01

Recent advances in the emerging field of magnon spintronics have stimulated renewed interest in phenomena involving the interaction between spin waves, the collective excitations of spins in magnetic materials that quantize as magnons, and the elastic waves that arise from excitations in the crystal lattice, which quantize as phonons. In magnetic insulators, owing to the magnetostrictive properties of materials, spin waves can become strongly coupled to elastic waves, forming magnetoelastic waves—a hybridized magnon-phonon excitation. While several aspects of this interaction have been subject to recent scrutiny, it remains unclear whether or not phonons can carry spin. Here we report experiments on a film of the ferrimagnetic insulator yttrium iron garnet under a non-uniform magnetic field demonstrating the conversion of coherent magnons generated by a microwave field into phonons that have spin. While it is well established that photons in circularly polarized light carry a spin, the spin of phonons has had little attention in the literature. By means of wavevector-resolved Brillouin light-scattering measurements, we show that the magnon-phonon conversion occurs with constant energy and varying linear momentum, and that the light scattered by the phonons is circularly polarized, thus demonstrating that the phonons have spin.

Optimization of phononic filters via genetic algorithms

Energy Technology Data Exchange (ETDEWEB)

Hussein, M I [University of Colorado, Department of Aerospace Engineering Sciences, Boulder, Colorado 80309-0429 (United States); El-Beltagy, M A [Cairo University, Faculty of Computers and Information, 5 Dr. Ahmed Zewail Street, 12613 Giza (Egypt)

2007-12-15

A phononic crystal is commonly characterized by its dispersive frequency spectrum. With appropriate spatial distribution of the constituent material phases, spectral stop bands could be generated. Moreover, it is possible to control the number, the width, and the location of these bands within a frequency range of interest. This study aims at exploring the relationship between unit cell configuration and frequency spectrum characteristics. Focusing on 1D layered phononic crystals, and longitudinal wave propagation in the direction normal to the layering, the unit cell features of interest are the number of layers and the material phase and relative thickness of each layer. An evolutionary search for binary- and ternary-phase cell designs exhibiting a series of stop bands at predetermined frequencies is conducted. A specially formulated representation and set of genetic operators that break the symmetries in the problem are developed for this purpose. An array of optimal designs for a range of ratios in Young's modulus and density are obtained and the corresponding objective values (the degrees to which the resulting bands match the predetermined targets) are examined as a function of these ratios. It is shown that a rather complex filtering objective could be met with a high degree of success. Structures composed of the designed phononic crystals are excellent candidates for use in a wide range of applications including sound and vibration filtering.

Optimization of phononic filters via genetic algorithms

International Nuclear Information System (INIS)

Hussein, M I; El-Beltagy, M A

2007-01-01

A phononic crystal is commonly characterized by its dispersive frequency spectrum. With appropriate spatial distribution of the constituent material phases, spectral stop bands could be generated. Moreover, it is possible to control the number, the width, and the location of these bands within a frequency range of interest. This study aims at exploring the relationship between unit cell configuration and frequency spectrum characteristics. Focusing on 1D layered phononic crystals, and longitudinal wave propagation in the direction normal to the layering, the unit cell features of interest are the number of layers and the material phase and relative thickness of each layer. An evolutionary search for binary- and ternary-phase cell designs exhibiting a series of stop bands at predetermined frequencies is conducted. A specially formulated representation and set of genetic operators that break the symmetries in the problem are developed for this purpose. An array of optimal designs for a range of ratios in Young's modulus and density are obtained and the corresponding objective values (the degrees to which the resulting bands match the predetermined targets) are examined as a function of these ratios. It is shown that a rather complex filtering objective could be met with a high degree of success. Structures composed of the designed phononic crystals are excellent candidates for use in a wide range of applications including sound and vibration filtering

Ballistic Phonon Penetration Depth in Amorphous Silicon Dioxide.

Science.gov (United States)

Yang, Lin; Zhang, Qian; Cui, Zhiguang; Gerboth, Matthew; Zhao, Yang; Xu, Terry T; Walker, D Greg; Li, Deyu

2017-12-13

Thermal transport in amorphous silicon dioxide (a-SiO 2 ) is traditionally treated as random walks of vibrations owing to its greatly disordered structure, which results in a mean free path (MFP) approximately the same as the interatomic distance. However, this picture has been debated constantly and in view of the ubiquitous existence of thin a-SiO 2 layers in nanoelectronic devices, it is imperative to better understand this issue for precise thermal management of electronic devices. Different from the commonly used cross-plane measurement approaches, here we report on a study that explores the in-plane thermal conductivity of double silicon nanoribbons with a layer of a-SiO 2 sandwiched in-between. Through comparing the thermal conductivity of the double ribbon samples with that of corresponding single ribbons, we show that thermal phonons can ballistically penetrate through a-SiO 2 of up to 5 nm thick even at room temperature. Comprehensive examination of double ribbon samples with various oxide layer thicknesses and van der Waals bonding strengths allows for extraction of the average ballistic phonon penetration depth in a-SiO 2 . With solid experimental data demonstrating ballistic phonon transport through a-SiO 2 , this work should provide important insight into thermal management of electronic devices.

Electron-phonon coupling at metal surfaces

International Nuclear Information System (INIS)

Hellsing, B.; Eiguren, A.; Chulkov, E.V.

2002-01-01

Chemical reactions at metal surfaces are influenced by inherent dissipative processes which involve energy transfer between the conduction electrons and the nuclear motion. We shall discuss how it is possible to model this electron-phonon coupling in order to estimate its importance. A relevant quantity for this investigation is the lifetime of surface-localized electron states. A surface state, quantum well state or surface image state is located in a surface-projected bandgap and becomes relatively sharp in energy. This makes a comparison between calculations and experimental data most attractive, with a possibility of resolving the origin of the lifetime broadening of electron states. To achieve more than an order of magnitude estimate we point out the importance of taking into account the phonon spectrum, electron surface state wavefunctions and screening of the electron-ion potential. (author)

Phonon Anharmonicity of Germanium in the Temperature Range 80-880 K

Energy Technology Data Exchange (ETDEWEB)

Nelin, G; Nilsson, G

1974-06-15

Phonon frequency shifts and line widths in germanium have been studied in the temperature range 80 - 880 K by means of thermal neutron spectrometry. The results cannot be described in terms of the quasiharmonic approximation in which phonon frequencies are solely volume dependent. Theoretical calculations are found to be more satisfactory for the Raman frequency than for most other modes. A good account of the observed shifts is given by a proposal due to Barron according to which the relative frequency renormalization of a crystal is proportional to the total harmonic vibrational energy. An analysis of the gradients of measured dispersion relations in the principal symmetry directions at 80 K is presented. It is shown that accidental degeneracies may influence the dispersion

High-speed asynchronous optical sampling for high-sensitivity detection of coherent phonons

International Nuclear Information System (INIS)

Dekorsy, T; Taubert, R; Hudert, F; Schrenk, G; Bartels, A; Cerna, R; Kotaidis, V; Plech, A; Koehler, K; Schmitz, J; Wagner, J

2007-01-01

A new optical pump-probe technique is implemented for the investigation of coherent acoustic phonon dynamics in the GHz to THz frequency range which is based on two asynchronously linked femtosecond lasers. Asynchronous optical sampling (ASOPS) provides the performance of on all-optical oscilloscope and allows us to record optically induced lattice dynamics over nanosecond times with femtosecond resolution at scan rates of 10 kHz without any moving part in the set-up. Within 1 minute of data acquisition time signal-to-noise ratios better than 10 7 are achieved. We present examples of the high-sensitivity detection of coherent phonons in superlattices and of the coherent acoustic vibration of metallic nanoparticles

State resolved vibrational relaxation modeling for strongly nonequilibrium flows

Science.gov (United States)

Boyd, Iain D.; Josyula, Eswar

2011-05-01

Vibrational relaxation is an important physical process in hypersonic flows. Activation of the vibrational mode affects the fundamental thermodynamic properties and finite rate relaxation can reduce the degree of dissociation of a gas. Low fidelity models of vibrational activation employ a relaxation time to capture the process at a macroscopic level. High fidelity, state-resolved models have been developed for use in continuum gas dynamics simulations based on computational fluid dynamics (CFD). By comparison, such models are not as common for use with the direct simulation Monte Carlo (DSMC) method. In this study, a high fidelity, state-resolved vibrational relaxation model is developed for the DSMC technique. The model is based on the forced harmonic oscillator approach in which multi-quantum transitions may become dominant at high temperature. Results obtained for integrated rate coefficients from the DSMC model are consistent with the corresponding CFD model. Comparison of relaxation results obtained with the high-fidelity DSMC model shows significantly less excitation of upper vibrational levels in comparison to the standard, lower fidelity DSMC vibrational relaxation model. Application of the new DSMC model to a Mach 7 normal shock wave in carbon monoxide provides better agreement with experimental measurements than the standard DSMC relaxation model.

Surface defects characterization in a quantum wire by coherent phonons scattering

Energy Technology Data Exchange (ETDEWEB)

Rabia, M. S. [Laboratoire de Mécanique des Structures et Energétique, Faculté du Génie de la Construction, Université. Mammeri de Tizi-Ouzou, BP 17 RP Hasnaoua II, Tizi-Ouzou 15000, Algérie m2msr@yahoo.fr (Algeria)

2015-03-30

The influence of surface defects on the scattering properties of elastic waves in a quasi-planar crystallographic waveguide is studied in the harmonic approximation using the matching method formalism. The structural model is based on three infinite atomic chains forming a perfect lattice surmounted by an atomic surface defect. Following the Landauer approach, we solve directly the Newton dynamical equation with scattering boundary conditions and taking into account the next nearest neighbour’s interaction. A detailed study of the defect-induced fluctuations in the transmission spectra is presented for different adatom masses. As in the electronic case, the presence of localized defect-induced states leads to Fano-like resonances. In the language of mechanical vibrations, these are called continuum resonances. Numerical results reveal the intimate relation between transmission spectra and localized defect states and provide a basis for the understanding of conductance spectroscopy experiments in disordered mesoscopic systems. The results could be useful for the design of phononic devices.

Surface defects characterization in a quantum wire by coherent phonons scattering

International Nuclear Information System (INIS)

Rabia, M. S.

2015-01-01

The influence of surface defects on the scattering properties of elastic waves in a quasi-planar crystallographic waveguide is studied in the harmonic approximation using the matching method formalism. The structural model is based on three infinite atomic chains forming a perfect lattice surmounted by an atomic surface defect. Following the Landauer approach, we solve directly the Newton dynamical equation with scattering boundary conditions and taking into account the next nearest neighbour’s interaction. A detailed study of the defect-induced fluctuations in the transmission spectra is presented for different adatom masses. As in the electronic case, the presence of localized defect-induced states leads to Fano-like resonances. In the language of mechanical vibrations, these are called continuum resonances. Numerical results reveal the intimate relation between transmission spectra and localized defect states and provide a basis for the understanding of conductance spectroscopy experiments in disordered mesoscopic systems. The results could be useful for the design of phononic devices

Highest-order optical phonon-mediated relaxation in CdTe/ZnTe quantum dots

International Nuclear Information System (INIS)

Masumoto, Yasuaki; Nomura, Mitsuhiro; Okuno, Tsuyoshi; Terai, Yoshikazu; Kuroda, Shinji; Takita, K.

2003-01-01

The highest 19th-order longitudinal optical (LO) phonon-mediated relaxation was observed in photoluminescence excitation spectra of CdTe self-assembled quantum dots grown in ZnTe. Hot excitons photoexcited highly in the ZnTe barrier layer are relaxed into the wetting-layer state by emitting multiple LO phonons of the barrier layer successively. Below the wetting-layer state, the LO phonons involved in the relaxation are transformed to those of interfacial Zn x Cd 1-x Te surrounding CdTe quantum dots. The ZnTe-like and CdTe-like LO phonons of Zn x Cd 1-x Te and lastly acoustic phonons are emitted in the relaxation into the CdTe dots. The observed main relaxation is the fast relaxation directly into CdTe quantum dots and is not the relaxation through either the wetting-layer quantum well or the band bottom of the ZnTe barrier layer. This observation shows very efficient optical phonon-mediated relaxation of hot excitons excited highly in the ZnTe conduction band through not only the ZnTe extended state but also localized state in the CdTe quantum dots reflecting strong exciton-LO phonon interaction of telluride compounds

Phonon dispersion on Ag (100) surface: A modified analytic embedded atom method study

International Nuclear Information System (INIS)

Zhang Xiao-Jun; Chen Chang-Le

2016-01-01

Within the harmonic approximation, the analytic expression of the dynamical matrix is derived based on the modified analytic embedded atom method (MAEAM) and the dynamics theory of surface lattice. The surface phonon dispersions along three major symmetry directions, and XM-bar are calculated for the clean Ag (100) surface by using our derived formulas. We then discuss the polarization and localization of surface modes at points X-bar and M-bar by plotting the squared polarization vectors as a function of the layer index. The phonon frequencies of the surface modes calculated by MAEAM are compared with the available experimental and other theoretical data. It is found that the present results are generally in agreement with the referenced experimental or theoretical results, with a maximum deviation of 10.4%. The agreement shows that the modified analytic embedded atom method is a reasonable many-body potential model to quickly describe the surface lattice vibration. It also lays a significant foundation for studying the surface lattice vibration in other metals. (paper)

Quantum non-demolition phonon counter with a hybrid optomechnical system

Science.gov (United States)

Song, Qiao; Zhang, KeYe; Dong, Ying; Zhang, WeiPing

2018-05-01

A phonon counting scheme based on the control of polaritons in an optomechanical system is proposed. This approach permits us to measure the number of phonons in a quantum non-demolition (QND) manner for arbitrary modes not limited by the frequency matching condition as in usual photon-phonon scattering detections. The performance on phonon number transfer and quantum state transfer of the counter are analyzed and simulated numerically by taking into account all relevant sources of noise.

Phononic crystals and elastodynamics: Some relevant points

Directory of Open Access Journals (Sweden)

N. Aravantinos-Zafiris

2014-12-01

Full Text Available In the present paper we review briefly some of the first works on wave propagation in phononic crystals emphasizing the conditions for the creation of acoustic band-gaps and the role of resonances to the band-gap creation. We show that useful conclusions in the analysis of phononic band gap structures can be drawn by considering the mathematical similarities of the basic classical wave equation (Helmholtz equation with Schrödinger equation and by employing basic solid state physics concepts and conclusions regarding electronic waves. In the second part of the paper we demonstrate the potential of phononic systems to be used as elastic metamaterials. This is done by demonstrating negative refraction in phononic crystals and subwavelength waveguiding in a linear chain of elastic inclusions, and by proposing a novel structure with close to pentamode behavior. Finally the potential of phononic structures to be used in liquid sensor applications is discussed and demonstrated.

Vibrational dynamics of amorphous metals by inelastic neutron and raman scattering

International Nuclear Information System (INIS)

Lustig, N.E.

1986-01-01

Time-of-flight inelastic neutron scattering and Raman measurements were performed on amorphous (a-) metals. The neutron-weighted vibrational density of states, G(E), obtained for a-Fe 78 P 22 , a-Ni 82 B 18 and a-Ni 67 B 33 transition metal metalloid alloys (TM-m), indicated two major vibrational bands: a low frequency acoustic-like band and a high frequency optic-like band, derived from TM-TM and TM-m interactions, respectively. Similar neutron measurements were performed on the corresponding polycrystalline (c-) alloys, c-Fe 3 P and c-Ni 2 B. A comparison of the amorphous and crystalline densities of states indicates the elimination of sharp features and the addition of vibrational states at low and high frequencies upon amorphization. The experimental G(E) results for a-Fe 78 P 22 are in good agreement with the theoretically predicted spectrum. A comparison between the a-Ni 67 B 33 and the phenomenologically broadened c-Ni 2 B spectrum indicates a change in the short-range order. This finding is consistent with structural measurements on this alloy. Raman measurements were carried out using interference enhanced Raman spectroscopy (IERS) on thin film Ni-B alloys. The measured spectra provide information about the weighted phonon density of states, and is in good agreement with the neutron results

Use of neutrals backscattering for studying the vibrational properties of solid surfaces

International Nuclear Information System (INIS)

Lapujoulade, J.

1975-01-01

The neutrals (rare gases) elastic scattering may be used for studying some interesting properties of surfaces. However, an analysis of inelastic phenomena is mostly to be performed when vibrational properties of metallic surfaces are investigated. The dispersion relation of surface phonons has not yet been experimentally obtained from neutrals backscattering from solid surfaces, but the quasi-elastic scattering of helium should give this information on condition that velocity measurements are refined in view of directly obtained the distribution function rather than its moments and determining the preponderance of one-phonon transitions, or obtaining a detailed description of many-phonon exchanges [fr

Phonon and thermodynamical properties of CuSc: A DFT study

Science.gov (United States)

Jain, Ekta; Pagare, Gitanjali; Dubey, Shubha; Sanyal, S. P.

2018-05-01

A detailed systematic theoretical investigation of phonon and thermodynamical behavior of CuSc intermetallic compound has been carried out by uing first-principles density functional theory in B2-type (CsCl) crystal structure. Phonon dispersion curve and phonon density of states (PhDOS) are studied which confirm the stability of CuSc intermetallic compound in B2 phase. It is found that PhDOS at high frequencies mostly composed of Sc states. We have also presented some temperature dependent properties such as entropy, free energy, heat capacity, internal energy and thermal displacement, which are computed under PHONON code. The various features of these quantities are discussed in detail. From these results we demonstrate that the particular intermetallic have better ductility and larger thermal expansion.

Quantum ground state and single-phonon control of a mechanical resonator.

Science.gov (United States)

O'Connell, A D; Hofheinz, M; Ansmann, M; Bialczak, Radoslaw C; Lenander, M; Lucero, Erik; Neeley, M; Sank, D; Wang, H; Weides, M; Wenner, J; Martinis, John M; Cleland, A N

2010-04-01

Quantum mechanics provides a highly accurate description of a wide variety of physical systems. However, a demonstration that quantum mechanics applies equally to macroscopic mechanical systems has been a long-standing challenge, hindered by the difficulty of cooling a mechanical mode to its quantum ground state. The temperatures required are typically far below those attainable with standard cryogenic methods, so significant effort has been devoted to developing alternative cooling techniques. Once in the ground state, quantum-limited measurements must then be demonstrated. Here, using conventional cryogenic refrigeration, we show that we can cool a mechanical mode to its quantum ground state by using a microwave-frequency mechanical oscillator-a 'quantum drum'-coupled to a quantum bit, which is used to measure the quantum state of the resonator. We further show that we can controllably create single quantum excitations (phonons) in the resonator, thus taking the first steps to complete quantum control of a mechanical system.

Study of electron vibrational interaction parameters in chlorophosphate activated with Eu2+ ion

International Nuclear Information System (INIS)

Bhoyar, Priyanka D.; Dhoble, S.J.

2014-01-01

We present the results of theoretical study of photoluminescence of Eu 2+ ions activated chlorophosphate M 5.17 (PO 4 ) 3 Cl 5 :Eu 2+ with M = Ca, Sr and Ba estimating electron-vibrational interaction (EVI) parameters such as Huang–Rhys factor, effective phonon energy, Stokes shift and zero phonon line position. Validity of the calculated result was established by modeling the emission line which was found to be in good agreement with the measured photoluminescence spectrum of Eu 2+ doped chorophosphates. - Highlights: • The EVI parameters such as Huang–Rhys factor, effective phonon energy and zero phonon line position were estimated. • Eu 2+ ion emission observed in chlorophosphate. • Material analyzed in this work have intermediate Huang–Rhys factor, high Stokes shift and low effective phonon energy

Optical phonon modes of wurtzite InP

Science.gov (United States)

Gadret, E. G.; de Lima, M. M.; Madureira, J. R.; Chiaramonte, T.; Cotta, M. A.; Iikawa, F.; Cantarero, A.

2013-03-01

Optical vibration modes of InP nanowires in the wurtzite phase were investigated by Raman scattering spectroscopy. The wires were grown along the [0001] axis by the vapor-liquid-solid method. The A1(TO), E2h, and E1(TO) phonon modes of the wurtzite symmetry were identified by using light linearly polarized along different directions in backscattering configuration. Additionally, forbidden longitudinal optical modes have also been observed. Furthermore, by applying an extended 11-parameter rigid-ion model, the complete dispersion relations of InP in the wurtzite phase have been calculated, showing a good agreement with the Raman experimental data.

One and two-phonon processes of the spin-flip relaxation in quantum dots: Spin-phonon coupling mechanism

Science.gov (United States)

Wang, Zi-Wu; Li, Shu-Shen

2012-07-01

We investigate the spin-flip relaxation in quantum dots using a non-radiation transition approach based on the descriptions for the electron-phonon deformation potential and Fröhlich interaction in the Pavlov-Firsov spin-phonon Hamiltonian. We give the comparisons of the electron relaxations with and without spin-flip assisted by one and two-phonon processes. Calculations are performed for the dependence of the relaxation time on the external magnetic field, the temperature and the energy separation between the Zeeman sublevels of the ground and first-excited state. We find that the electron relaxation time of the spin-flip process is more longer by three orders of magnitudes than that of no spin-flip process.

Research on the Band Gap Characteristics of Two-Dimensional Phononic Crystals Microcavity with Local Resonant Structure

Directory of Open Access Journals (Sweden)

Mao Liu

2015-01-01

Full Text Available A new two-dimensional locally resonant phononic crystal with microcavity structure is proposed. The acoustic wave band gap characteristics of this new structure are studied using finite element method. At the same time, the corresponding displacement eigenmodes of the band edges of the lowest band gap and the transmission spectrum are calculated. The results proved that phononic crystals with microcavity structure exhibited complete band gaps in low-frequency range. The eigenfrequency of the lower edge of the first gap is lower than no microcavity structure. However, for no microcavity structure type of quadrilateral phononic crystal plate, the second band gap disappeared and the frequency range of the first band gap is relatively narrow. The main reason for appearing low-frequency band gaps is that the proposed phononic crystal introduced the local resonant microcavity structure. This study provides a good support for engineering application such as low-frequency vibration attenuation and noise control.

Effect of magnon-phonon interaction on transverse acoustic phonon excitation at finite temperature

International Nuclear Information System (INIS)

Cheng Taimin; Li Lin; Xianyu Ze

2007-01-01

A magnon-phonon interaction model is developed on the basis of two-dimensional square Heisenberg ferromagnetic system. By using Matsubara Green function theory transverse acoustic phonon excitation is studied and transverse acoustic phonon excitation dispersion curves is calculated on the main symmetric point and line in the first Brillouin zone. On line Σ it is found that there is hardening for transverse acoustic phonon on small wave vector zone (nearby point Γ), there is softening for transverse acoustic phonon on the softening zone and there is hardening for transverse acoustic phonon near point M. On line Δ it is found there is no softening and hardening for transverse acoustic phonon. On line Z it is found that there is softening for transverse acoustic phonon on small wave vector zone (nearby point X) and there is hardening for transverse acoustic phonon nearby point M. The influences of various parameters on transverse acoustic phonon excitation are also explored and it is found that the coupling of the magnon-phonon and the spin wave stiffness constant play an important role for the softening of transverse acoustic phonon

Phonon-based scalable platform for chip-scale quantum computing

Directory of Open Access Journals (Sweden)

Charles M. Reinke

2016-12-01

Full Text Available We present a scalable phonon-based quantum computer on a phononic crystal platform. Practical schemes involve selective placement of a single acceptor atom in the peak of the strain field in a high-Q phononic crystal cavity that enables coupling of the phonon modes to the energy levels of the atom. We show theoretical optimization of the cavity design and coupling waveguide, along with estimated performance figures of the coupled system. A qubit can be created by entangling a phonon at the resonance frequency of the cavity with the atom states. Qubits based on this half-sound, half-matter quasi-particle, called a phoniton, may outcompete other quantum architectures in terms of combined emission rate, coherence lifetime, and fabrication demands.

Quasiparticle phonon model description of low-energy states in 152Pr

Science.gov (United States)

Alexa, P.; Ramdhane, M.; Thiamova, G.; Simpson, G. S.; Faust, H. R.; Genevey, J.; Köster, U.; Materna, T.; Orlandi, R.; Pinston, J. A.; Scherillo, A.; Hons, Z.

2018-03-01

Delayed γ -ray and conversion-electron spectroscopy is performed on A =152 fission fragments, at the Lohengrin spectrometer of the Institut Laue-Langevin, providing a new decay scheme for 152Pr. The quasiparticle phonon model, combined with the particle-rotor model, which allows octupole correlations and Coriolis mixing to be taken into account, is applied to analyze its low-energy structure. The main configurations are found to be (π 3 /2 [422 ] ⊗ν 5 /2 [642 ] ) 1+ for the isomer and (π 3 /2 [541 ] ⊗ν 3 /2 [521 ] ) 3+ for the ground state.

Detecting phonon blockade with photons

International Nuclear Information System (INIS)

Didier, Nicolas; Pugnetti, Stefano; Fazio, Rosario; Blanter, Yaroslav M.

2011-01-01

Measuring the quantum dynamics of a mechanical system, when few phonons are involved, remains a challenge. We show that a superconducting microwave resonator linearly coupled to the mechanical mode constitutes a very powerful probe for this scope. This new coupling can be much stronger than the usual radiation pressure interaction by adjusting a gate voltage. We focus on the detection of phonon blockade, showing that it can be observed by measuring the statistics of the light in the cavity. The underlying reason is the formation of an entangled state between the two resonators. Our scheme realizes a phonotonic Josephson junction, giving rise to coherent oscillations between phonons and photons as well as a self-trapping regime for a coupling smaller than a critical value. The transition from the self-trapping to the oscillating regime is also induced dynamically by dissipation.

Magnetic ground state and magnon-phonon interaction in multiferroic h-YMnO3

DEFF Research Database (Denmark)

Holm, S. L.; Kreisel, A.; Schaeffer, T. K.

2018-01-01

Inelastic neutron scattering has been used to study the magnetoelastic excitations in the multiferroic manganite hexagonal YMnO3. An avoided crossing is found between magnon and phonon modes close to the Brillouin zone boundary in the (a,b) plane. Neutron polarization analysis reveals that this m......Inelastic neutron scattering has been used to study the magnetoelastic excitations in the multiferroic manganite hexagonal YMnO3. An avoided crossing is found between magnon and phonon modes close to the Brillouin zone boundary in the (a,b) plane. Neutron polarization analysis reveals...... that this mode has mixed magnon-phonon character. An external magnetic field along the c axis is observed to cause a linear field-induced splitting of one of the spin-wave branches. A theoretical description is performed, using a Heisenberg model of localized spins, acoustic phonon modes, and a magnetoelastic...... coupling via the single-ion magnetostriction. The model quantitatively reproduces the dispersion and intensities of all modes in the full Brillouin zone, describes the observed magnon-phonon hybridized modes, and quantifies the magnetoelastic coupling. The combined information, including the field...

Manifestation of surface phonons in far infrared reflectivity of diamond-type semiconductors

Energy Technology Data Exchange (ETDEWEB)

Perez-Sanchez, F.L.; Perez-Rodriguez, F. [Instituto de Fisica, Universidad Autonoma de Puebla, Apdo. Post. J-48, Puebla, Pue. 72570 (Mexico)

2004-11-01

The coupling of surface phonons with light at (001) surfaces of diamond-structure crystals and its manifestation in far-infrared anisotropy spectra are theoretically studied. We apply the adiabatic bond charge model to describe short-range mechanical interactions together with long-range Coulomb forces and radiation fields, and we solve the corresponding system of coupled equations for the electromagnetic field and the lattice vibrations. We calculate far-infrared normal reflectance spectra of (001) surfaces of semi-infinite diamond-type crystals. In particular, we analyse reflectance spectra for the Si(001) (2 x 1) surface, which exhibit a resonance structure associated with the excitation of surface phonon modes. (copyright 2004 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Polar optical phonons in a semiconductor quantum-well: The complete matching problem

International Nuclear Information System (INIS)

Nieto, J.M.; Comas, F.

2007-01-01

Confined polar optical phonons in a semiconductor quantum-well (QW) are studied by applying a phenomenological theory which was proposed a few years ago and is based on a continuum approach. This theory considers the coupled character of the electromechanical vibrations and takes due account of both the electric and mechanical boundary conditions. In the present work, we have applied the so-called complete matching problem in contrast with all previous published works on the subject, where more restrictive approximate boundary conditions has been applied. We also consider the effects of strains at the interfaces on the phonon spectra. Comparisons with previous works are made, while we focused on the study of a ZnTe/CdTe/ZnTe QW

Population decay time and distribution of exciton states analyzed by rate equations based on theoretical phononic and electron-collisional rate coefficients

Science.gov (United States)

Oki, Kensuke; Ma, Bei; Ishitani, Yoshihiro

2017-11-01

Population distributions and transition fluxes of the A exciton in bulk GaN are theoretically analyzed using rate equations of states of the principal quantum number n up to 5 and the continuum. These rate equations consist of the terms of radiative, electron-collisional, and phononic processes. The dependence of the rate coefficients on temperature is revealed on the basis of the collisional-radiative model of hydrogen plasma for the electron-collisional processes and theoretical formulation using Fermi's "golden rule" for the phononic processes. The respective effects of the variations in electron, exciton, and lattice temperatures are exhibited. This analysis is a base of the discussion on nonthermal equilibrium states of carrier-exciton-phonon dynamics. It is found that the exciton dissociation is enhanced even below 150 K mainly by the increase in the lattice temperature. When the thermal-equilibrium temperature increases, the population fluxes between the states of n >1 and the continuum become more dominant. Below 20 K, the severe deviation from the Saha-Boltzmann distribution occurs owing to the interband excitation flux being higher than the excitation flux from the 1 S state. The population decay time of the 1 S state at 300 K is more than ten times longer than the recombination lifetime of excitons with kinetic energy but without the upper levels (n >1 and the continuum). This phenomenon is caused by a shift of population distribution to the upper levels. This phonon-exciton-radiation model gives insights into the limitations of conventional analyses such as the ABC model, the Arrhenius plot, the two-level model (n =1 and the continuum), and the neglect of the upper levels.

Tunable Acoustic Valley-Hall Edge States in Reconfigurable Phononic Elastic Waveguides

Science.gov (United States)

Liu, Ting-Wei; Semperlotti, Fabio

2018-01-01

We investigate the occurrence of acoustic topological edge states in a 2D phononic elastic waveguide due to a phenomenon that is the acoustic analog of the quantum valley Hall effect. We show that a topological transition takes place between two lattices having broken space-inversion symmetry due to the application of a tunable strain field. This condition leads to the formation of gapless edge states at the domain walls, as further illustrated by the analysis of the bulk-edge correspondence and of the associated topological invariants. Interestingly, topological edge states can also be triggered at the boundary of a single domain, when boundary conditions are properly selected. We also show that the static modulation of the strain field allows us to tune the response of the material between the different supported edge states. Although time-reversal symmetry is still intact in this material system, the edge states are topologically protected when intervalley mixing is either weak or negligible. This characteristic enables selective valley injection, which is achieved via synchronized source strategy.

Toward stimulated interaction of surface phonon polaritons

Energy Technology Data Exchange (ETDEWEB)

Kong, B. D.; Trew, R. J.; Kim, K. W., E-mail: kwk@ncsu.edu [Department of Electrical and Computer Engineering, North Carolina State University, Raleigh, North Carolina 27695-7911 (United States)

2013-12-21

Thermal emission spectra mediated by surface phonon polariton are examined by using a theoretical model that accounts for generation processes. Specifically, the acoustic phonon fusion mechanism is introduced to remedy theoretical deficiencies of the near thermal equilibrium treatments. The model clarifies the thermal excitation mechanism of surface phonon polaritons and the energy transfer path under non-zero energy flow. When applied to GaAs and SiC semi-infinite surfaces, the nonequilibrium model predicts that the temperature dependence of the quasi-monochromatic peak can exhibit distinctly different characteristics of either sharp increase or slow saturation depending on the materials, which is in direct contrast with the estimate made by the near-equilibrium model. The proposed theoretical tool can accurately analyze the nonequilibrium steady states, potentially paving a pathway to demonstrate stimulated interaction/emission of thermally excited surface phonon polaritons.

Pseudogap in the Eliashberg approach based on electron-phonon and electron-electron-phonon interaction

Energy Technology Data Exchange (ETDEWEB)

Szczesniak, R. [Institute of Physics, Czestochowa University of Technology (Poland); Institute of Physics, Jan Dlugosz University in Czestochowa (Poland); Durajski, A.P.; Duda, A.M. [Institute of Physics, Czestochowa University of Technology (Poland)

2017-04-15

The properties of the superconducting and the anomalous normal state were described by using the Eliashberg method. The pairing mechanism was reproduced with the help of the Hamiltonian, which models the electron-phonon and the electron-electron-phonon interaction (EEPh). The set of the Eliashberg equations, which determines the order parameter function (φ), the wave function renormalization factor (Z), and the energy shift function (χ), was derived. It was proven that for the sufficiently large values of the EEPh potential, the doping dependence of the order parameter (φ/Z) has the analogous course to that observed experimentally in cuprates. The energy gap in the electron density of states is induced by Z and χ - the contribution from φ is negligible. The electron density of states possesses the characteristic asymmetric form and the pseudogap is observed above the critical temperature. (copyright 2017 by WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Study of electron-vibrational interaction in 5d states of Ce{sup 3+} ions in the chloroapatite system

Energy Technology Data Exchange (ETDEWEB)

Bhoyar, Priyanka D. [Department of Physics, R.T.M. Nagpur University, Nagpur, 440033 (India); Brik, M.G., E-mail: brik@ut.ee [College of Sciences, Chongqing University of Posts and Telecommunications, Chongqing, 400065 (China); Institute of Physics, University of Tartu, Ravila 14C, Tartu, 50411 (Estonia); Institute of Physics, Polish Academy of Sciences, al. Lotnikow 32/46, 02-668, Warsaw (Poland); Institute of Physics, Jan Dlugosz University, Armii Krajowej 13/15, PL-42200, Czestochowa (Poland); Dhoble, S.J., E-mail: sjdhoble@rediffmail.com [Department of Physics, R.T.M. Nagpur University, Nagpur, 440033 (India)

2016-08-15

Electron-vibrational interaction (EVI) in interconfigurational 5d-4f transition of Ce{sup 3+}-doped alkaline-earth chlorophosphates, also known as apatites, is studied for the first time in this work. Using the configurational coordinate model, the main EVI parameters such as Huang-Rhys factor, effective phonon energy and the zero-phonon line (ZPL) position are determined for all samples studied. Photoluminescence characteristics of these compounds are utilized to estimate EVI parameters. As a reliable test validating the obtained results, the emission band shape of was modeled to yield good agreement with experimental emission spectra. The values of EVI parameters were systematically compared for all studied materials as well as with similar systems with halide ions. - Highlights: • EVI in Ce{sup 3+}-doped alkaline-earth halochlorophosphates is studied for the first time in this work. • The EVI parameters are estimated using the configurational coordinate model. • Estimated EVI parameters are validated by modeling emission spectra. • Parameters are systematically compared.

Anomalous phonon stiffening associated with the (1 1 1) antiphase boundary in L12 Ni3Al

International Nuclear Information System (INIS)

Manga, Venkateswara Rao; Shang, Shun-Li; Wang, William Yi; Wang, Yi; Liang, Jiang; Crespi, Vincent H.; Liu, Zi-Kui

2015-01-01

Antiphase boundaries (APBs) play a crucial role in the anomalous yield behavior exhibited by Ni 3 Al with L1 2 structure. We investigated the changes in the vibrational properties associated with the formation of (0 0 1) and (1 1 1) APBs in Ni 3 Al by employing first-principles calculations. The phonon density of states of Ni 3 Al with and without (0 0 1) and (1 1 1) APBs revealed an interesting result: the (0 0 1) APB softens the phonons in its vicinity, while the (1 1 1) stiffens them. We also calculated the finite-temperature (0 0 1) and (1 1 1) APB Gibbs free energies from the first-principles quasi-harmonic approximation. The vibrational entropy of formation is positive (e.g. 0.053 mJ K −1 m −2 at 300 K) for the (0 0 1) APB and is negative (e.g. −0.0157 mJ K −1 m −2 at 300 K) for the (1 1 1) APB over the entire temperature range. We also find a significant change in the thermal electronic free energy due to the creation of the (0 0 1) or (1 1 1) APB. The anisotropy ratio of the APB energies, i.e. the ratio of the (1 1 1) APB free energy to the (0 0 1) APB free energy, changes from 2.9 at 300 K to 15.9 at 1000 K

Controllable photon and phonon localization in optomechanical Lieb lattices.

Science.gov (United States)

Wan, Liang-Liang; Lü, Xin-You; Gao, Jin-Hua; Wu, Ying

2017-07-24

The Lieb lattice featuring flat band is not only important in strongly-correlated many-body physics, but also can be utilized to inspire new quantum devices. Here we propose an optomechanical Lieb lattice, where the flat-band physics of photon-phonon polaritons is demonstrated. The tunability of the band structure of the optomechanical arrays allows one to obtain an approximate photon or phonon flat band as well as the transition between them. This ultimately leads to the result that the controllable photon or phonon localization could be realized by the path interference effects. This study offers an alternative approach to explore the exotic photon and phonon many-body effects, which has potential applications in the future hybrid-photon-phonon quantum network and engineering new type solid-state quantum devices.

Vibrations versus collisions and the iterative structure of two-body dynamics

International Nuclear Information System (INIS)

Pfitzner, A.; Cassing, W.; Peter, A.

1993-11-01

The two-body correlation function is decomposed into two channel correlation functions for the pp- and the ph-channel. The associated coupled equations describe the evolution in the respective channels as well as their mixing. Integration of the ph-channel in terms of vibrational RPA-states yields a closed equation for the correlations in the pp-channel comprising phonon-particle coupling and a memory term. In the stationary limit the equation for a generalised effective interaction is derived which iterates both the G-matrix (ladders) and the polarisation matrix (loops), thus accounting nonperturbatively for the mixing of ladders and loops. (orig.)

Vibrational properties of complex solids

International Nuclear Information System (INIS)

Fagas, G.

1999-11-01

Following a brief outline of the statistical analysis of spectra with respect to random matrix theory predictions and of numerical methods for calculating the elastic scattering matrix, statistical studies of vibrational spectra in disordered and complex solids, as well as studies of phonon transport across imperfect structures, are presented. The analysis of spectral statistics of lattice modes in a disordered crystal, confirmed GOE Wigner-Dyson statistical correlations of the eigenmode frequencies of a block of a disordered solid. Spectral correlations in the optic phonon spectrum of a solid with a polyatomic unit cell are also analysed using the Wigner-Dyson statistical approach. Despite the fact that all force constants are real, it is demonstrated that the statistics are predominantly of the GUE type depending on the location within the Brillouin zone of a crystal and the unit cell symmetry. Analytic and numerical results for the crossover from GOE to GUE statistics are presented. A method originally developed to probe electron transport on a mesoscopic scale is used to study generic properties of elastic phonon transport at a disordered interface. The results show that phonon transmittance is a strong function of frequency and the disorder correlation length. At low frequencies the transmittance at a given frequency increases as the correlation length decreases. This is also reflected by different power-laws for phonon conductance across correlated and uncorrelated disordered interfaces which are in approximate agreement with perturbation theory of an elastic continuum. Finally we present an analysis of acoustic-phonon propagation across long, free-standing, insulating wires with rough surfaces. We find that owing to a crossover from ballistic propagation of the lowest-frequency phonon mode at ω 1 πc/W to a diffusive (or even localized) behavior upon the increase of phonon frequency, followed by reentrance into the quasiballistic regime, the heat

Thermal transport in phononic crystals: The role of zone folding effect

Science.gov (United States)

Dechaumphai, Edward; Chen, Renkun

2012-04-01

Recent experiments [Yu et al., Nature Nanotech 5, 718 (2010); Tang et al., Nano Lett. 10, 4279 (2010); Hopkins etal., Nano Lett. 11, 107(2011)] on silicon based nanoscale phononic crystals demonstrated substantially reduced thermal conductivity compared to bulk Si, which cannot be explained by incoherent phonon boundary scattering within the Boltzmann Transport Equation (BTE). In this paper, partial coherent treatment of phonons, where phonons are regarded as either wave or particles depending on their frequencies, was considered. Phonons with mean free path smaller than the characteristic size of phononic crystals are treated as particles and the transport in this regime is modeled by BTE with phonon boundary scattering taken into account. On the other hand, phonons with mean free path longer than the characteristic size are treated as waves. In this regime, phonon dispersion relations are computed using the Finite Difference Time Domain (FDTD) method and are found to be modified due to the zone folding effect. The new phonon spectra are then used to compute phonon group velocity and density of states for thermal conductivity modeling. Our partial coherent model agrees well with the recent experimental results on in-plane thermal conductivity of phononic crystals. Our study highlights the importance of zone folding effect on thermal transport in phononic crystals.

Phonon optimized interatomic potential for aluminum

Directory of Open Access Journals (Sweden)

Murali Gopal Muraleedharan

2017-12-01

Full Text Available We address the problem of generating a phonon optimized interatomic potential (POP for aluminum. The POP methodology, which has already been shown to work for semiconductors such as silicon and germanium, uses an evolutionary strategy based on a genetic algorithm (GA to optimize the free parameters in an empirical interatomic potential (EIP. For aluminum, we used the Vashishta functional form. The training data set was generated ab initio, consisting of forces, energy vs. volume, stresses, and harmonic and cubic force constants obtained from density functional theory (DFT calculations. Existing potentials for aluminum, such as the embedded atom method (EAM and charge-optimized many-body (COMB3 potential, show larger errors when the EIP forces are compared with those predicted by DFT, and thus they are not particularly well suited for reproducing phonon properties. Using a comprehensive Vashishta functional form, which involves short and long-ranged interactions, as well as three-body terms, we were able to better capture interactions that reproduce phonon properties accurately. Furthermore, the Vashishta potential is flexible enough to be extended to Al2O3 and the interface between Al-Al2O3, which is technologically important for combustion of solid Al nano powders. The POP developed here is tested for accuracy by comparing phonon thermal conductivity accumulation plots, density of states, and dispersion relations with DFT results. It is shown to perform well in molecular dynamics (MD simulations as well, where the phonon thermal conductivity is calculated via the Green-Kubo relation. The results are within 10% of the values obtained by solving the Boltzmann transport equation (BTE, employing Fermi’s Golden Rule to predict the phonon-phonon relaxation times.

Phonon optimized interatomic potential for aluminum

Science.gov (United States)

Muraleedharan, Murali Gopal; Rohskopf, Andrew; Yang, Vigor; Henry, Asegun

2017-12-01

We address the problem of generating a phonon optimized interatomic potential (POP) for aluminum. The POP methodology, which has already been shown to work for semiconductors such as silicon and germanium, uses an evolutionary strategy based on a genetic algorithm (GA) to optimize the free parameters in an empirical interatomic potential (EIP). For aluminum, we used the Vashishta functional form. The training data set was generated ab initio, consisting of forces, energy vs. volume, stresses, and harmonic and cubic force constants obtained from density functional theory (DFT) calculations. Existing potentials for aluminum, such as the embedded atom method (EAM) and charge-optimized many-body (COMB3) potential, show larger errors when the EIP forces are compared with those predicted by DFT, and thus they are not particularly well suited for reproducing phonon properties. Using a comprehensive Vashishta functional form, which involves short and long-ranged interactions, as well as three-body terms, we were able to better capture interactions that reproduce phonon properties accurately. Furthermore, the Vashishta potential is flexible enough to be extended to Al2O3 and the interface between Al-Al2O3, which is technologically important for combustion of solid Al nano powders. The POP developed here is tested for accuracy by comparing phonon thermal conductivity accumulation plots, density of states, and dispersion relations with DFT results. It is shown to perform well in molecular dynamics (MD) simulations as well, where the phonon thermal conductivity is calculated via the Green-Kubo relation. The results are within 10% of the values obtained by solving the Boltzmann transport equation (BTE), employing Fermi's Golden Rule to predict the phonon-phonon relaxation times.

Phonon and thermal properties of achiral single wall carbon ...

Indian Academy of Sciences (India)

A detailed theoretical study of the phonon and thermal properties of achiral single wall carbon nanotubes has been carried out using force constant model considering up to third nearest-neighbor interactions. We have calculated the phonon dispersions, density of states, radial breathing modes (RBM) and the specific heats ...

On inclusion of the Pauli principle in the quasi particle-phonon nuclear model

International Nuclear Information System (INIS)

Soloviev, V.G.

1979-01-01

The Pauli principle in odd-even, even-odd and even-even nuclei in the quasi particle-phonon nuclear model is considered. It is shown that the Pauli principle can excactly be taken into account. The exact and approximate secular equations are obtained for the wave function containing the one-quasi particle and quasi particle plus phonon components. The effect of the Pauli principle is discussed, when the wave function contains the one- and two-phonon components. In both the cases the poles are shifted in the secular equations and the quasi particle-phonon interaction terms are added. The number of quasi particles in the ground states is estimated. It is stated that in the majority of deformed nuclei the correlations in the ground states are small. It is shown that within the quasi particle-phonon nuclear model the calculations can be performed with the exact commutation relations

Non-linear phonon Peltier effect in dissipative quantum dot systems.

Science.gov (United States)

De, Bitan; Muralidharan, Bhaskaran

2018-03-26

Solid state thermoelectric cooling is based on the electronic Peltier effect, which cools via an electronic heat current in the absence of an applied temperature gradient. In this work, we demonstrate that equivalently, a phonon Peltier effect may arise in the non-linear thermoelectric transport regime of a dissipative quantum dot thermoelectric setup described via Anderson-Holstein model. This effect leads to an electron induced phonon heat current in the absence of a thermal gradient. Utilizing the modification of quasi-equilibrium phonon distribution via charge induced phonon accumulation, we show that in a special case the polarity of the phonon heat current can be reversed so that setup can dump heat into the hotter reservoirs. In further exploring possibilities that can arise from this effect, we propose a novel charge-induced phonon switching mechanism that may be incited via electrostatic gating.

Hypersonic phononic crystals.

Science.gov (United States)

Gorishnyy, T; Ullal, C K; Maldovan, M; Fytas, G; Thomas, E L

2005-03-25

In this Letter we propose the use of hypersonic phononic crystals to control the emission and propagation of high frequency phonons. We report the fabrication of high quality, single crystalline hypersonic crystals using interference lithography and show that direct measurement of their phononic band structure is possible with Brillouin light scattering. Numerical calculations are employed to explain the nature of the observed propagation modes. This work lays the foundation for experimental studies of hypersonic crystals and, more generally, phonon-dependent processes in nanostructures.

Resolving fine spectral features in lattice vibrational modes using femtosecond coherent spectroscopy

Directory of Open Access Journals (Sweden)

A. Card

2016-02-01

Full Text Available We show resolution of fine spectral features within several Raman active vibrational modes in potassium titanyl phosphate (KTP crystal. Measurements are performed using a femtosecond time-domain coherent anti-Stokes Raman scattering spectroscopy technique that is capable of delivering equivalent spectral resolution of 0.1 cm−1. The Raman spectra retrieved from our measurements show several spectral components corresponding to vibrations of different symmetry with distinctly different damping rates. In particular, linewidths for unassigned optical phonon mode triplet centered at around 820 cm−1 are found to be 7.5 ± 0.2 cm−1, 9.1 ± 0.3 cm−1, and 11.2 ± 0.3 cm−1. Results of our experiments will ultimately help to design an all-solid-state source for sub-optical-wavelength waveform generation that is based on stimulated Raman scattering.

Infrared absorption spectra of various doping states in cuprate superconductors

International Nuclear Information System (INIS)

Yonemitsu, K.; Bishop, A.R.; Lorenzana, J.

1992-01-01

Doping states in a two-dimensional three-band extended Peierls-Hubbard model was investigated within inhomogeneous Hartree-Fock and random phase approximation. They are very sensitive to small changes of interaction parameters and their distinct vibrational and optical absorption spectra can be used to identify different doping states. For electronic parameters relevant to cuprate superconductors, as intersite electron-phonon interaction strength increases, the doping state changes from a Zhang-Rice state to a covalent molecular singlet state accompanied by local quenching of the Cu magnetic moment and large local lattice distortion in an otherwise undistorted antiferromagnetic background. In a region where both intersite electron-phonon interaction and on-site electron-electron repulsion are large, we obtain new stable global phases including a bond-order-wave state and a mixed state of spin-Peierls bonds and antiferromagnetic Cu spins, as well as many metastable states. Doping in the bond-order-wave region induces separation of spin and charge. 9 refs

First-principles elastic constants and phonons of delta-Pu

DEFF Research Database (Denmark)

Söderlind, P.; Landa, A.; Sadigh, B.

2004-01-01

Elastic constants and zone-boundary phonons of delta-plutonium have been calculated within the density-functional theory. The paramagnetic state of delta-Pu is modeled by disordered magnetism utilizing either the disordered local moment or the special quasirandom structure techniques. The anomalo......Elastic constants and zone-boundary phonons of delta-plutonium have been calculated within the density-functional theory. The paramagnetic state of delta-Pu is modeled by disordered magnetism utilizing either the disordered local moment or the special quasirandom structure techniques....... The anomalously soft C-' as well as a large anisotropy ratio (C-44/C-') of delta-Pu is reproduced by this theoretical model. Also the recently measured phonons for delta-Pu compare relatively well with their theoretical counterpart at the zone boundaries....

Controlling competing electronic orders via non-equilibrium acoustic phonons

Science.gov (United States)

Schuett, Michael; Orth, Peter; Levchenko, Alex; Fernandes, Rafael

The interplay between multiple electronic orders is a hallmark of strongly correlated systems displaying unconventional superconductivity. While doping, pressure, and magnetic field are the standard knobs employed to assess these different phases, ultrafast pump-and-probe techniques opened a new window to probe these systems. Recent examples include the ultrafast excitation of coherent optical phonons coupling to electronic states in cuprates and iron pnictides. In this work, we demonstrate theoretically that non-equilibrium acoustic phonons provide a promising framework to manipulate competing electronic phases and favor unconventional superconductivity over other states. In particular, we show that electrons coupled to out-of-equilibrium anisotropic acoustic phonons enter a steady state in which the effective electronic temperature varies around the Fermi surface. Such a momentum-dependent temperature can then be used to selectively heat electronic states that contribute primarily to density-wave instabilities, reducing their competition with superconductivity. We illustrate this phenomenon by computing the microscopic steady-state phase diagram of the iron pnictides, showing that superconductivity is enhanced with respect to the competing antiferromagnetic phase.

Particle-phonon coupling in the odd-A Rb isotopes

International Nuclear Information System (INIS)

Krishan, K.; Basu, S.K.; Sen, S.

1976-01-01

The level properties of 83 Rb and 85 Rb have been calculated in a quasiparticle-phonon coupling model which couples the proton quasiparticle motion in the 1fsub(5/2), 2psub(1/2), 2psub(3/2) and 1gsub(9/2) orbitals to the vibrations of the neighbouring even core. The calculated level spectra, spectroscopic factors and B(E2) values for several levels are found to be in good agreement with available experimental data. Branching ratios for transitions originating from several levels are also reproduced. (author)

Pseudospins and Topological Effects of Phonons in a Kekulé Lattice

Science.gov (United States)

Liu, Yizhou; Lian, Chao-Sheng; Li, Yang; Xu, Yong; Duan, Wenhui

2017-12-01

The search for exotic topological effects of phonons has attracted enormous interest for both fundamental science and practical applications. By studying phonons in a Kekulé lattice, we find a new type of pseudospin characterized by quantized Berry phases and pseudoangular momenta, which introduces various novel topological effects, including topologically protected pseudospin-polarized interface states and a phonon pseudospin Hall effect. We further demonstrate a pseudospin-contrasting optical selection rule and a pseudospin Zeeman effect, giving a complete generation-manipulation-detection paradigm of the phonon pseudospin. The pseudospin and topology-related physics revealed for phonons is general and applicable for electrons, photons, and other particles.

Proposal for an optomechanical traveling wave phonon-photon translator

Energy Technology Data Exchange (ETDEWEB)

Safavi-Naeini, Amir H; Painter, Oskar, E-mail: safavi@caltech.edu, E-mail: opainter@caltech.edu [Thomas J Watson, Sr., Laboratory of Applied Physics, California Institute of Technology, Pasadena, CA 91125 (United States)

2011-01-15

In this paper, we describe a general optomechanical system for converting photons to phonons in an efficient and reversible manner. We analyze classically and quantum mechanically the conversion process and proceed to a more concrete description of a phonon-photon translator (PPT) formed from coupled photonic and phononic crystal planar circuits. The application of the PPT to RF-microwave photonics and circuit QED, including proposals utilizing this system for optical wavelength conversion, long-lived quantum memory and state transfer from optical to superconducting qubits, is considered.

Non-equilibrium phonon generation and detection in microstructure devices

KAUST Repository

Hertzberg, J. B.

2011-01-01

We demonstrate a method to excite locally a controllable, non-thermal distribution of acoustic phonon modes ranging from 0 to ∼200 GHz in a silicon microstructure, by decay of excited quasiparticle states in an attached superconducting tunnel junction (STJ). The phonons transiting the structure ballistically are detected by a second STJ, allowing comparison of direct with indirect transport pathways. This method may be applied to study how different phonon modes contribute to the thermal conductivity of nanostructures. © 2011 American Institute of Physics.

Nonrotational states of 165Er nuclei

International Nuclear Information System (INIS)

Bonch-Osmolovskaya, N.A.; Morozov, V.A.; Nesterenko, V.O.

1985-01-01

165 Er nucleus excited states have been analysed on the basis of available experimental data and calculations within the framework of a quasiparticle-phonon model. β-vibrational components of states are included into the calculations, the Pauli principle was taken account of consecutively. Taking account of the Pauli principle permitting to perform a more correct description of vibrational components resulted in a marked change of characteristics of a number of states especially in the case of 9/2 + [624]. The whole set of levels with 1/2 - [521], 297.4 keV; 1/2 - [530], 589.9 keV; 1/2 - [510], 920.7 keV; 3/2, 1/2 - [541], 1039 keV, is described satisfactorily. The calculation performed gives as a whole a better agreement with experiment as compared with earlier calculations of other authors

Tunable topological phases in photonic and phononic crystals

KAUST Repository

Chen, Zeguo

2018-02-18

Topological photonics/phononics, inspired by the discovery of topological insulators, is a prosperous field of research, in which remarkable one-way propagation edge states are robust against impurities or defect without backscattering. This dissertation discusses the implementation of multiple topological phases in specific designed photonic and phononic crystals. First, it reports a tunable quantum Hall phase in acoustic ring-waveguide system. A new three-band model focused on the topological transitions at the Γ point is studied, which gives the functionality that nontrivial topology can be tuned by changing the strengths of the couplings and/or the broken time-reversal symmetry. The resulted tunable topological edge states are also numerically verified. Second, based on our previous studied acoustic ring-waveguide system, we introduce anisotropy by tuning the couplings along different directions. We find that the bandgap topology is related to the frequency and directions. We report our proposal on a frequency filter designed from such an anisotropic topological phononic crystal. Third, motivated by the recent progress on quantum spin Hall phases, we propose a design of time-reversal symmetry broken quantum spin Hall insulators in photonics, in which a new quantum anomalous Hall phase emerges. It supports a chiral edge state with certain spin orientations, which is robust against the magnetic impurities. We also report the realization of the quantum anomalous Hall phase in phononics.

Rotational-vibrational states of nonaxial deformable even-even nuclei

International Nuclear Information System (INIS)

Porodzinskii, Yu.V.; Sukhovitskii, E.Sh.

1991-01-01

The rotational-vibrational excitations of nonaxial even-even nuclei are studied on the basis of a Hamiltonian operator with five dynamical variables. Explicit forms of the wave functions and energies of the rotational-vibrational excitations of such nuclei are obtained. The experimental energies of excited positive-parity states of the 238 U nucleus and those calculated in terms of the model discussed in the article are compared

Phonon engineering for nanostructures.

Energy Technology Data Exchange (ETDEWEB)

Aubry, Sylvie (Stanford University); Friedmann, Thomas Aquinas; Sullivan, John Patrick; Peebles, Diane Elaine; Hurley, David H. (Idaho National Laboratory); Shinde, Subhash L.; Piekos, Edward Stanley; Emerson, John Allen

2010-01-01

Understanding the physics of phonon transport at small length scales is increasingly important for basic research in nanoelectronics, optoelectronics, nanomechanics, and thermoelectrics. We conducted several studies to develop an understanding of phonon behavior in very small structures. This report describes the modeling, experimental, and fabrication activities used to explore phonon transport across and along material interfaces and through nanopatterned structures. Toward the understanding of phonon transport across interfaces, we computed the Kapitza conductance for {Sigma}29(001) and {Sigma}3(111) interfaces in silicon, fabricated the interfaces in single-crystal silicon substrates, and used picosecond laser pulses to image the thermal waves crossing the interfaces. Toward the understanding of phonon transport along interfaces, we designed and fabricated a unique differential test structure that can measure the proportion of specular to diffuse thermal phonon scattering from silicon surfaces. Phonon-scale simulation of the test ligaments, as well as continuum scale modeling of the complete experiment, confirmed its sensitivity to surface scattering. To further our understanding of phonon transport through nanostructures, we fabricated microscale-patterned structures in diamond thin films.

The localized vibrations of H-H-, D-D- and H-D- pairs in KCl, KBr, KI, RbCl and NaCl

International Nuclear Information System (INIS)

Robert, R.

1974-01-01

The localized vibrational modes of H - H - , D - D - and H - D - pairs in KCl, KBr, KI, RbCl and NaCl were studied for different pair configurations. The measured frequencies of the infrared active modes were found to be in good agreement with a model of two coupled harmonic oscillators. The line width for different modes in the salts studied is discussed. The temperature dependence for the transversal modes T 1 and T 2 of the line width for the H - H - pairs in KCl indicates that the broadening of these lines is due to the 'decomposition mechanism', that generates two phonons. The generated phonons due to the decay of the localized in phase mode are: -one acustic phonon of the lattice, -one localized phonon that corresponds to the out of phase vibration of the H - H - pair. The general properties, as the Ivey law and several particulars of the properties in the alkali-halides studied are presented [pt

PREFACE: Vibrations at surfaces Vibrations at surfaces

Science.gov (United States)

Rahman, Talat S.

2011-12-01

This special issue is dedicated to the phenomenon of vibrations at surfaces—a topic that was indispensible a couple of decades ago, since it was one of the few phenomena capable of revealing the nature of binding at solid surfaces. For clean surfaces, the frequencies of modes with characteristic displacement patterns revealed how surface geometry, as well as the nature of binding between atoms in the surface layers, could be different from that in the bulk solid. Dispersion of the surface phonons provided further measures of interatomic interactions. For chemisorbed molecules on surfaces, frequencies and dispersion of the vibrational modes were also critical for determining adsorption sites. In other words, vibrations at surfaces served as a reliable means of extracting information about surface structure, chemisorption and overlayer formation. Experimental techniques, such as electron energy loss spectroscopy and helium-atom-surface scattering, coupled with infra-red spectroscopy, were continually refined and their resolutions enhanced to capture subtleties in the dynamics of atoms and molecules at surfaces. Theoretical methods, whether based on empirical and semi-empirical interatomic potential or on ab initio electronic structure calculations, helped decipher experimental observations and provide deeper insights into the nature of the bond between atoms and molecules in regions of reduced symmetry, as encountered on solid surfaces. Vibrations at surfaces were thus an integral part of the set of phenomena that characterized surface science. Dedicated workshops and conferences were held to explore the variety of interesting and puzzling features revealed in experimental and theoretical investigations of surface vibrational modes and their dispersion. One such conference, Vibrations at Surfaces, first organized by Harald Ibach in Juelich in 1980, continues to this day. The 13th International Conference on Vibrations at Surfaces was held at the University of

Spin waves in terbium. II. Magnon-phonon interaction

International Nuclear Information System (INIS)

Jensen, J.; Houmann, J.G.

1975-01-01

The selection rules for the linear couplings between magnons and phonons propagating in the c direction of a simple basal-plane hcp ferromagnet are determined by general symmetry considerations. The acoustic-optical magnon-phonon interactions observed in the heavy-rare-earth metals have been explained by Liu as originating from the mixing of the spin states of the conduction electrons due to the spin-orbit coupling. We find that this coupling mechanism introduces interactions which violate the selection rules for a simple ferromagnet. The interactions between the magnons and phonons propagating in the c direction of Tb have been studied experimentally by means of inelastic neutron scatttering. The magnons are coupled to both the acoustic- and optical-transverse phonons. By studying the behavior of the acoustic-optical coupling, we conclude that it is a spin-mixed-induced coupling as proposed by Liu. The coupled magnon--transverse-phonon system for the c direction of Tb is analyzed in detail, and the strengths of the couplings are deduced as a function of wave vector by combining the experimental studies with the theory

Rigorous bounds on the free energy of electron-phonon models

NARCIS (Netherlands)

Raedt, Hans De; Michielsen, Kristel

1997-01-01

We present a collection of rigorous upper and lower bounds to the free energy of electron-phonon models with linear electron-phonon interaction. These bounds are used to compare different variational approaches. It is shown rigorously that the ground states corresponding to the sharpest bounds do

Quantum interference between two phonon paths and reduced heat transport in diamond lattice with atomic-scale planar defects

Science.gov (United States)

Kosevich, Yu. A.; Strelnikov, I. A.

2018-02-01

Destructive quantum interference between the waves propagating through laterally inhomogeneous layer can result in their total reflection, which in turn reduces energy flux carried by these waves. We consider the systems of Ge atoms, which fully or partly, in the chequer-wise order, fill a crystal plane in diamond-like Si lattice. We have revealed that a single type of the atomic defects, which are placed in identical positions in different unit cells in the defect crystal plane, can result in double transmission antiresonances of phonon wave packets. This new effect we relate with the complex structure of the diamond-like unit cell, which comprises two atoms in different positions and results in two distinct vibration resonances in two interfering phonon paths. We also consider the propagation of phonon wave packets in the superlatticies made of the defect planes, half-filled in the chequer-wise order with Ge atoms. We have revealed relatively broad phonon stop bands with center frequencies at the transmission antiresonances. We elaborate the equivalent analytical quasi-1D lattice model of the two phonon paths through the complex planar defect in the diamond-like lattice and describe the reduction of phonon heat transfer through the atomic-scale planar defects.

High-pressure Raman study of vibrational spectra in crystalline acetanilide

Science.gov (United States)

Sakai, Masamichi; Kuroda, Noritaka; Nishina, Yuichiro

1993-01-01

We have studied the effect of pressure on the low-frequency lattice modes and the amide-I (N-CO stretching) vibrational modes in crystalline acetanilide (C6H5NHCOCH3) in the temperature range 80-300 K by means of Raman spectroscopy. The Raman intensity of the 1650-cm-1 band, which appears upon cooling, is enhanced by applying pressure. The energy difference between the amide-I phonon (Ag mode) and the 1650-cm-1 bands does not change appreciably under pressure up to at least 4 GPa. These results are analyzed in terms of the self-trapped model in which a single lattice mode couples with the amide-I excitation by taking into account the effect of pressure on the low-frequency lattice modes and on the dipole-dipole interactions associated with the amide-I vibration. A band is observed at 30 cm-1 below the amide-I phonon band at low temperatures with a pressure above ~2 GPa.

Collective vibrations as doorway states in the damping of nuclear motion

International Nuclear Information System (INIS)

Broglia, R.A.

1983-01-01

The damping of single-particle and giant resonances is studied. Doorway states containing low-lying surface vibrations are found to play a central role in this process. The coupling to these states lead to damping widths consistent with the empirical systematics. It is however not possible to directly relate these two quantities because of the central role played by the correlation between the particles and the hole in the vibration. (Auth.)

Ab initio study of the electron-phonon coupling at the Cr(001) surface

Science.gov (United States)

Peters, L.; Rudenko, A. N.; Katsnelson, M. I.

2018-04-01

It is experimentally well established that the Cr(001) surface exhibits a sharp resonance around the Fermi level. However, there is no consensus about its physical origin. It is proposed to be either due to a single particle dz2 surface state renormalized by electron-phonon coupling or the orbital Kondo effect involving the degenerate dx z/ dy z states. In this paper we examine the electron-phonon coupling of the Cr(001) surface by means of ab-initio calculations in the form of density functional perturbation theory. More precisely, the electron-phonon mass-enhancement factor of the surface layer is investigated for the 3d states. For the majority and minority spin dz2 surface states we find values of 0.19 and 0.16. We show that these calculated electron-phonon mass-enhancement factors are not in agreement with the experimental data even if we use realistic values for the temperature range and surface Debye frequency for the fit of the experimental data. More precisely, then experimentally an electron-phonon mass-enhancement factor of 0.70 ±0.10 is obtained, which is not in agreement with our calculated values of 0.19 and 0.16. Our findings suggest that the experimentally observed resonance at the Cr(001) surface is not due to electron-phonon effects but due to electron-electron correlation effects.

Measurement of surface phonon dispersion relations for LiF, NaF, and KCl through energy-analysed inelastic scattering of a helium atomic beam

International Nuclear Information System (INIS)

Doak, R.B.

1981-01-01

A crystal surface terminates abruptly one dimension of lattice periodicity, constituting a lattice defect with concomitant localized modes of vibration, termed surface phonons. Such surface phonons have previously been investigated in the long wavelength, non-dispersive regime. The present work reports the first observation of surface phonons in the short wavelength, dispersive range. The data allow for the first time a surface phonon dispersion curve to be plotted completely from origin to edge of the surface Brillouin zone. Measurements were made of phonons along the (anti GAMMA anti M) and (anti GAMMA anti X) azimuths of the LiF(001) surface and along the azimuth of NaF(001) and KC1(001) surfaces. The results are in substantial agreement with theoretical predictions, although for LiF the measured Rayleigh dispersion curve at M lies appreciably below the theoretical value, possibly reflecting the effects of surface relaxation. (orig.)

Group-theoretical and topological analysis of localized rotation-vibration states

International Nuclear Information System (INIS)

Sadovskii, D.A.; Zhilinskii, B.I.

1993-01-01

A general scheme of qualitative analysis is applied to molecular rovibrational problems. The classical-quantum correspondence provides a description of different classes of localized quantum rotation-vibration states associated with localized classical motion. A description of qualitative features, such as localized motion, and of qualitative changes, such as localization phenomena, is based on the concept of the simplest Hamiltonian. It uses only the topological properties of the compact reduced phase space and the action of the symmetry group on this space. The qualitative changes of the simplest Hamiltonian are analyzed as bifurcations caused by rotational or vibrational excitation. The relation between the stationary points of the classical Hamiltonian function on the reduced phase space and the principal periodic trajectories in the coordinate space is analyzed for vibrational Hamiltonians. In particular, the relation between the nonlinear normal modes, proposed by Montaldi, Roberts, and Stewart [Philos. Trans. R. Soc. London, Ser. A 325, 237 (1988)], and normal- and local-mode models widely used in molecular physics is discussed. Along with a general consideration of localized rotational and vibrational states a more detailed analysis of the vibrational dynamics of an X 3 molecule with the D 3h symmetry, such as the H 3 + molecular ion, is given

A possible high-mobility signal in bulk MoTe2: Temperature independent weak phonon decay

Directory of Open Access Journals (Sweden)

Titao Li

2016-11-01

Full Text Available Layered transition metal dichalcogenides (TMDs have attracted great attention due to their non-zero bandgap for potential application in high carrier mobility devices. Recent studies demonstrate that the carrier mobility of MoTe2 would decrease by orders of magnitude when used for few-layer transistors. As phonon scattering has a significant influence on carrier mobility of layered material, here, we first reported temperature-dependent Raman spectra of bulk 2H-MoTe2 from 80 to 300 K and discovered that the phonon lifetime of both E12g and A1g vibration modes are independent with temperature. These results were explained by the weak phonon decay in MoTe2. Our results imply the existence of a carrier mobility higher than the theoretical value in intrinsic bulk 2H-MoTe2 and the feasibility to obtain MoTe2-based transistors with sufficiently high carrier mobility.

LABORATORY CHARACTERIZATION AND ASTROPHYSICAL DETECTION OF VIBRATIONALLY EXCITED STATES OF ETHYL CYANIDE

Energy Technology Data Exchange (ETDEWEB)

Daly, A. M.; Bermudez, C.; Alonso, J. L. [Grupo de Espectroscopia Molecular (GEM), Edificio Quifima, Area de Quimica-Fisica, Laboratorios de Espectroscopia y Bioespectroscopia, Unidad Asociada del CSIC, Universidad de Valladolid, E-47005 Valladolid (Spain); Lopez, A.; Tercero, B.; Cernicharo, J. [Department of Astrophysics, CAB, INTA-CSIC, Crta Torrejon, E-28850 Torrejon de Ardoz, Madrid (Spain); Pearson, J. C. [Jet Propulsion Laboratory, California Institute of Technology, 4800 Oak Grove Dr., Padadena, CA 91109 (United States); Marcelino, N., E-mail: adammichael.daly@uva.es, E-mail: cbermu@qf.uva.es, E-mail: jlalonso@qf.uva.es, E-mail: lopezja@cab.inta-csic.es, E-mail: terceromb@cab.inta-csic.es, E-mail: jcernicharo@cab.inta-csic.es, E-mail: John.C.Pearson@jpl.nasa.gov, E-mail: nmarceli@nrao.edu [National Radio Astronomy Observatory, 520 Edgemont Road, Charlottesville, VA 22903 (United States)

2013-05-01

Ethyl cyanide, CH{sub 3}CH{sub 2}CN, is an important interstellar molecule with a very dense rotational-vibrational spectrum. On the basis of new laboratory data in the range of 17-605 GHz and ab initio calculations, two new vibrational states, {nu}{sub 12} and {nu}{sub 20}, have been detected in molecular clouds of Orion. Laboratory data consist of Stark spectroscopy (17-110 GHz) and frequency-modulated spectrometers (GEM laboratory in Valladolid: 17-170, 270-360 GHz; Toyama: 26-200 GHz; Emory: 200-240 GHz; Ohio State: 258-368 GHz; and JPL: 270-318, 395-605 GHz). More than 700 distinct lines of each species were measured in J up to 71 and in K{sub a} up to 25. The states were fitted with Watson's S-reduction Hamiltonian. The two new states have been identified in the interstellar medium toward the Orion Nebula (Orion KL). The ground state, the isotopologues of CH{sub 3}CH{sub 2}CN, and the vibrationally excited states have been fitted to obtain column densities and to derive vibrational temperatures. All together, ethyl cyanide is responsible for more than 2000 lines in the observed frequency range of 80-280 GHz.

Supra-ballistic phonons

International Nuclear Information System (INIS)

Russell, F.M.

1989-05-01

Energetic particles moving with a solid, either from nuclear reactions or externally injected, deposit energy by inelastic scattering processes which eventually appears as thermal energy. If the transfer of energy occurs in a crystalline solid then it is possible to couple some of the energy directly to the nuclei forming the lattice by generating phonons. In this paper the transfer of energy from a compound excited nucleus to the lattice is examined by introducing a virtual particle Π. It is shown that by including a Π in the nuclear reaction a substantial amount of energy can be coupled directly to the lattice. In the lattice this particle behaves as a spatially localized phonon of high energy, the so-called supra-ballistic phonon. By multiple inelastic scattering the supra-ballistic phonon eventually thermalizes. Because both the virtual particle Π and the equivalent supra-ballistic phonon have no charge or spin and can only exist within a lattice it is difficult to detect other than by its decay into thermal phonons. The possibility of a Π removing excess energy from a compound nucleus formed by the cold fusion of deuterium is examined. (Author)

Simultaneous microwave photonic and phononic band gaps in piezoelectric–piezomagnetic superlattices with three types of domains in a unit cell

Energy Technology Data Exchange (ETDEWEB)

Tang, Zheng-hua [Xiangnan University-Gospell Joint Laboratory of Microwave Communication Technology, Xiangnan University, Chenzhou 423000 (China); Jiang, Zheng-Sheng [National Laboratory of Solid State Microstructures and Department of Physics, Nanjing University, Nanjing 210093 (China); Chen, Tao [Laboratory of Quantum Information and Quantum Materials, School of Physics and Telecommunication Engineering, South China Normal University, Guangzhou 510006 (China); Lei, Da-Jun [Xiangnan University-Gospell Joint Laboratory of Microwave Communication Technology, Xiangnan University, Chenzhou 423000 (China); Yan, Wen-Yan, E-mail: yanwenyan88@126.com [School of Software and Communication Engineering, Xiangnan University, Chenzhou 423000 (China); Qiu, Feng; Huang, Jian-Quan; Deng, Hai-Ming; Yao, Min [Xiangnan University-Gospell Joint Laboratory of Microwave Communication Technology, Xiangnan University, Chenzhou 423000 (China)

2016-04-29

A novel phoxonic crystal using the piezoelectric (PMN-PT) and piezomagnetic (CoFe{sub 2}O{sub 4}) superlattices with three types of domains in a unit cell (PPSUC) is present, in which dual microwave photonic and phononic band gaps can be obtained simultaneously. Two categories of phononic band gaps, originating from both the Bragg scattering of acoustic waves in periodic structures at the Brillouin zone boundary and the electromagnetic wave-lattice vibration couplings near the Brillouin zone center, can be observed in the phononic band structures. The general characteristics of the microwave photonic band structures are similar to those of pure piezoelectric or piezomagnetic superlattices, with the major discrepancy being the appearance of nearly dispersionless branches within the microwave photonic band gaps, which show an extremely large group velocity delay. Thus, the properties may also be applied to compact acoustic-microwave devices. - Highlights: • Dual microwave photonic and phononic band gaps can coexist in the PPSUC. • Two categories of phononic band gaps with different mechanism can be obtained. • Nearly dispersionless branches appear in the microwave photonic band gaps.

Mapping momentum-dependent electron-phonon coupling and nonequilibrium phonon dynamics with ultrafast electron diffuse scattering

Science.gov (United States)

Stern, Mark J.; René de Cotret, Laurent P.; Otto, Martin R.; Chatelain, Robert P.; Boisvert, Jean-Philippe; Sutton, Mark; Siwick, Bradley J.

2018-04-01

Despite their fundamental role in determining material properties, detailed momentum-dependent information on the strength of electron-phonon and phonon-phonon coupling (EPC and PPC, respectively) across the entire Brillouin zone has remained elusive. Here we demonstrate that ultrafast electron diffuse scattering (UEDS) directly provides such information. By exploiting symmetry-based selection rules and time resolution, scattering from different phonon branches can be distinguished even without energy resolution. Using graphite as a model system, we show that UEDS patterns map the relative EPC and PPC strength through their profound sensitivity to photoinduced changes in phonon populations. We measure strong EPC to the K -point TO phonon of A1' symmetry (K -A1' ) and along the entire TO branch between Γ -K , not only to the Γ -E2 g phonon. We also determine that the subsequent phonon relaxation of these strongly coupled optical phonons involve three stages: decay via several identifiable channels to TA and LA phonons (1 -2 ps), intraband thermalization of the non-equilibrium TA/LA phonon populations (30 -40 ps) and interband relaxation of the TA/LA modes (115 ps). Combining UEDS with ultrafast angle-resolved photoelectron spectroscopy will yield a complete picture of the dynamics within and between electron and phonon subsystems, helping to unravel complex phases in which the intertwined nature of these systems has a strong influence on emergent properties.

Infrared-active optical phonons in LiFePO4 single crystals

Science.gov (United States)

Stanislavchuk, T. N.; Middlemiss, D. S.; Syzdek, J. S.; Janssen, Y.; Basistyy, R.; Sirenko, A. A.; Khalifah, P. G.; Grey, C. P.; Kostecki, R.

2017-07-01

Infrared-active optical phonons were studied in olivine LiFePO4 oriented single crystals by means of both rotating analyzer and rotating compensator spectroscopic ellipsometry in the spectral range between 50 and 1400 cm-1. The eigenfrequencies, oscillator strengths, and broadenings of the phonon modes were determined from fits of the anisotropic harmonic oscillator model to the data. Optical phonons in a heterosite FePO4 crystal were measured from the delithiated ab-surface of the LiFePO4 crystal and compared with the phonon modes of the latter. Good agreement was found between experimental data and the results of solid-state hybrid density functional theory calculations for the phonon modes in both LiFePO4 and FePO4.

Phonon-affected steady-state transport through molecular quantum dots

Czech Academy of Sciences Publication Activity Database

Koch, T.; Fehske, H.; Loos, Jan

T151, č. 1 (2012), 1-10 ISSN 0031-8949 Institutional research plan: CEZ:AV0Z10100521 Keywords : the ory of electron ic transport * scattering mechanisms * polarons and electron -phonon interactions Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.032, year: 2012

Phononic crystals fundamentals and applications

CERN Document Server

Adibi, Ali

2016-01-01

This book provides an in-depth analysis as well as an overview of phononic crystals. This book discusses numerous techniques for the analysis of phononic crystals and covers, among other material, sonic and ultrasonic structures, hypersonic planar structures and their characterization, and novel applications of phononic crystals. This is an ideal book for those working with micro and nanotechnology, MEMS (microelectromechanical systems), and acoustic devices. This book also: Presents an introduction to the fundamentals and properties of phononic crystals Covers simulation techniques for the analysis of phononic crystals Discusses sonic and ultrasonic, hypersonic and planar, and three-dimensional phononic crystal structures Illustrates how phononic crystal structures are being deployed in communication systems and sensing systems.

Spectral response of crystalline acetanilide and N -methylacetamide: Vibrational self-trapping in hydrogen-bonded crystals

Science.gov (United States)

Edler, Julian; Hamm, Peter

2004-06-01

Femtosecond pump-probe and Fourier transform infrared spectroscopy is applied to compare the spectral response of the amide I band and the NH-stretching band of acetanilide (ACN) and N -methylacetamide (NMA), as well as their deuterated derivatives. Both molecules form hydrogen-bonded molecular crystals that are regarded to be model systems for polypeptides and proteins. The amide I bands of both ACN and NMA show a temperature-dependent sideband, while the NH bands are accompanied by a sequence of equidistantly spaced satellite peaks. These spectral anomalies are interpreted as a signature of vibrational self-trapping. Two different types of states can be identified in both crystals in the pump-probe signal: a delocalized free-exciton state and a set of localized self-trapped states. The phonons that mediate self-trapping in ACN and deuterated ACN are identified by their temperature dependence, confirming our previous results. The study shows that the substructure of the NH band in NMA (amide A and amide B bands) originates, at least partly, from vibrational self-trapping and not, as often assumed, from a Fermi resonance.

Quantum decoherence of phonons in Bose-Einstein condensates

Science.gov (United States)

Howl, Richard; Sabín, Carlos; Hackermüller, Lucia; Fuentes, Ivette

2018-01-01

We apply modern techniques from quantum optics and quantum information science to Bose-Einstein condensates (BECs) in order to study, for the first time, the quantum decoherence of phonons of isolated BECs. In the last few years, major advances in the manipulation and control of phonons have highlighted their potential as carriers of quantum information in quantum technologies, particularly in quantum processing and quantum communication. Although most of these studies have focused on trapped ion and crystalline systems, another promising system that has remained relatively unexplored is BECs. The potential benefits in using this system have been emphasized recently with proposals of relativistic quantum devices that exploit quantum states of phonons in BECs to achieve, in principle, superior performance over standard non-relativistic devices. Quantum decoherence is often the limiting factor in the practical realization of quantum technologies, but here we show that quantum decoherence of phonons is not expected to heavily constrain the performance of these proposed relativistic quantum devices.

General decoupling procedure for expectation values of four-operator products in electron–phonon quantum kinetics

International Nuclear Information System (INIS)

Teeny, Nicolas; Fähnle, Manfred

2013-01-01

In the density-matrix formalism of electron–phonon quantum kinetics, the hierarchy of infinitely many coupled equations of motion for the expectation values of products of electron and phonon creation and annihilation operators of arbitrary order is usually terminated on the level of the equations of motion for the expectation values of three-operator products by using decoupling procedures for the four-operator products occurring in these equations. In the literature, decoupling procedures are discussed for special types of electron and phonon states. In the present paper, generalized decoupling procedures are derived for arbitrary electron and phonon states. (paper)

Multiple topological phases in phononic crystals

KAUST Repository

Chen, Zeguo; Wu, Ying

2017-01-01

We report a new topological phononic crystal in a ring-waveguide acoustic system. In the previous reports on topological phononic crystals, there are two types of topological phases: quantum Hall phase and quantum spin Hall phase. A key point in achieving quantum Hall insulator is to break the time-reversal (TR) symmetry, and for quantum spin Hall insulator, the construction of pseudo-spin is necessary. We build such pseudo-spin states under particular crystalline symmetry (C-6v) and then break the degeneracy of the pseudo-spin states by introducing airflow to the ring. We study the topology evolution by changing both the geometric parameters of the unit cell and the strength of the applied airflow. We find that the system exhibits three phases: quantum spin Hall phase, conventional insulator phase and a new quantum anomalous Hall phase.

Multiple topological phases in phononic crystals

KAUST Repository

Chen, Zeguo

2017-11-20

We report a new topological phononic crystal in a ring-waveguide acoustic system. In the previous reports on topological phononic crystals, there are two types of topological phases: quantum Hall phase and quantum spin Hall phase. A key point in achieving quantum Hall insulator is to break the time-reversal (TR) symmetry, and for quantum spin Hall insulator, the construction of pseudo-spin is necessary. We build such pseudo-spin states under particular crystalline symmetry (C-6v) and then break the degeneracy of the pseudo-spin states by introducing airflow to the ring. We study the topology evolution by changing both the geometric parameters of the unit cell and the strength of the applied airflow. We find that the system exhibits three phases: quantum spin Hall phase, conventional insulator phase and a new quantum anomalous Hall phase.

Phonons as building blocks in nuclear structure

International Nuclear Information System (INIS)

Silvestre-Brac, B.

1980-01-01

The structure of a nuclear system in terms of eigenmodes (phonons) of subsystems is investigated in three different approaches. In the frame of nuclear field theory the three identical particle system is analysed and the elimination of spurious states due to the violation of the Pauli principle is emphasized. In terms of weak coupling, a new approach of the shell model is proposed which is shown to be rapidly convergent with the number of basis vectors. Applications of three particle systems in the lead region are made. Lastly, a microscopic multiphonon theorie of collective K=0 states in deformed nuclei based on a Tamm Dancoff phonon is developed. The role of the Pauli principle as well as comparisons with boson expansion methods are deeply analysed [fr

Enhancing of optic phonon contribution in hydrodynamic phonon transport

Science.gov (United States)

de Tomas, C.; Cantarero, A.; Lopeandia, A. F.; Alvarez, F. X.

2015-10-01

In the framework of the kinetic-collective model of phonon heat transport, we analyze how each range of the phonon frequency spectrum contributes to the total thermal conductivity both in the macro and the nanoscale. For this purpose, we use two case study samples: naturally occurring bulk silicon and a 115 nm of diameter silicon nanowire. We show that the contribution of high-energy phonons (optic branches) is non-negligible only when N-collisions are strongly present. This contribution increases when the effective size of the sample decreases, and it is found to be up to a 10% at room temperature for the 115 nm nanowire, corroborating preliminar ab-initio predictions.

The interacting quasiparticle–phonon picture and odd–even nuclei. Overview and perspectives

Energy Technology Data Exchange (ETDEWEB)

Mishev, S., E-mail: mishev@theor.jinr.ru; Voronov, V. V., E-mail: voronov@theor.jinr.ru [Joint Institute for Nuclear Research (Russian Federation)

2016-11-15

The role of the nucleon correlations in the ground states of even–even nuclei on the properties of low-lying states in odd–even spherical and transitional nuclei is studied. We reason about this subject using the language of the quasiparticle–phonon model which we extend to take account of the existence of quasiparticle⊗phonon configurations in the wave functions of the ground states of the even–even cores. Of paramount importance to the structure of the low-lying states happens to be the quasiparticle–phonon interaction in the ground states which we evaluated using both the standard and the extended random phase approximations. Numerical calculations for nuclei in the barium and cadmium regions are performed using pairing and quadrupole–quadrupole interaction modes which have the dominant impact on the lowest-lying states’ structure. It is found that states with same angular momentum and parity become closer in energy as compared to the predictions of models disregarding the backward amplitudes, which turns out to be in accord with the experimental data. In addition we found that the interaction between the last quasiparticle and the ground-state phonon admixtures produces configurations which contribute significantly to the magnetic dipolemoment of odd-A nuclei. It also reveals a potential for reproducing their experimental values which proves impossible if this interaction is neglected.

Polariton-acoustic-phonon interaction in a semiconductor microcavity

Science.gov (United States)

Cassabois, G.; Triques, A. L. C.; Bogani, F.; Delalande, C.; Roussignol, Ph.; Piermarocchi, C.

2000-01-01

The broadening of polariton lines by acoustic phonons is investigated in a semiconductor microcavity by means of interferometric correlation measurements with subpicosecond resolution. A decrease of the polariton-acoustic phonon coupling is clearly observed for the lower polariton branch as one approaches the resonance between exciton and photon states. This behavior cannot be explained in terms of a semiclassical linear dispersion theory but requires a full quantum description of the microcavity in the strong-coupling regime.

Phonon properties of americium phosphide

Energy Technology Data Exchange (ETDEWEB)

Arya, B. S., E-mail: bsarya13@yahoo.com [Department of Physics, Govt. Narmada P G College, Hoshangabad -461001 (India); Aynyas, Mahendra [Department of Physics, C. S. A. Govt. P. G. College Sehore-46601 (India); Sanyal, S. P. [Department of Physics, Barkatullah University, Bhopal-462026 (India)

2016-05-23

Phonon properties of AmP have been studied by using breathing shell models (BSM) which includes breathing motion of electrons of the Am atoms due to f-d hybridization. The phonon dispersion curves, specific heat calculated from present model. The calculated phonon dispersion curves of AmP are presented follow the same trend as observed in uranium phosphide. We discuss the significance of this approach in predicting the phonon dispersion curves of these compounds and examine the role of electron-phonon interaction.

Strong electron-phonon interaction in the high-Tc superconductors: Evidence from the infrared

International Nuclear Information System (INIS)

Timusk, T.; Porter, C.D.; Tanner, D.B.

1991-01-01

We show that low-frequency structure in the infrared reflectance of the high-temperature superconductor YBa 2 Cu 3 O 7 results from the electron-phonon interaction. Characteristic antiresonant line shapes are seen in the phonon region of the spectrum and the frequency-dependent scattering rate of the mid-infrared electronic continuum has peaks at 150 cm -1 (19 meV) and at 360 cm -1 (45 meV) in good agreement with phonon density-of-states peaks in neutron time-of-flight spectra that develop in superconducting samples. The interaction between the phonons and the charge carriers can be understood in terms of a charged-phonon model

A temperature dependent study of the Raman-active phonon modes in Ca and Zn doped YBa2Cu3O7-x

International Nuclear Information System (INIS)

Quilty, J. W.; Trodahl, H. J.; Simpson, A.; Flower, N.; Staines, M.; Downes, J.

1996-01-01

Full text: The temperature dependent behaviour of the phonon modes in YBa 2 Cu 3 O 7-x (Y-123) are of interest because the strong electron-phonon coupling within these materials yields information about the magnitude of the superconducting gap. The opening of a gap provides a new decay route for phonons, hence phonons near the gap energy show changes in their frequencies and widths as the temperature drops below T c . The magnitude of the superconducting gap may be estimated from these changes. We report our temperature-dependent measurements of the Raman-active phonon modes in ceramic and preferentially oriented polycrystalline samples of Y-123, under a variety of doping regimes. The samples were made underdoped, optimally doped and overdoped by manipulation of the hole concentration on the Cu-O planes, achieved by changing the oxygen stoichiometry, substitution of Zn for Cu, and substitution of Ca for Y. As observed by others, the 340cm -1 phonon, involving vibrations of the oxygen ions on the Cu-O planes, showed the greatest magnitude of change when the samples were cooled below T c , indicating that the superconducting gap energy is close to that of the 340cm -1 phonon

Yttrium aluminium garnet under pressure: Structural, elastic, and vibrational properties from ab initio studies

International Nuclear Information System (INIS)

Monteseguro, V.; Rodríguez-Hernández, P.; Muñoz, A.

2015-01-01

The structural, elastic, and vibrational properties of yttrium aluminum garnet Y 3 Al 5 O 12 are studied under high pressure by ab initio calculations in the framework of the density functional theory. The calculated ground state properties are in good agreement with the available experimental data. Pressure dependences of bond length and bulk moduli of the constituent polyhedra are reported. The evolution of the elastic constants and the major elastic properties, Young and shear modulus, Poisson's ratios, and Zener anisotropy ratio, are described. The mechanical stability is analyzed, on the light of “Born generalized stability criteria,” showing that the garnet is mechanically unstable above 116 GPa. Symmetries, frequencies, and pressure coefficients of the Raman-active modes are discussed on the basis of the calculated total and partial phonon density of states, which reflect the dynamical contribution of each atom. The relations between the phonon modes of Y 3 Al 5 O 12 and the internal and external molecular modes of the different polyhedra are discussed. Infrared-active modes, as well as the silent modes, and their pressure dependence are also investigated. No dynamical instabilities were found below 116 GPa

Vibrational properties of the Au-(√{3 }×√{3 } )/Si(111) surface reconstruction

Science.gov (United States)

Halbig, B.; Liebhaber, M.; Bass, U.; Geurts, J.; Speiser, E.; Räthel, J.; Chandola, S.; Esser, N.; Krenz, M.; Neufeld, S.; Schmidt, W. G.; Sanna, S.

2018-01-01

The vibrational properties of the Au-induced (√{3 }×√{3 })R 30∘ reconstruction of the Si(111) surface are investigated by polarized surface Raman spectroscopy and density-functional theory. The Raman measurements are performed in situ at room temperature as well as 20 K, and they reveal the presence of vibrational eigenmodes in the spectral range from 20 to 450 cm-1. In particular, two peaks of E symmetry at 75 and 183 cm-1 dominate the spectra. No substantial difference between room- and low-temperature spectra is observed, suggesting that the system does not undergo a phase transition down to 20 K. First-principles calculations are performed based on the structural models discussed in the literature. The thermodynamically stable conjugate honeycomb-chained-trimer model (CHCT) [Surf. Sci. 275, L691 (1992), 10.1016/0039-6028(92)90785-5] leads to phonon eigenvalues compatible with the experimental observations in the investigated spectral range. On the basis of the phonon eigenfrequencies, symmetries, and Raman intensities, we assign the measured spectral features to the calculated phonon modes. The good agreement between measured and calculated modes provides a strong argument in favor of the CHCT model.

Flow-induced vibration in LMFBR steam generators: a state-of-the-art review

International Nuclear Information System (INIS)

Shin, Y.S.; Wambsganss, M.W.

1975-05-01

This state-of-the-art review identifies and discusses existing methods of flow-induced vibration analysis applicable to steam generators, their limitations, and base-technology needs. Also included are discussions of five different LMFBR steam-generator configurations and important design considerations, failure experiences, possible flow-induced excitation mechanisms, vibration testing, and available methods of vibration analysis. The objectives are to aid LMFBR steam-generator designers in making the best possible evaluation of potential vibration in steam-generator internals, and to provide the basis for development of design guidelines to avoid detrimental flow-induced vibration

Vibrational frequencies and dephasing times in excited electronic states by femtosecond time-resolved four-wave mixing

Science.gov (United States)

Joo, Taiha; Albrecht, A. C.

1993-06-01

Time-resolved degenerate four-wave mixing (TRDFWM) for an electronically resonant system in a phase-matching configuration that measures population decay is reported. Because the spectral width of input light exceeds the vibrational Bohr frequency of a strong Raman active mode, the vibrational coherence produces strong oscillations in the TRDFWM signal together with the usual population decay from the excited electronic state. The data are analyzed in terms of a four-level system: ground and excited electronic states each split by a vibrational quantum of a Raman active mode. Absolute frequencies and their dephasing times of the vibrational modes at ≈590 cm -1 are obtained for the excited as well as the ground electronic state. The vibrational dephasing rate in the excited electronic state is about an order of magnitude faster than that in the ground state, the origin of which is speculated upon.

Foreword: The 12th International Conference on Vibrations at Surfaces (VAS 12) (Erice, 20 26 July 2007)

Science.gov (United States)

Benedek, Giorgio; Vattuone, Luca

2008-06-01

The 12th International Conference on Vibrations at Surfaces (VAS 12) took place from 20 26 July 2007 as an event of the International School of Solid State Physics at the Ettore Majorana Foundation and Centre for Scientific Culture, Erice (Italy). The format and special environment of the conference have contributed to its transition from a traditional, medium-size conference into a more effective workshop, with a series of lectures reporting the most recent developments in the field, two poster sessions presenting recent results and even works in progress being discussed. The papers collected in this issue cover the highlights of the conference very thoroughly. Quite a few novel aspects concerning vibrations at surfaces are represented here, for example: new aspects in surface phonon spectroscopy, such as the very recent progress in inelastic x-ray scattering, the first observation of the boson peak in disordered surfaces, progress in the theory of atom scattering inelastic resonances, the action spectroscopy, the study of polycrystalline surfaces with electron energy-loss spectroscopy etc; parallel developments in experimental vibrational studies of adsorbed phases, either inorganic or organic, with those in ab initio theoretical simulations; the theory of enhanced electron--phonon interaction in low dimensions (2D and 1D); the extension from the traditional realm of surface vibrations and spectroscopy to other aspects of surface dynamics, like friction and various nonlinear effects, and to relevant dynamical phenomena occurring at interfaces. Other novelties presented at the conference, but already published in recent issues of the Journal of Physics: Condensed Matter, are also worth mentioning: the spin-echo spectroscopy with 3He allowing for slow-dynamics spectroscopy at very high, unprecedented resolutions (2007 J. Phys.: Cond. Matter 19 300301 and 305010; the first demonstration of dissociative surface trapping of molecules (2007 J. Phys.: Cond. Matter 19

Quasiparticle-phonon nuclear model

International Nuclear Information System (INIS)

Soloviev, V.G.

1977-01-01

The general assumptions of the quasiparticle-phonon model of complex nuclei are given. The choice of the model hamiltonian as an average field and residual forces is discussed. The phonon description and quasiparticle-phonon interaction are presented. The system of basic equations and their approximate solutions are obtained. The approximation is chosen so as to obtain the most correct description of few-quasiparticle components rather than of the whole wave function. The method of strenght functions is presented, which plays a decisive role in practical realization of the quasiparticle-phonon model for the description of some properties of complex nuclei. The range of applicability of the quasiparticle-phonon nuclear model is determined as few-quasiparticle components of the wave functions at low, intermediate and high excitation energies averaged in a certain energy interval

Enhanced phonon-assisted photoluminescence in InAs/GaAs parallelepiped quantum dots

NARCIS (Netherlands)

Fomin, V.; Gladilin, V.N.; Klimin, S.N.; Devreese, J.T.; Koenraad, P.M.; Wolter, J.H.

2000-01-01

We analyze the phonon-assisted photoluminescence due to the intraband transitions of an electron between the size-quantized states in rectangular parallelepiped InAs quantum dots ("quantum bricks") embedded into GaAs. The phonon-assisted photoluminescence is strongly enhanced by two processes.

Gammastrahlung vom Einfang thermischer Neutronen in Hg 199

DEFF Research Database (Denmark)

Maier, B.P.; Gruber, U.; Koch, H. R.

1965-01-01

103 gamma transitions in Hg 200 have been observed. 37 of them were fitted into a level scheme which comprises 17 states. The energy of the one-phonon vibrational stateI=2+ has been determined to be 367.970±0.020 keV, that of the two-phonon vibrational triplet 947.34±0.07 keV, 1029.37±0.05 ke...

Phonon Self-Energy Corrections to Nonzero Wave-Vector Phonon Modes in Single-Layer Graphene

Science.gov (United States)

Araujo, P. T.; Mafra, D. L.; Sato, K.; Saito, R.; Kong, J.; Dresselhaus, M. S.

2012-07-01

Phonon self-energy corrections have mostly been studied theoretically and experimentally for phonon modes with zone-center (q=0) wave vectors. Here, gate-modulated Raman scattering is used to study phonons of a single layer of graphene originating from a double-resonant Raman process with q≠0. The observed phonon renormalization effects are different from what is observed for the zone-center q=0 case. To explain our experimental findings, we explored the phonon self-energy for the phonons with nonzero wave vectors (q≠0) in single-layer graphene in which the frequencies and decay widths are expected to behave oppositely to the behavior observed in the corresponding zone-center q=0 processes. Within this framework, we resolve the identification of the phonon modes contributing to the G⋆ Raman feature at 2450cm-1 to include the iTO+LA combination modes with q≠0 and also the 2iTO overtone modes with q=0, showing both to be associated with wave vectors near the high symmetry point K in the Brillouin zone.

Determination of low-frequency vibrational states in glasses

International Nuclear Information System (INIS)

Ahmad, N.; Hasan, M.M.

1996-01-01

It is shown that density of low frequency (v < 1 THz) vibrational states g(v) in glasses can be determined from heat capacities measured at low temperature. These g(v) are identical to those determined from inelastic neutron scattering studies. The form of g(v) is non quadratic and therefore the Debye density of states may not be used to interpret the Raman, and infrared absorption in glasses. (author)

Circularly polarized zero-phonon transitions of vacancies in diamond at high magnetic fields

Science.gov (United States)

Braukmann, D.; Glaser, E. R.; Kennedy, T. A.; Bayer, M.; Debus, J.

2018-05-01

We study the circularly polarized photoluminescence of negatively charged (NV-) and neutral (NV0) nitrogen-vacancy ensembles and neutral vacancies (V0) in diamond crystals exposed to magnetic fields of up to 10 T. We determine the orbital and spin Zeeman splitting as well as the energetic ordering of their ground and first-excited states. The spin-triplet and -singlet states of the NV- are described by an orbital Zeeman splitting of about 9 μ eV /T , which corresponds to a positive orbital g -factor of gL=0.164 under application of the magnetic field along the (001) and (111) crystallographic directions, respectively. The zero-phonon line (ZPL) of the NV- singlet is defined as a transition from the 1E' states, which are split by gLμBB , to the 1A1 state. The energies of the zero-phonon triplet transitions show a quadratic dependence on intermediate magnetic field strengths, which we attribute to a mixing of excited states with nonzero orbital angular momentum. Moreover, we identify slightly different spin Zeeman splittings in the ground (gs) and excited (es) triplet states, which can be expressed by a deviation between their spin g -factors: gS ,es=gS ,gs+Δ g with values of Δ g =0.014 and 0.029 in the (001) and (111) geometries, respectively. The degree of circular polarization of the NV- ZPLs depends significantly on the temperature, which is explained by an efficient spin-orbit coupling of the excited states mediated through acoustic phonons. We further demonstrate that the sign of the circular polarization degree is switched under rotation of the diamond crystal. A weak Zeeman splitting similar to Δ g μBB measured for the NV- ZPLs is also obtained for the NV0 zero-phonon lines, from which we conclude that the ground state is composed of two optically active states with compensated orbital contributions and opposite spin-1/2 momentum projections. The zero-phonon lines of the V0 show Zeeman splittings and degrees of the circular polarization with opposite

Subterahertz Longitudinal Phonon Modes Propagating in a Lipid Bilayer Immersed in an Aqueous Medium

Science.gov (United States)

Zakhvataev, V. E.

2018-04-01

The properties of subterahertz longitudinal acoustic phonon modes in the hydrophobic region of a lipid bilayer immersed in a compressible viscous aqueous medium are investigated theoretically. An approximate expression is obtained for the Mandelstam-Brillouin components of the dynamic structure factor of a bilayer. The analysis is based on a generalized hydrodynamic model of the "two-dimensional lipid bilayer + three-dimensional fluid medium" system, as well as on known sharp estimates for the frequencies and lifetimes of long-wavelength longitudinal acoustic phonons in a free hydrated lipid bilayer and in water, obtained from inelastic X-ray scattering experiments and molecular dynamics simulations. It is shown that, for characteristic values of the parameters of the membrane system, subterahertz longitudinal phonon-like excitations in the hydrophobic part of the bilayer are underdamped. In this case, the contribution of the viscous flow of the aqueous medium to the damping of a longitudinal membrane mode is small compared with the contribution of the lipid bilayer. Quantitative estimates of the damping ratio agree well with the experimental results for the vibration mode of the enzyme lysozyme in aqueous solution [1]. It is also shown that a coupling between longitudinal phonon modes of the bilayer and relaxation processes in its fluid environment gives rise to an additional peak in the scattering spectrum, which corresponds to a non-propagating mode.

Mode-selective vibrational modulation of charge transport in organic electronic devices

KAUST Repository

Bakulin, Artem A.

2015-08-06

The soft character of organic materials leads to strong coupling between molecular, nuclear and electronic dynamics. This coupling opens the way to influence charge transport in organic electronic devices by exciting molecular vibrational motions. However, despite encouraging theoretical predictions, experimental realization of such approach has remained elusive. Here we demonstrate experimentally that photoconductivity in a model organic optoelectronic device can be modulated by the selective excitation of molecular vibrations. Using an ultrafast infrared laser source to create a coherent superposition of vibrational motions in a pentacene/C60 photoresistor, we observe that excitation of certain modes in the 1,500–1,700 cm−1 region leads to photocurrent enhancement. Excited vibrations affect predominantly trapped carriers. The effect depends on the nature of the vibration and its mode-specific character can be well described by the vibrational modulation of intermolecular electronic couplings. This presents a new tool for studying electron–phonon coupling and charge dynamics in (bio)molecular materials.

Mode-selective vibrational modulation of charge transport in organic electronic devices

KAUST Repository

Bakulin, Artem A.; Lovrincic, Robert; Yu, Xi; Selig, Oleg; Bakker, Huib J.; Rezus, Yves L. A.; Nayak, Pabitra K.; Fonari, Alexandr; Coropceanu, Veaceslav; Bredas, Jean-Luc; Cahen, David

2015-01-01

The soft character of organic materials leads to strong coupling between molecular, nuclear and electronic dynamics. This coupling opens the way to influence charge transport in organic electronic devices by exciting molecular vibrational motions. However, despite encouraging theoretical predictions, experimental realization of such approach has remained elusive. Here we demonstrate experimentally that photoconductivity in a model organic optoelectronic device can be modulated by the selective excitation of molecular vibrations. Using an ultrafast infrared laser source to create a coherent superposition of vibrational motions in a pentacene/C60 photoresistor, we observe that excitation of certain modes in the 1,500–1,700 cm−1 region leads to photocurrent enhancement. Excited vibrations affect predominantly trapped carriers. The effect depends on the nature of the vibration and its mode-specific character can be well described by the vibrational modulation of intermolecular electronic couplings. This presents a new tool for studying electron–phonon coupling and charge dynamics in (bio)molecular materials.

Coherent heat transport in 2D phononic crystals with acoustic impedance mismatch

International Nuclear Information System (INIS)

Arantes, A; Anjos, V

2016-01-01

In this work we have calculated the cumulative thermal conductivities of micro-phononic crystals formed by different combinations of inclusions and matrices at a sub-Kelvin temperature regime. The low-frequency phonon spectra (up to tens of GHz) were obtained by solving the generalized wave equation for inhomogeneous media with the plane wave expansion method. The thermal conductivity was calculated from Boltzmann transport theory highlighting the role of the low-frequency thermal phonons and neglecting phonon–phonon scattering. A purely coherent thermal transport regime was assumed throughout the structures. Our findings show that the cumulative thermal conductivity drops dramatically when compared with their bulk counterpart. Depending on the structural composition this reduction may be attributed to the phonon group velocity due to a flattening of the phonon dispersion relation, the extinction of phonon modes in the density of states or due to the presence of complete band gaps. According to the contrast between the inclusions and the matrices, three types of two dimensional phononic crystals were considered: carbon/epoxy, carbon/polyethylene and tungsten/silicon, which correspond respectively to a moderate, strong and very strong mismatch in the mechanical properties of these materials. (paper)

Isotopic effects on phonon anharmonicity in layered van der Waals crystals: Isotopically pure hexagonal boron nitride

Science.gov (United States)

Cuscó, Ramon; Artús, Luis; Edgar, James H.; Liu, Song; Cassabois, Guillaume; Gil, Bernard

2018-04-01

Hexagonal boron nitride (h -BN) is a layered crystal that is attracting a great deal of attention as a promising material for nanophotonic applications. The strong optical anisotropy of this crystal is key to exploit polaritonic modes for manipulating light-matter interactions in 2D materials. h -BN has also great potential for solid-state neutron detection and neutron imaging devices, given the exceptionally high thermal neutron capture cross section of the boron-10 isotope. A good knowledge of phonons in layered crystals is essential for harnessing long-lived phonon-polariton modes for nanophotonic applications and may prove valuable for developing solid-state 10BN neutron detectors with improved device architectures and higher detection efficiencies. Although phonons in graphene and isoelectronic materials with a similar hexagonal layer structure have been studied, the effect of isotopic substitution on the phonons of such lamellar compounds has not been addressed yet. Here we present a Raman scattering study of the in-plane high-energy Raman active mode on isotopically enriched single-crystal h -BN. Phonon frequency and lifetime are measured in the 80-600-K temperature range for 10B-enriched, 11B-enriched, and natural composition high quality crystals. Their temperature dependence is explained in the light of perturbation theory calculations of the phonon self-energy. The effects of crystal anisotropy, isotopic disorder, and anharmonic phonon-decay channels are investigated in detail. The isotopic-induced changes in the phonon density of states are shown to enhance three-phonon anharmonic decay channels in 10B-enriched crystals, opening the possibility of isotope tuning of the anharmonic phonon decay processes.

Normal processes of phonon-phonon scattering and thermal conductivity of germanium crystals with isotopic disorder

CERN Document Server

Kuleev, I G

2001-01-01

The effect of normal processes of the phonon-phonon scattering on the thermal conductivity of the germanium crystals with various isotopic disorder degrees is considered. The phonon pulse redistribution in the normal scattering processes both inside each oscillatory branch (the Simons mechanism) and between various phonon oscillatory branches (the Herring mechanism) is accounted for. The contributions of the longitudinal and cross-sectional phonons drift motion into the thermal conductivity are analyzed. It is shown that the pulse redistribution in the Herring relaxation mechanism leads to essential suppression of the longitudinal phonons drift motion in the isotopically pure germanium crystals. The calculations results of thermal conductivity for the Herring relaxation mechanism agree well with experimental data on the germanium crystals with various isotopic disorder degrees

Phonon dispersion curves of fcc La

International Nuclear Information System (INIS)

Stassis, C.; Loong, C.; Zarestky, J.

1982-01-01

Large single crystals of fcc La were grown in situ and were used to study the lattice dynamics of this phase of La by coherent inelastic neutron scattering. The phonon dispersion curves have been measured along the [xi00], [xixi0], [xixixi], and [0xi1] symmetry directions at 660 and 1100 K. The T[xixixi] branch exhibits anomalous dispersion for xi>0.25 and, in addition, close to the zone boundary, the phonon frequencies of this branch decrease with decreasing temperature. This soft-mode behavior may be related to the #betta→α# transformation in La, an assumption supported by recent band-theoretical calculations of the generalized susceptibility of fcc La. At X the frequencies of the L[xi00] branch are considerably lower than those of the corresponding branch of #betta#-Ce; a similar but not as pronounced effect is observed for the frequencies of the L[xixixi] branch close to the point L. Since the calculated generalized susceptibility of fcc La exhibits strong peaks at X and L, these anomalies may be due to the renormalization of the phonon frequencies by virtual fbold-arrow-left-rightd transitions to the unoccupied 4f level in La. The data were used to evaluate the elastic constants, the phonon density of states, and the lattice specific heat at constant pressure C/sub P//sup

Vibrational nonadiabaticity and tunneling effects in transition state theory

International Nuclear Information System (INIS)

Marcus, R.A.

1979-01-01

The usual quantum mechanical derivation of transition state theory is a statistical one (a quasi-equilibrium is assumed) or dynamical. The typical dynamical one defines a set of internal states and assumes vibrational adiabaticity. Effects of nonadiabaticity before and after the transition state are included in the present derivation, assuming a classical treatment of the reaction coordinate. The relation to a dynamical derivation of classical mechanical transition state theory is described, and tunneling effects are considered

Vibrational stability of graphene

Directory of Open Access Journals (Sweden)

Yangfan Hu

2013-05-01

Full Text Available The mechanical stability of graphene as temperature rises is analyzed based on three different self-consistent phonon (SCP models. Compared with three-dimensional (3-D materials, the critical temperature Ti at which instability occurs for graphene is much closer to its melting temperature Tm obtained from Monte Carlo simulation (Ti ≃ 2Tm, K. V. Zakharchenko, A. Fasolino, J. H. Los, and M. I. Katsnelson, J. Phys. Condens. Matter 23, 202202. This suggests that thermal vibration plays a significant role in melting of graphene while melting for 3-D materials is often dominated by topologic defects. This peculiar property of graphene derives from its high structural anisotropy, which is characterized by the vibrational anisotropic coefficient (VAC, defined upon its Lindermann ratios in different directions. For any carbon based material with a graphene-like structure, the VAC value must be smaller than 5.4 to maintain its stability. It is also found that the high VAC value of graphene is responsible for its negative thermal expansion coefficient at low temperature range. We believe that the VAC can be regarded as a new criterion concerning the vibrational stability of any low-dimensional (low-D materials.

Phonon self-energy corrections to non-zero wavevector phonon modes in single-layer graphene

Science.gov (United States)

Araujo, Paulo; Mafra, Daniela; Sato, Kentaro; Saito, Richiiro; Kong, Jing; Dresselhaus, Mildred

2012-02-01

Phonon self-energy corrections have mostly been studied theoretically and experimentally for phonon modes with zone-center (q = 0) wave-vectors. Here, gate-modulated Raman scattering is used to study phonons of a single layer of graphene (1LG) in the frequency range from 2350 to 2750 cm-1, which shows the G* and the G'-band features originating from a double-resonant Raman process with q 0. The observed phonon renormalization effects are different from what is observed for the zone-center q = 0 case. To explain our experimental findings, we explored the phonon self-energy for the phonons with non-zero wave-vectors (q 0) in 1LG in which the frequencies and decay widths are expected to behave oppositely to the behavior observed in the corresponding zone-center q = 0 processes. Within this framework, we resolve the identification of the phonon modes contributing to the G* Raman feature at 2450 cm-1 to include the iTO+LA combination modes with q 0 and the 2iTO overtone modes with q = 0, showing both to be associated with wave-vectors near the high symmetry point K in the Brillouin zone.

Nonlinear phononics and structural control of strongly correlated materials

Energy Technology Data Exchange (ETDEWEB)

Mankowsky, Roman

2016-01-20

Mid-infrared light pulses can be used to resonantly excite infrared-active vibrational modes for the phase control of strongly correlated materials on subpicosecond timescales. As the energy is transferred directly into atomic motions, dissipation into the electronic system is reduced, allowing for the emergence of unusual low energy collective properties. Light-induced superconductivity, insulator-metal transitions and melting of magnetic order demonstrate the potential of this method. An understanding of the mechanism, by which these transitions are driven, is however missing. The aim of this work is to uncover this process by investigating the nonlinear lattice dynamics induced by the excitation and to elucidate their contribution to the modulation of collective properties of strongly correlated materials. The first signature of nonlinear lattice dynamics was reported in the observation of coherent phonon oscillations, resonant with the excitation of an infrared-active phonon mode in a manganite. This nonlinear phononic coupling can be described within a model, which predicts not only oscillatory coherent phonons dynamics but also directional atomic displacements along the coupled modes on average, which could cause the previously observed transitions. We verified this directional response and quantified the anharmonic coupling constant by tracing the atomic motions in a time-resolved hard X-ray diffraction experiment with sub-picometer spatial and femtosecond temporal resolution. In a subsequent study, we investigated the role of nonlinear lattice dynamics in the emergence of superconductivity far above the equilibrium transition temperature, an intriguing effect found to follow lattice excitation of YBa{sub 2}Cu{sub 3}O{sub 6+x}. By combining density functional theory (DFT) calculations of the anharmonic coupling constants with time-resolved X-ray diffraction experiments, we identified a structural rearrangement, which appears and decays with the same temporal

Spectroscopy of particle-phonon coupled states in $^{133}$Sb by the cluster transfer reaction of $^{132}$Sn on $^{7}$Li

CERN Multimedia

We propose to investigate, with MINIBALL coupled to T-REX, the one-valence-proton $^{133}$Sb nucleus by the cluster transfer reaction of $^{132}$Sn on $^{7}$Li. The excited $^{133}$Sb will be populated by transfer of a triton into $^{132}$Sn, followed by the emission of an $\\alpha$-particle (detected in T-REX) and 2 neutrons. The aim of the experiment is to locate states arising from the coupling of the valence proton of $^{133}$Sb to the collective low-lying phonon excitations of $^{132}$Sn (in particular the 3$^−$). According to calculations in the weak-coupling approach, these states lie in the 4$\\, - \\,$5 MeV excitation energy region and in the spin interval 1/2$\\, - \\,$ 19/2, i.e., in the region populated by the cluster transfer reaction. The results will be used to perform advanced tests of different types of nuclear interactions, usually employed in the description of particle-phonon coupled excitations. States arising from couplings of the proton with simpler core excitations, involving few nucleons...

Towards a Quantum Interface between Diamond Spin Qubits and Phonons in an Optical Trap

Science.gov (United States)

Ji, Peng; Momeen, M. Ummal; Hsu, Jen-Feng; D'Urso, Brian; Dutt, Gurudev

2014-05-01

We introduce a method to optically levitate a pre-selected nanodiamond crystal in air or vacuum. The nanodiamond containing nitrogen-vacancy (NV) centers is suspended on a monolayer of graphene transferred onto a patterned substrate. Laser light is focused onto the sample, using a home-built confocal microscope with a high numerical aperture (NA = 0.9) objective, simultaneously burning the graphene and creating a 3D optical trap that captures the falling nano-diamond at the beam waist. The trapped diamond is an ultra-high-Q mechanical oscillator, allowing us to engineer strong linear and quadratic coupling between the spin of the NV center and the phonon mode. The system could result in an ideal quantum interface between a spin qubit and vibrational phonon mode, potentially enabling applications in quantum information processing and sensing the development of quantum information storage and processing.

The separation of vibrational coherence from ground- and excited-electronic states in P3HT film

KAUST Repository

Song, Yin

2015-06-07

© 2015 AIP Publishing LLC. Concurrence of the vibrational coherence and ultrafast electron transfer has been observed in polymer/fullerene blends. However, it is difficult to experimentally investigate the role that the excited-state vibrational coherence plays during the electron transfer process since vibrational coherence from the ground- and excited-electronic states is usually temporally and spectrally overlapped. Here, we performed 2-dimensional electronic spectroscopy (2D ES) measurements on poly(3-hexylthiophene) (P3HT) films. By Fourier transforming the whole 2D ES datasets (S (λ 1, T∼ 2, λ 3)) along the population time (T∼ 2) axis, we develop and propose a protocol capable of separating vibrational coherence from the ground- and excited-electronic states in 3D rephasing and nonrephasing beating maps (S (λ 1, ν∼ 2, λ 3)). We found that the vibrational coherence from pure excited electronic states appears at positive frequency (+ ν∼ 2) in the rephasing beating map and at negative frequency (- ν∼ 2) in the nonrephasing beating map. Furthermore, we also found that vibrational coherence from excited electronic state had a long dephasing time of 244 fs. The long-lived excited-state vibrational coherence indicates that coherence may be involved in the electron transfer process. Our findings not only shed light on the mechanism of ultrafast electron transfer in organic photovoltaics but also are beneficial for the study of the coherence effect on photoexcited dynamics in other systems.

The separation of vibrational coherence from ground- and excited-electronic states in P3HT film

International Nuclear Information System (INIS)

Song, Yin; Hellmann, Christoph; Stingelin, Natalie; Scholes, Gregory D.

2015-01-01

Concurrence of the vibrational coherence and ultrafast electron transfer has been observed in polymer/fullerene blends. However, it is difficult to experimentally investigate the role that the excited-state vibrational coherence plays during the electron transfer process since vibrational coherence from the ground- and excited-electronic states is usually temporally and spectrally overlapped. Here, we performed 2-dimensional electronic spectroscopy (2D ES) measurements on poly(3-hexylthiophene) (P3HT) films. By Fourier transforming the whole 2D ES datasets (S(λ 1 ,T ~ 2 ,λ 3 )) along the population time (T ~ 2 ) axis, we develop and propose a protocol capable of separating vibrational coherence from the ground- and excited-electronic states in 3D rephasing and nonrephasing beating maps (S(λ 1 ,ν ~ 2 ,λ 3 )). We found that the vibrational coherence from pure excited electronic states appears at positive frequency (+ν ~ 2 ) in the rephasing beating map and at negative frequency (−ν ~ 2 ) in the nonrephasing beating map. Furthermore, we also found that vibrational coherence from excited electronic state had a long dephasing time of 244 fs. The long-lived excited-state vibrational coherence indicates that coherence may be involved in the electron transfer process. Our findings not only shed light on the mechanism of ultrafast electron transfer in organic photovoltaics but also are beneficial for the study of the coherence effect on photoexcited dynamics in other systems

Preface: Phonons 2007

Science.gov (United States)

Perrin, Bernard

2007-06-01

logo.jpg" ALT="Conference logo"/> The conference PHONONS 2007 was held 15-20 July 2007 in the Conservatoire National des Arts et Métiers (CNAM) Paris, France. CNAM is a college of higher technology for training students in the application of science to industry, founded by Henri Grégoire in 1794. This was the 12th International Conference on Phonon Scattering in Condensed Matter. This international conference series, held every 3 years, started in France at Sainte-Maxime in 1972. It was then followed by meetings at Nottingham (1975), Providence (1979), Stuttgart (1983), Urbana-Champaign (1986), Heidelberg (1989), Ithaca (1992), Sapporo (1995), Lancaster (1998), Dartmouth (2001) and St Petersburg (2004). PHONONS 2007 was attended by 346 delegates from 37 different countries as follows: France 120, Japan 45, Germany 25, USA 25, Russia 21, Italy 13, Poland 9, UK 9, Canada 7, The Netherlands 7, Finland 6, Spain 6, Taiwan 6, Greece 4, India 4, Israel 4, Ukraine 4, Serbia 3, South Africa 3, Argentina 2, Belgium 2, China 2, Iran 2, Korea 2, Romania 2, Switzerland 2, and one each from Belarus, Bosnia-Herzegovina, Brazil, Bulgaria, Egypt, Estonia, Mexico, Moldova, Morocco, Saudi Arabia, Turkey. There were 5 plenary lectures, 14 invited talks and 84 oral contributions; 225 posters were presented during three poster sessions. The first plenary lecture was given by H J Maris who presented fascinating movies featuring the motion of a single electron in liquid helium. Robert Blick gave us a review on the new possibilities afforded by nanotechnology to design nano-electomechanical systems (NEMS) and the way to use them to study elementary and fundamental processes. The growing interest for phonon transport studies in nanostructured materials was demonstrated by Arun Majumdar. Andrey Akimov described how ultrafast acoustic solitons can monitor the optical properties of quantum wells. Finally, Maurice Chapellier told us how phonons can help tracking dark matter. These 328

Millimeterwave spectroscopy of active laser plasmas; the excited vibrational states of HCN

International Nuclear Information System (INIS)

De Lucia, F.C.; Helminger, P.A.

1977-01-01

Millimeter and submillimeter microwave techniques have been used for the spectroscopic study of an HCN laser plasma. Forty-seven rotational transitions in 12 excited vibrational states have been observed. Numerous rotational, vibrational, and perturbation parameters have been calculated from these data. A discussion of experimental techniques is included

Ballistic phonon transport in holey silicon.

Science.gov (United States)

Lee, Jaeho; Lim, Jongwoo; Yang, Peidong

2015-05-13

When the size of semiconductors is smaller than the phonon mean free path, phonons can carry heat with no internal scattering. Ballistic phonon transport has received attention for both theoretical and practical aspects because Fourier's law of heat conduction breaks down and the heat dissipation in nanoscale transistors becomes unpredictable in the ballistic regime. While recent experiments demonstrate room-temperature evidence of ballistic phonon transport in various nanomaterials, the thermal conductivity data for silicon in the length scale of 10-100 nm is still not available due to experimental challenges. Here we show ballistic phonon transport prevails in the cross-plane direction of holey silicon from 35 to 200 nm. The thermal conductivity scales linearly with the length (thickness) even though the lateral dimension (neck) is as narrow as 20 nm. We assess the impact of long-wavelength phonons and predict a transition from ballistic to diffusive regime using scaling models. Our results support strong persistence of long-wavelength phonons in nanostructures and are useful for controlling phonon transport for thermoelectrics and potential phononic applications.

Calculation of Vibrational and Electronic Excited-State Absorption Spectra of Arsenic-Water Complexes Using Density Functional Theory

Science.gov (United States)

2016-06-03

Naval Research Laboratory Washington, DC 20375-5320 NRL/MR/6390--16-9681 Calculation of Vibrational and Electronic Excited -State Absorption Spectra...NUMBER OF PAGES 17. LIMITATION OF ABSTRACT Calculation of Vibrational and Electronic Excited -State Absorption Spectra of Arsenic-Water Complexes Using...Unclassified Unlimited Unclassified Unlimited 59 Samuel G. Lambrakos (202) 767-2601 Calculations are presented of vibrational and electronic excited -state

Probing the Vibrational Spectroscopy of the Deprotonated Thymine Radical by Photodetachment and State-Selective Autodetachment Photoelectron Spectroscopy via Dipole-Bound States

Science.gov (United States)

Huang, Dao-Ling; Zhu, Guo-Zhu; Wang, Lai-Sheng

2016-06-01

Deprotonated thymine can exist in two different forms, depending on which of its two N sites is deprotonated: N1[T-H]^- or N3[T-H]^-. Here we report a photodetachment study of the N1[T-H]^- isomer cooled in a cryogenic ion trap and the observation of an excited dipole-bound state. Eighteen vibrational levels of the dipole-bound state are observed, and its vibrational ground state is found to be 238 ± 5 wn below the detachment threshold of N1[T-H]^-. The electron affinity of the deprotonated thymine radical (N1[T-H]^.) is measured accruately to be 26 322 ± 5 wn (3.2635 ± 0.0006 eV). By tuning the detachment laser to the sixteen vibrational levels of the dipole-bound state that are above the detachment threshold, highly non-Franck-Condon resonant-enhanced photoelectron spectra are obtained due to state- and mode-selective vibrational autodetachment. Much richer vibrational information is obtained for the deprotonated thymine radical from the photodetachment and resonant-enhanced photoelectron spectroscopy. Eleven fundamental vibrational frequencies in the low-frequency regime are obtained for the N1[T-H]^. radical, including the two lowest-frequency internal rotational modes of the methyl group at 70 ± 8 wn and 92 ± 5 wn. D. L. Huang, H. T. Liu, C. G. Ning, G. Z. Zhu and L. S. Wang, Chem. Sci., 6, 3129-3138 (2015)

Acousto-optical phonon excitation in cubic piezoelectric slabs and crystal growth orientation effects

DEFF Research Database (Denmark)

Willatzen, Morten; Duggen, Lars

2017-01-01

In this paper we investigate theoretically the influence of piezoelectric coupling on phonon dispersion relations. Specifically we solve dispersion relations for a fully coupled zinc-blende freestanding quantum well for different orientations of the crystal unit cell. It is shown that the phonon...... mode density in GaAs can change by a factor of approximately 2–3 at qx a = 1 for different crystal-growth directions relative to the slab thickness direction. In particular, it is found that optical and acoustic phonon modes are always piezoelectrically coupled, independent of the crystal...... that the piezoelectric effect leads to a drastically enhanced coupling of acoustic and optical phonon modes and increase in the local phonon density of states near the plasma frequency where the permittivity approaches zero....

Symmetries of Quadrupole-Collective Vibrational Motion in Transitional Even-Even 124−134Xenon Nuclei

CERN Document Server

Pietralla, N; Rainovski, G; Ahn, T; Bauer, C; Leske, J; Möller, O; Möller, T

2010-01-01

Projectile-Coulomb excitation of Xe isotopes has been performed at ANL using the Gammasphere array for the detection of γ-rays. The one-quadrupole phonon 2+ 1,ms mixed-symmetry state (MSS) has been traced in the stable N=80 isotones down to 134Xe. First, the data on absolute E2 andM1 transition rates quantify the amount of F-spin symmetry in these nuclei and provide a new local measure for the pn-QQ interaction. Second, the evolution of the 2+ 1,ms state has been studied along the sequence of stable even-even 124−134Xe isotopes that are considered to form a shape transition path from vibrational nuclei with vibrational U(5) symmetry near N=82 to γ-softly deformed shapes with almost O(6) symmetry. Third, our data on more than 50 absolute E2 transition rates between off-yrast low-spin states of 124,126Xe enable us to quantitatively test O(6) symmetry in these nuclei. As a result we find that O(6) symmetry is more strongly broken in the A=130 mass region than previously thought. The data will be discussed.

Nuts and Bolts of the Ion Band State Theory

Science.gov (United States)

Chubb, Scott R.

2005-12-01

The nuts and bolts of our ion band state theory of low energy nuclear reactions (LENR's) in palladium-deuteride (PdD) and palladium-hydride (PdH) are the electrons that hold together or tear apart the bonds (or lack of bonds) between deuterons (d's) or protons (p's) and the host material. In PdDx and PdHx, this bonding is strongly correlated with loading. In ambient loading conditions (x ≲ 0.6), bonding inhibits ion band state occupation. As x → 1, slight increases and decreases in loading can induce "vibrations" (which have conventionally been thought to occur from phonons) that can induce potential losses or increases of p/d. Naive assumptions about phonons fail to include these losses and increases. These effects can occur because neither H or D has core electrons and because in either PdD or PdH, the electrons near the Fermi energy have negligible overlap with the nucleus of either D or H. In the past, implicitly, we have used these facts to justify our ion band state theory. Here, we present a more formal justification, based on the relationship between H(D) ion band states (IBS's) and H(D) phonons that includes a microscopic picture that explains why occupation of IBS's can occur in PdD and PdH and how this can lead to nuclear reactions.

Soft phonon modes leading to ultralow thermal conductivity and high thermoelectric performance in AgCuTe

Energy Technology Data Exchange (ETDEWEB)

Roychowdhury, Subhajit; Jana, Manoj K.; Pan, Jaysree; Guin, Satya N.; Waghmare, Umesh V.; Biswas, Kanishka [New Chemistry Unit and Theoretical Science Unit, Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR), Bangalore (India); Sanyal, Dirtha [Variable Energy Cyclotron Centre, 1/AF Bidhannagar, Kolkata (India)

2018-04-03

Crystalline solids with intrinsically low lattice thermal conductivity (κ{sub L}) are crucial to realizing high-performance thermoelectric (TE) materials. Herein, we show an ultralow κ{sub L} of 0.35 Wm{sup -1} K{sup -1} in AgCuTe, which has a remarkable TE figure-of-merit, zT of 1.6 at 670 K when alloyed with 10 mol % Se. First-principles DFT calculation reveals several soft phonon modes in its room-temperature hexagonal phase, which are also evident from low-temperature heat-capacity measurement. These phonon modes, dominated by Ag vibrations, soften further with temperature giving a dynamic cation disorder and driving the superionic transition. Intrinsic factors cause an ultralow κ{sub L} in the room-temperature hexagonal phase, while the dynamic disorder of Ag/Cu cations leads to reduced phonon frequencies and mean free paths in the high-temperature rocksalt phase. Despite the cation disorder at elevated temperatures, the crystalline conduits of the rigid anion sublattice give a high power factor. (copyright 2018 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

Electron-phonon and spin-phonon coupling in NaV2O5 : Charge fluctuations effects

NARCIS (Netherlands)

Sherman, E.Ya.; Fischer, M.; Lemmens, P; Loosdrecht, P.H.M. van; Güntherodt, G.

1999-01-01

We show that the asymmetric crystal environment of the V site in the ladder compound NaV2O5 leads to a strong coupling of vanadium 3d electrons to phonons. This coupling causes fluctuations of the charge on the V ions, and favors a transition to a charge-ordered state at low temperatures. In the low

Band structure and phonon properties of lithium fluoride at high pressure

Energy Technology Data Exchange (ETDEWEB)

Panchal, J. M., E-mail: amitjignesh@yahoo.co.in [Government Engineering College, Gandhinagar 382028, Gujarat (India); Department of Physics, University School of Sciences, Gujarat University, Ahmedabad 380009, Gujarat (India); Joshi, Mitesh [Government Polytechnic for Girls, Athwagate, Surat395001, Gujarat (India); Gajjar, P. N., E-mail: pngajjar@rediffmail.com [Department of Physics, University School of Sciences, Gujarat University, Ahmedabad 380009, Gujarat (India)

2016-05-23

High pressure structural and electronic properties of Lithium Fluoride (LiF) have been studied by employing an ab-initio pseudopotential method and a linear response scheme within the density functional theory (DFT) in conjunction with quasi harmonic Debye model. The band structure and electronic density of states conforms that the LiF is stable and is having insulator behavior at ambient as well as at high pressure up to 1 Mbar. Conclusions based on Band structure, phonon dispersion and phonon density of states are outlined.

Band structure and phonon properties of lithium fluoride at high pressure

International Nuclear Information System (INIS)

Panchal, J. M.; Joshi, Mitesh; Gajjar, P. N.

2016-01-01

High pressure structural and electronic properties of Lithium Fluoride (LiF) have been studied by employing an ab-initio pseudopotential method and a linear response scheme within the density functional theory (DFT) in conjunction with quasi harmonic Debye model. The band structure and electronic density of states conforms that the LiF is stable and is having insulator behavior at ambient as well as at high pressure up to 1 Mbar. Conclusions based on Band structure, phonon dispersion and phonon density of states are outlined.

Anharmonic phonons and magnons in BiFeO3

Energy Technology Data Exchange (ETDEWEB)

Delaire, Olivier A [ORNL; Ma, Jie [ORNL; Stone, Matthew B [ORNL; Huq, Ashfia [ORNL; Gout, Delphine J [ORNL; Brown, Craig [National Institute of Standards and Technology (NIST); Wang, Kefeng [Nanjing National Laboratory of Microstructures, Nanjing University, Nanjing; Ren, Zhifeng [Boston College, Chestnut Hill

2012-01-01

The phonon density of states (DOS) and magnetic excitation spectrum of polycrystalline BiFeO3 were measured for temperatures 200 < T < 750K , using inelastic neutron scattering (INS). Our results indicate that the magnetic spectrum of BiFeO3 closely resembles that of similar Fe perovskites, such as LaFeO3, despite the cycloid modulation in BiFeO3. We do not find any evidence for a spin gap. A strong T-dependence of the phonon DOS was found, with a marked broadening of the whole spectrum, providing evidence of strong anharmonicity. This anharmonicity is corroborated by large amplitude motions of Bi and O ions observed with neutron diffraction. These results highlight the importance of spin-phonon coupling in this material.

Thermal diffusivity of electrical insulators at high temperatures: Evidence for diffusion of bulk phonon-polaritons at infrared frequencies augmenting phonon heat conduction

Science.gov (United States)

Hofmeister, Anne M.; Dong, Jianjun; Branlund, Joy M.

2014-04-01

We show that laser-flash analysis measurements of the temperature (T) dependence of thermal diffusivity (D) for diverse non-metallic (e.g., silicates) single-crystals is consistently represented by D(T) = FT-G + HT above 298 K, with G ranging from 0.3 to 2, depending on structure, and H being ˜10-4 K-1 for 51 single-crystals, 3 polycrystals, and two glasses unaffected by disorder or reconstructive phase transitions. Materials exhibiting this behavior include complex silicates with variable amounts of cation disorder, perovskite structured materials, and graphite. The high-temperature term HT becomes important by ˜1300 K, above which temperature its contribution to D(T) exceeds that of the FT-G term. The combination of the FT-G and HT terms produces the nearly temperature independent high-temperature region of D previously interpreted as the minimal phonon mean free path being limited by the finite interatomic spacing. Based on the simplicity of the fit and large number of materials it represents, this finding has repercussions for high-temperature models of heat transport. One explanation is that the two terms describing D(T) are associated with two distinct microscopic mechanisms; here, we explore the possibility that the thermal diffusivity of an electrical insulator could include both a contribution of lattice phonons (the FT-G term) and a contribution of diffusive bulk phonon-polaritons (BPP) at infrared (IR) frequencies (the HT term). The proposed BPP diffusion exists over length scales smaller than the laboratory sample sizes, and transfers mixed light and vibrational energy at a speed significantly smaller than the speed of light. Our diffusive IR-BPP hypothesis is consistent with other experimental observations such as polarization behavior, dependence of D on the number of IR peaks, and H = 0 for Ge and Si, which lack IR fundamentals. A simple quasi-particle thermal diffusion model is presented to begin understanding the contribution from bulk phonon

Fluidelastic vibration of cylinder arrays in axial and cross flow--state of the art

International Nuclear Information System (INIS)

Paidoussis, M.P.

1981-01-01

A critical assessment of the state of the art for flow-induced vibrations of cylinder arrays in cross and axial flow is presented. An historical review highlights the contributions which advanced understanding of the flow-induced vibration phenomena involved and/or predictive ability. In the case of axial-flow-induced vibration, the absence of separated flow regions has contributed towards the development of analytical predictive tools. The designer may predict the onset of fluidelastic instabilities, which generally occur at very high flow velocities, with greater confidence. In contrast, in the case of cross-flow-induced vibration, the complexity of the flow has encouraged more heuristic approaches to be adopted. The state of the art in this case is discussed with the aid of a new classification of the flow-induced vibration phenomena involved, to unify and clarify the contradictory claims facing the designer. It is concluded that, although the physical understanding of cross-flow-induced vibration phenomena is not good, useful design guidelines do exist. These are capable of predicting vibration characteristics to within a factor of 2 to 10. A comprehensive bibliography is included. 115 refs

Dephasing times in quantum dots due to elastic LO phonon-carrier collisions

DEFF Research Database (Denmark)

Uskov, A. V.; Jauho, Antti-Pekka; Tromborg, Bjarne

2000-01-01

Interpretation of experiments on quantum dot (QD) lasers presents a challenge: the phonon bottleneck, which should strongly suppress relaxation and dephasing of the discrete energy states, often seems to be inoperative. We suggest and develop a theory for an intrinsic mechanism for dephasing in Q......: second-order elastic interaction between quantum dot charge carriers and LO phonons. The calculated dephasing times are of the order of 200 fs at room temperature, consistent with experiments. The phonon bottleneck thus does not prevent significant room temperature dephasing....

Tunable topological phases in photonic and phononic crystals

KAUST Repository

Chen, Zeguo

2018-01-01

Topological photonics/phononics, inspired by the discovery of topological insulators, is a prosperous field of research, in which remarkable one-way propagation edge states are robust against impurities or defect without backscattering

Phonons and their dispersion in model ferroelastics Hg2Hal2

Science.gov (United States)

Roginskii, E. M.; Kvasov, A. A.; Markov, Yu. F.; Smirnov, M. B.

2012-05-01

Dispersion relations of the acoustic and optical phonon frequencies have been calculated and plotted, and the density of states of the phonon spectrum of Hg2Cl2 and Hg2Br2 crystals has been derived. The effect of hydrostatic pressure on the frequencies of acoustic and optical phonons and their dispersion has been theoretically analyzed. It has been found that an increase in the pressure leads to a strong softening of the slowest acoustic TA branch (the soft mode) at the X point of the Brillouin zone boundary, which is consistent with the phenomenological Landau theory and correlates with experiment.

Modeling of phonon- and Coulomb-mediated capture processes in quantum dots

DEFF Research Database (Denmark)

Magnúsdóttir, Ingibjörg

2003-01-01

This thesis describes modeling of carrier relaxation processes in self-assembled quantum-dot-structures, with particular emphasis on carrier capture processes in quantum dots. Relaxation by emission of lontitudinal optical (LO) phonons is very efficient in bulk semiconductors and nanostructures...... of higher dimensionality. Here, we investigate carrier capture processes into quantum dots, mediated by emission of one and two LO phonons. In these investigations is is assumed that the dot is empty initially. In the Case of single-phonon capture we also investigate the influence of the presence...... of a charge in the quantum-dot state to which the capture takes place. In general, capture rates are of the same order as capture rates into an empty dot state, but in some cases the dot-size interval for which the capture process is energetically allowed, is considerably reduced.The above calculations...

Nonlinear electron-phonon heat exchange

International Nuclear Information System (INIS)

Woods, L.M.; Mahan, G.D.

1998-01-01

A calculation of the energy exchange between phonons and electrons is done for a metal at very low temperatures. We consider the energy exchange due to two-phonon processes. Second-order processes are expected to be important at temperatures less than 1 K. We include two different second-order processes: (i) the Compton-like scattering of phonons, and (ii) the electron-dual-phonon scattering from the second-order electron-phonon interaction. It is found that the Compton-like process contains a singular energy denominator. The singularity is removed by introducing quasiparticle damping. For pure metals we find that the energy exchange depends upon the lifetime of the electrons and it is proportional to the temperature of the lattice as T L 8 . The same calculation is performed for the electron-dual-phonon scattering and it is found that the temperature dependence is T L 9 . The results can be applied to quantum dot refrigerators. copyright 1998 The American Physical Society

Electronic, phononic, and thermoelectric properties of graphyne sheets

International Nuclear Information System (INIS)

Sevinçli, Hâldun; Sevik, Cem

2014-01-01

Electron, phonon, and thermoelectric transport properties of α-, β-, γ-, and 6,6,12-graphyne sheets are compared and contrasted with those of graphene. α-, β-, and 6,6,12-graphynes, with direction dependent Dirac dispersions, have higher electronic transmittance than graphene. γ-graphyne also attains better electrical conduction than graphene except at its band gap. Vibrationally, graphene conducts heat much more efficiently than graphynes, a behavior beyond an atomic density differences explanation. Seebeck coefficients of the considered Dirac materials are similar but thermoelectric power factors decrease with increasing effective speeds of light. γ-graphyne yields the highest thermoelectric efficiency with a thermoelectric figure of merit as high as ZT = 0.45, almost an order of magnitude higher than that of graphene

Rigorous treatment of the non-ohmic d.c. conductivity due to phonon-assisted tunneling from localized to extended states

International Nuclear Information System (INIS)

Majernikova, E.

1984-03-01

A quantitative treatment of the non-ohmic current response due to delocalization of shallow localized electrons in a model of a disordered solid is given. A phonon-assisted tunneling in electric field from shallow localized to extended states is confirmed as a mechanism leading to the dependence which was experimentally found for chalcogenide glasses. (author)

Self-consistency in the phonon space of the particle-phonon coupling model

Science.gov (United States)

Tselyaev, V.; Lyutorovich, N.; Speth, J.; Reinhard, P.-G.

2018-04-01

In the paper the nonlinear generalization of the time blocking approximation (TBA) is presented. The TBA is one of the versions of the extended random-phase approximation (RPA) developed within the Green-function method and the particle-phonon coupling model. In the generalized version of the TBA the self-consistency principle is extended onto the phonon space of the model. The numerical examples show that this nonlinear version of the TBA leads to the convergence of results with respect to enlarging the phonon space of the model.

Transient thermal and nonthermal electron and phonon relaxation after short-pulsed laser heating of metals

International Nuclear Information System (INIS)

Giri, Ashutosh; Hopkins, Patrick E.

2015-01-01

Several dynamic thermal and nonthermal scattering processes affect ultrafast heat transfer in metals after short-pulsed laser heating. Even with decades of measurements of electron-phonon relaxation, the role of thermal vs. nonthermal electron and phonon scattering on overall electron energy transfer to the phonons remains unclear. In this work, we derive an analytical expression for the electron-phonon coupling factor in a metal that includes contributions from equilibrium and nonequilibrium distributions of electrons. While the contribution from the nonthermal electrons to electron-phonon coupling is non-negligible, the increase in the electron relaxation rates with increasing laser fluence measured by thermoreflectance techniques cannot be accounted for by only considering electron-phonon relaxations. We conclude that electron-electron scattering along with electron-phonon scattering have to be considered simultaneously to correctly predict the transient nature of electron relaxation during and after short-pulsed heating of metals at elevated electron temperatures. Furthermore, for high electron temperature perturbations achieved at high absorbed laser fluences, we show good agreement between our model, which accounts for d-band excitations, and previous experimental data. Our model can be extended to other free electron metals with the knowledge of the density of states of electrons in the metals and considering electronic excitations from non-Fermi surface states

Hypersonic modulation of light in three-dimensional photonic and phononic band-gap materials.

Science.gov (United States)

Akimov, A V; Tanaka, Y; Pevtsov, A B; Kaplan, S F; Golubev, V G; Tamura, S; Yakovlev, D R; Bayer, M

2008-07-18

The elastic coupling between the a-SiO2 spheres composing opal films brings forth three-dimensional periodic structures which besides a photonic stop band are predicted to also exhibit complete phononic band gaps. The influence of elastic crystal vibrations on the photonic band structure has been studied by injection of coherent hypersonic wave packets generated in a metal transducer by subpicosecond laser pulses. These studies show that light with energies close to the photonic band gap can be efficiently modulated by hypersonic waves.

Phonon lineshapes in atom-surface scattering

Energy Technology Data Exchange (ETDEWEB)

MartInez-Casado, R [Department of Chemistry, Imperial College London, South Kensington, London SW7 2AZ (United Kingdom); Sanz, A S; Miret-Artes, S [Instituto de Fisica Fundamental, Consejo Superior de Investigaciones CientIficas, Serrano 123, E-28006 Madrid (Spain)

2010-08-04

Phonon lineshapes in atom-surface scattering are obtained from a simple stochastic model based on the so-called Caldeira-Leggett Hamiltonian. In this single-bath model, the excited phonon resulting from a creation or annihilation event is coupled to a thermal bath consisting of an infinite number of harmonic oscillators, namely the bath phonons. The diagonalization of the corresponding Hamiltonian leads to a renormalization of the phonon frequencies in terms of the phonon friction or damping coefficient. Moreover, when there are adsorbates on the surface, this single-bath model can be extended to a two-bath model accounting for the effect induced by the adsorbates on the phonon lineshapes as well as their corresponding lineshapes.

Superconducting electron tunneling as detection method for low frequency resonant vibration modes of interstitials in fcc lead

International Nuclear Information System (INIS)

Adrian, H.

1981-01-01

The influence of crystal defects on the phonon spectra was studied for fcc lead using superconducting tunneling spectroscopy. The theory predicts low frequency modes for the vibrational states of interstitials in (100) dumbbell configuration. Low temperature irradiation of superconducting point contacts with fast ions (point contact thickness small compared to the average ion range) showed radiation-induced structures in the low-energy part of the Eliashberg function for lead. These resonant modes are reduced by annealing at 18.5 K; they are attributed to small interstitial clusters. The radiation-induced structures are completely removed by room temperature annealing. (orig.)

Vibration Properties of a Steel-PMMA Composite Beam

OpenAIRE

He, Yuyang; Jin, Xiaoxiong

2015-01-01

A steel-polymethyl methacrylate (steel-PMMA) beam was fabricated to investigate the vibration properties of a one-dimensional phononic crystal structure. The experimental system included an excitation system, a signal acquisition system, and a data analysis and processing system. When an excitation signal was exerted on one end of the beam, the signals of six response points were collected with acceleration sensors. Subsequent signal analysis showed that the beam was attenuated in certain fre...

Two-phonon giant resonances in 136Xe, 208Pb, and 238U

International Nuclear Information System (INIS)

Boretzky, K.; Gruenschloss, A.; Ilievski, S.; Adrich, P.; Aumann, T.; Bertulani, C.A.; Cub, J.; Dostal, W.; Eberlein, B.; Elze, T.W.; Emling, H.; Fallot, M.; Holeczek, J.; Holzmann, R.; Kozhuharov, C.; Kratz, J.V.; Kulessa, R.; Leifels, Y.; Leistenschneider, A.; Lubkiewicz, E.; Mordechai, S.; Ohtsuki, T.; Reiter, P.; Simon, H.; Stelzer, K.; Stroth, J.; Suemmerer, K.; Surowiec, A.; Wajda, E.; Walus, W.

2003-07-01

The excitation of the double-phonon giant dipole resonance was observed in heavy projectile nuclei impinging on targets of high nuclear charge with energies of 500-700 MeV/nucleon. New experimental data are presented for 136 Xe and 238 U together with further analysis of earlier data on 208 Pb. Differential cross sections dσ/dE * and dσ/dθ for electromagnetic excitations were deduced. Depending on the isotope, cross sections appear to be enhanced in comparison to those expected from a purely harmonic nuclear dipole response. The cumulative effect of excitations of two-phonon states composed of one dipole and one quadrupole phonon, of predicted anharmoniticies in the double-phonon dipole response, and of damping of the dipole resonance during the collision may account for the discrepancy. In addition, decay properties of two-phonon resonances were studied and compared to that of a statistical decay. (orig.)

System of equations of the quasiparticle-phonon nuclear model with allowance for phonon scattering at finite temperature

International Nuclear Information System (INIS)

Dang, N.D.

1986-01-01

The discovery of giant resonances in reactions of nuclei with heavy ions and in deep inelastic processes has stimulated interest in the study of the properties of highly excited nuclei. By taking into account exactly the population numbers of the single-phonon levels, the authors obtain a system of equations describing the interaction with the configurations in even-even spherical nuclei at a finite temperature. The Pauli principle is taken into account for the two-phonon components of the wave function of the excited states in accordance with an approximate procedure. The new diagrams associated with the introduction of the temperature are analyzed, and a comparison is made with the diagrams of nuclear field theory and the results of the theory of finite Fermi systems

Characteristics of vibrator use by gay and bisexually identified men in the United States.

Science.gov (United States)

Reece, Michael; Rosenberger, Joshua G; Schick, Vanessa; Herbenick, Debby; Dodge, Brian; Novak, David S

2010-10-01

Recent reports indicate that vibrator use during solo and partnered sexual activities is common among heterosexual men and women in the United States. However, little research has comprehensively assessed vibrator use among gay and bisexually identified men. This study sought to document the extent to which gay and bisexually identified men report using vibrators, the sexual and relational situations within which they use them, and how men use vibrators on their own and their partners' bodies. Data were collected from 25,294 gay and bisexually identified men from 50 U.S. states and from the District of Columbia via an internet-based survey. Measures included sociodemographics, health-related indicators, sexual behaviors, and those related to recent and past use of vibrators during solo and partnered sexual interactions with other men. Approximately half (49.8%) of gay and bisexually identified men reported having used vibrators. Most men who had used a vibrator in the past reported use during masturbation (86.2%). When used during partnered interactions, vibrators were incorporated into foreplay (65.9%) and intercourse (59.4%). Men reported frequent insertion of vibrators into the anus or rectum when using them during masturbation (87.3%), which was also common during partnered interactions (∼60%), but varied slightly for casual and relationship sex partners. For both masturbation and partnered interactions, men overwhelmingly endorsed the extent to which vibrator use contributed to sexual arousal, orgasm, and pleasure. Vibrator use during both solo and partnered sexual acts was common among the gay and bisexually identified men in this sample and was described by men as adding to the quality of their sexual experiences. © 2010 International Society for Sexual Medicine.

Rotational structure of the five lowest frequency fundamental vibrational states of dimethylsulfoxide

Science.gov (United States)

Cuisset, Arnaud; Drumel, Marie-Aline Martin; Hindle, Francis; Mouret, Gaël; Sadovskií, Dmitrií A.

2013-10-01

We report on the successful extended analysis of the high-frequency (200-700 GHz) part of the gas phase (sub)mm-wave spectra of dimethylsulfoxide (DMSO). The spectrum was recorded at 100 kHz resolution using a solid state subTHz spectrometer. The five lowest energy fundamental vibrational states of DMSO with frequencies below 400 cm-1 were observed as sidebands along with the main 0←0 band. Neglecting the internal rotation of methyls, our rotational Hamiltonian reproduced the spectrum to the subMHz accuracy. We have found that the asymmetric bending state ν23 is the only low frequency fundamental vibrational state with the "anomalous" rotational structure uncovered in Cuisset et al. [1]. dmsomw 2013-09-04 15:03

Spacetime representation of topological phononics

Science.gov (United States)

Deymier, Pierre A.; Runge, Keith; Lucas, Pierre; Vasseur, Jérôme O.

2018-05-01

Non-conventional topology of elastic waves arises from breaking symmetry of phononic structures either intrinsically through internal resonances or extrinsically via application of external stimuli. We develop a spacetime representation based on twistor theory of an intrinsic topological elastic structure composed of a harmonic chain attached to a rigid substrate. Elastic waves in this structure obey the Klein–Gordon and Dirac equations and possesses spinorial character. We demonstrate the mapping between straight line trajectories of these elastic waves in spacetime and the twistor complex space. The twistor representation of these Dirac phonons is related to their topological and fermion-like properties. The second topological phononic structure is an extrinsic structure composed of a one-dimensional elastic medium subjected to a moving superlattice. We report an analogy between the elastic behavior of this time-dependent superlattice, the scalar quantum field theory and general relativity of two types of exotic particle excitations, namely temporal Dirac phonons and temporal ghost (tachyonic) phonons. These phonons live on separate sides of a two-dimensional frequency space and are delimited by ghost lines reminiscent of the conventional light cone. Both phonon types exhibit spinorial amplitudes that can be measured by mapping the particle behavior to the band structure of elastic waves.

Electronic, phonon and superconducting properties of LaPtBi half-Heusler compound

Science.gov (United States)

Shrivastava, Deepika; Sanyal, Sankar P.

2018-05-01

In the framework of density functional theory based on plane wave pseudopotential method and linear response technique, we have studied the electronic, phonon and superconducting properties of LaPtBi half-Heusler compound. The electronic band structure and density of states show that it is gapless semiconductor which is consistent with previous results. The positive phonon frequencies confirm the stability of this compound in cubic MgAgAs phase. Superconductivity is studied in terms of Eliashberg spectral function (α2F(ω)), electron-phonon coupling constants (λ). The value of electron-phonon coupling parameter is found to be 0.41 and the superconducting transition temperature is calculated to be 0.76 K, in excellent agreement with the experimentally reported values.

Absence of phase-dependent noise in time-domain reflectivity studies of impulsively excited phonons

KAUST Repository

Hussain, A.

2010-06-17

There have been several reports of phase-dependent noise in time-domain reflectivity studies of optical phonons excited by femtosecond laser pulses in semiconductors, semimetals, and superconductors. It was suggested that such behavior is associated with the creation of squeezed phonon states although there is no theoretical model that directly supports such a proposal. We have experimentally re-examined the studies of phonons in bismuth and gallium arsenide, and find no evidence of any phase-dependent noise signature associated with the phonons. We place an upper limit on any such noise at least 40–50 dB lower than previously reported.

Absence of phase-dependent noise in time-domain reflectivity studies of impulsively excited phonons

KAUST Repository

Hussain, A.; Andrews, S. R.

2010-01-01

There have been several reports of phase-dependent noise in time-domain reflectivity studies of optical phonons excited by femtosecond laser pulses in semiconductors, semimetals, and superconductors. It was suggested that such behavior is associated with the creation of squeezed phonon states although there is no theoretical model that directly supports such a proposal. We have experimentally re-examined the studies of phonons in bismuth and gallium arsenide, and find no evidence of any phase-dependent noise signature associated with the phonons. We place an upper limit on any such noise at least 40–50 dB lower than previously reported.

Magnon Broadening Effect by Magnon-Phonon Interaction in Colossal Magnetoresistance Manganites

OpenAIRE

Furukawa, Nobuo

1999-01-01

In order to study the magnetic excitation behaviors in colossal magnetoresistance manganites, a magnon-phonon interacting system is investigated. Sudden broadening of magnon linewidth is obtained when a magnon branch crosses over an optical phonon branch. Onset of the broadening is approximately determined by the magnon density of states. Anomalous magnon damping at the brillouine zone boundary observed in low Curie temperature manganites is explained.

Spectroscopy of infrared-active phonons in high-temperature superconductors

Science.gov (United States)

Litvinchuk, A. P.; Thomsen, C.; Cardona, M.; Borjesson, L.

1995-01-01

For a large variety of superconducting materials both experimental and theoretical lattice dynamical studies have been performed to date. The assignment of the observed infrared- and Raman-active phonon modes to the particular lattice eigenmodes is generally accepted. We will concentrate here upon the analysis of the changes of the infrared-phonon parameters (frequency and linewidth) upon entering the superconducting state which, as will be shown, may provide information on the magnitude of the superconductivity-related gap and its dependence on the superconducting transition temperature Tc.

Electronic Contributions to the Phonon Damping in Metals

Energy Technology Data Exchange (ETDEWEB)

Johnson, Rune

1968-07-15

An imaginary part of the dielectric matrix is derived based on a first order perturbation expansion of the valence electron states in a local potential model of the crystal. The results are used to estimate the electronic contributions to the phonon damping in aluminum and lead. The corrections which have been obtained are of the same order of magnitude at small phonon momenta as the damping earlier calculated for the free electrons. However, the discrepancies between the theoretical and experimental results still remain. The major contribution to damping seems to originate in anharmonic effects, even at 80 deg K.

Temperature dependence of the phonon structure in the high-temperature superconductor Bi2Sr2CaCu2O8 studied by infrared reflectance spectroscopy

International Nuclear Information System (INIS)

Kamaras, K.; Herr, S.L.; Porter, C.D.; Tanner, D.B.; Etemad, S.; Tarascon, J.

1991-01-01

We have investigated a ceramic sample of the high-temperature superconductor Bi 2 Sr 2 CaCu 2 O 8 (T c =85 K) by infrared and visible reflectance spectroscopy at several temperatures both below and above the superconducting transition. We find that the temperature variation in the vibrational region is associated with minima or antiresonance features of the optical conductivity, instead of maxima, indicating strong Fano-type electron-phonon interaction and implying that the phonon structure in the infrared is strongly affected by the ab-plane response

Vibration analysis of primary inlet pipe line during steady state and transient conditions of Pakistan research reactor-1

International Nuclear Information System (INIS)

Ayazuddin, S.K.; Qureshi, A.A.; Hayat, T.

1997-11-01

The Primary Water Inlet Pipeline (PW-IPL) is of stainless steel conveying demineralized water from hold-up tank to the reactor pool of Pakistan Research Reactor-1 (PARR-1). The section of the pipeline from heat exchangers to the valve pit is hanger supported in the pump room and the rest of the section from valve pit to the reactor pool is embedded. The PW-IPL is subjected to steady state and transient vibrations. The reactor pumps, which drive the coolant through various circuits mainly contribute the steady state vibrations, while transient vibrations arise due to instant closure of the check valve (water hammer). The ASME Boiler and Pressure Vessel code provides data about the acceptable limits of stresses related to the primary static stress due to steady state vibrations. However, due to complexity in the pipe structure, stresses related to the transient vibrations are neglected in the code. In this report attempt has been made to analyzed both steady state and transient vibrations of PW-IPL of PARR-1. Since, both the steady state and transient vibrations affect the hanger-supported section of the PW-IPL, therefore, it was selected for vibration test measurements. In the analysis vibration data was compared with the allowable limits and estimations of maximum pressure build-up, eflection, natural frequency, tensile and shear load on hanger support, and the ratio of maximum combine stress to the allowable load were made. (author)

Ab initio structural and vibrational properties of GaAs diamondoids and nanocrystals

Directory of Open Access Journals (Sweden)

Mudar Ahmed Abdulsattar

2014-12-01

Full Text Available Gallium arsenide diamondoids structural and vibrational properties are investigated using density functional theory at the PBE/6-31(d level and basis including polarization functions. Variation of energy gap as these diamondoids increase in size is seen to follow confinement theory for diamondoids having nearly equiaxed dimensions. Density of energy states transforms from nearly single levels to band structure as we reach larger diamondoids. Bonds of surface hydrogen with As atoms are relatively localized and shorter than that bonded to Ga atoms. Ga-As bonds have a distribution range of values due to surface reconstruction and effect of bonding to hydrogen atoms. Experimental bulk Ga-As bond length (2.45 Å is within this distribution range. Tetrahedral and dihedral angles approach values of bulk as we go to higher diamondoids. Optical-phonon energy of larger diamondoids stabilizes at 0.037 eV (297 cm-1 compared to experimental 0.035 eV (285.2 cm-1. Ga-As force constant reaches 1.7 mDyne/Å which is comparable to Ga-Ge force constant (1.74 mDyne/Å. Hydrogen related vibrations are nearly constant and serve as a fingerprint of GaAs diamondoids while Ga-As vibrations vary with size of diamondoids.

Strong anharmonicity in the phonon spectra of PbTe and SnTe from first principles

Science.gov (United States)

Ribeiro, Guilherme A. S.; Paulatto, Lorenzo; Bianco, Raffaello; Errea, Ion; Mauri, Francesco; Calandra, Matteo

2018-01-01

At room temperature, PbTe and SnTe are efficient thermoelectrics with a cubic structure. At low temperature, SnTe undergoes a ferroelectric transition with a critical temperature strongly dependent on the hole concentration, while PbTe is an incipient ferroelectric. By using the stochastic self-consistent harmonic approximation, we investigate the anharmonic phonon spectra and the occurrence of a ferroelectric transition in both systems. We find that vibrational spectra strongly depend on the approximation used for the exchange-correlation kernel in density-functional theory. If gradient corrections and the theoretical volume are employed, then the calculation of the phonon frequencies as obtained from the diagonalization of the free-energy Hessian leads to phonon spectra in good agreement with experimental data for both systems. In PbTe we evaluate the linear thermal expansion coefficient γ =2.3 ×10-5K-1 , finding it to be in good agreement with experimental value of γ =2.04 ×10-5K-1 . Furthermore, we study the phonon spectrum and we do reproduce the transverse optical mode phonon satellite detected in inelastic neutron scattering and the crossing between the transverse optical and the longitudinal acoustic modes along the Γ X direction. The phonon satellite becomes broader at high temperatures but its energy is essentially temperature independent, in agreement with experiments. We decompose the self-consistent harmonic free energy in second-, third-, and fourth-order anharmonic terms. We find that the third- and fourth-order terms are small. However, treating the third-order term perturbatively on top of the second-order self-consistent harmonic free energy overestimates the energy of the satellite associated with the transverse optical mode. On the contrary, a perturbative treatment on top of the harmonic Hamiltonian breaks down and leads to imaginary phonon frequencies already at 300 K. In the case of SnTe, we describe the occurrence of a ferroelectric

Anomalous dispersion of optical phonons in La2-xSrxCuO4 at low temperatures

International Nuclear Information System (INIS)

Bishoyi, K.C.; Rout, G.C.; Behera, S.N.

2001-01-01

Inelastic neutron scattering measurements of cuprate system show that a discontinuity in dispersion develops in the middle of the highest energy of optical phonon at low temperatures. We present here a microscopic theory to explain the phonon anomaly in doped cuprate system in normal state. Anti-ferromagnetism due to copper moments is introduced in the electronic Hamiltonian. Phonon coupling to the hybridisation between conduction electrons of the system and the doped f-electrons is incorporated. The phonon self energy due to electron-phonon interaction, which involves the electronic density response function, is evaluated explicitly by Zubarev's Green's function technique in finite temperature and small wave vector limit. The temperature dependence of phonon frequency and the anomalous phonon dispersion are calculated numerically and studied by varying the position of the f-level (ε f ), the effective electron-phonon coupling strength (g), staggered field (h), and the hybridisation parameter (V). (author)

Time and angle resolved phonon absorption in the fractional quantum hall regime

International Nuclear Information System (INIS)

Devitt, A.M.

2000-09-01

The work described in this thesis is a study of the phonon absorption by a two-dimensional electron system (2DES) in the fractional quantum Hall regime and also at ν = 1/2. The fractional quantum Hall effect arises in 2DES's in high magnetic fields and is characterised by the quantisation of the transverse or Hall resistance and the vanishing longitudinal conductivity. The filling factor denotes the number of filled Landau levels and the quantum Hall effect occurs when this ratio is at certain rational odd denominator filling factors. The phenomenology of the effect arises due to the existence of an energy gap between the ground state and the lowest excited state. This energy gap is characterised by a deep minimum, or minima, at finite in-plane wavevector. Acoustic phonon absorption is expected to probe the energy gap at wavevectors close to or at the minimum in the dispersion curve. The experiments reported here incorporate the use of a thin film heater to produce a pulse of phonons of which a fraction are absorbed by the 2DES. A fast amplifier and signal averaging board enable detection of small signals due to absorption of phonons. The technique used allows time resolution of the phonon signal which typically takes place over a period of 10 μs or so. The time resolution enables different phonon modes to be studied. By altering the position of the heater relative to the 2DES angular resolution is also possible. The phonon absorption at several different filling factors has been investigated and the energy gaps found are in reasonable agreement with theoretical predictions. The absorption at ν 1/2 has also been investigated. Here the composite fermions are expected to have a well defined Fermi wavevector. The absorption at ν = 1/2 and the fractional quantum Hall states is found to be qualitatively and quantitatively different. We see that the change in electron temperature atν = 1/2 is much less than at ν = 1/3 due to the larger heat capacity. At ν = 1

Theory of phonon inelastic atom--surface scattering. I. Quantum mechanical treatment of collision dynamics

International Nuclear Information System (INIS)

Choi, B.H.; Poe, R.T.

1985-01-01

We present a systematic formulation of the atom--surface scattering dynamics which includes the vibrational states of the atoms in the solid (phonons). The properties of the total scattering wave function of the system, a representation of the interaction potential matrix, and the characteristics of the independent physical solutions are all derived from the translational invariance of the full Hamiltonian. The scattering equations in the integral forms as well as the related Green functions were also obtained. The configurational representations of the Green functions, in particular, are quite different from those of the conventional scattering theory where the collision partners are spatially localized. Various versions of the integral expression of scattering, transition, and reactance matrices were also obtained. They are useful for introducing approximation schemes. From the present formulation, some specific theoretical schemes which are more realistic compared to those that have been employed so far and at the same time capable of yielding effective ab initio computation are derived in the following paper. The time reversal invariance and the microscopic reversibility of the atom--surface scattering were discussed. The relations between the in and outgoing scattering wave functions which are satisfied in the atom--surface system and important in the transition matrix methods were presented. The phonon annihilation and creation, and the adsorption and desorption of the atom are related through the time reversal invariance, and thus the microscopic reversibility can be tested by the experiment

Beryllium phonon spectrum from cold neutron measurements

International Nuclear Information System (INIS)

Bulat, I.A.

1979-01-01

The inelastic coherent scattering of neutrons with the initial energy E 0 =4.65 MeV on the spectrometer according to the time of flight is studied in polycrystalline beryllium. The measurements are made for the scattering angles THETA=15, 30, 45, 60, 75 and 90 deg at 293 K. The phonon spectrum of beryllium, i-e. g(w) is reestablished from the experimental data. The data obtained are compared with the data of model calculations. It is pointed out that the phonon spectrum of beryllium has a bit excessive state density in the energy range from 10 to 30 MeV. It is caused by the insufficient statistical accuracy of the experiment at low energy transfer

Novel information theory techniques for phonon spectroscopy

International Nuclear Information System (INIS)

Hague, J P

2007-01-01

The maximum entropy method (MEM) and spectral reverse Monte Carlo (SRMC) techniques are applied to the determination of the phonon density of states (PDOS) from heat-capacity data. The approach presented here takes advantage of the standard integral transform relating the PDOS with the specific heat at constant volume. MEM and SRMC are highly successful numerical approaches for inverting integral transforms. The formalism and algorithms necessary to carry out the inversion of specific heat curves are introduced, and where possible, I have concentrated on algorithms and experimental details for practical usage. Simulated data are used to demonstrate the accuracy of the approach. The main strength of the techniques presented here is that the resulting spectra are always physical: Computed PDOS is always positive and properly applied information theory techniques only show statistically significant detail. The treatment set out here provides a simple, cost-effective and reliable method to determine phonon properties of new materials. In particular, the new technique is expected to be very useful for establishing where interesting phonon modes and properties can be found, before spending time at large scale facilities

Probing exciton density of states through phonon-assisted emission in GaN epilayers: A and B exciton contributions

Science.gov (United States)

Cavigli, Lucia; Gabrieli, Riccardo; Gurioli, Massimo; Bogani, Franco; Feltin, Eric; Carlin, Jean-François; Butté, Raphaël; Grandjean, Nicolas; Vinattieri, Anna

2010-09-01

A detailed experimental investigation of the phonon-assisted emission in a high-quality c -plane GaN epilayer is presented up to 200 K. By performing photoluminescence and reflectivity measurements, we find important etaloning effects in the phonon-replica spectra, which have to be corrected before addressing the lineshape analysis. Direct experimental evidence for free exciton thermalization is found for the whole temperature range investigated. A close comparison with existing models for phonon replicas originating from a thermalized free exciton distribution shows that the simplified and commonly adopted description of the exciton-phonon interaction with a single excitonic band leads to a large discrepancy with experimental data. Only the consideration of the complex nature of the excitonic band in GaN, including A and B exciton contributions, allows accounting for the temperature dependence of the peak energy, intensity, and lineshape of the phonon replicas.

Thermal conductivity of electron-doped CaMnO3 perovskites: Local lattice distortions and optical phonon thermal excitation

International Nuclear Information System (INIS)

Wang Yang; Sui Yu; Wang Xianjie; Su Wenhui; Liu Xiaoyang; Fan, Hong Jin

2010-01-01

The thermal transport properties of a series of electron-doped CaMnO 3 perovskites have been investigated. Throughout the temperature range 5-300 K, phonon thermal conductivity is dominant, and both electron and spin wave contributions are negligible. The short phonon mean free paths in this system result in the relatively low thermal conductivities. The strong phonon scatterings stem from the A-site mismatch and bond-length fluctuations induced by local distortions of MnO 6 octahedra. The thermal conductivity in the magnetically ordered state is enhanced as a result of the decrease in spin-phonon scattering. The results also indicate that above the magnetic ordering temperature, observable thermal excitation of optical phonons occurs. The contribution of optical phonons to thermal conductivity becomes non-negligible and is proposed to play an important role in the glass-like thermal transport behavior (i.e. positive temperature dependence of the thermal conductivity) in the paramagnetic state. These features can be understood in terms of an expression of thermal conductivity that includes both acoustic and optical phonon terms.

Analysis of solid-state transformations of pharmaceutical compounds using vibrational spectroscopy

DEFF Research Database (Denmark)

Heinz, Andrea; Strachan, Clare J; Gordon, Keith C

2009-01-01

OBJECTIVES: Solid-state transformations may occur during any stage of pharmaceutical processing and upon storage of a solid dosage form. Early detection and quantification of these transformations during the manufacture of solid dosage forms is important since the physical form of an active...... pharmaceutical ingredient can significantly influence its processing behaviour, including powder flow and compressibility, and biopharmaceutical properties such as solubility, dissolution rate and bioavailability. KEY FINDINGS: Vibrational spectroscopic techniques such as infrared, near-infrared, Raman and, most...... multivariate approaches where even overlapping spectral bands can be analysed. SUMMARY: This review discusses the applications of different vibrational spectroscopic techniques to detect and monitor solid-state transformations possible for crystalline polymorphs, hydrates and amorphous forms of pharmaceutical...

Propagation of Elastic Waves in a One-Dimensional High Aspect Ratio Nanoridge Phononic Crystal

Directory of Open Access Journals (Sweden)

Abdellatif Gueddida

2018-05-01

Full Text Available We investigate the propagation of elastic waves in a one-dimensional (1D phononic crystal constituted by high aspect ratio epoxy nanoridges that have been deposited at the surface of a glass substrate. With the help of the finite element method (FEM, we calculate the dispersion curves of the modes localized at the surface for propagation both parallel and perpendicular to the nanoridges. When the direction of the wave is parallel to the nanoridges, we find that the vibrational states coincide with the Lamb modes of an infinite plate that correspond to one nanoridge. When the direction of wave propagation is perpendicular to the 1D nanoridges, the localized modes inside the nanoridges give rise to flat branches in the band structure that interact with the surface Rayleigh mode, and possibly open narrow band gaps. Filling the nanoridge structure with a viscous liquid produces new modes that propagate along the 1D finite height multilayer array.

Tunable Topological Phononic Crystals

KAUST Repository

Chen, Zeguo

2016-05-27

Topological insulators first observed in electronic systems have inspired many analogues in photonic and phononic crystals in which remarkable one-way propagation edge states are supported by topologically nontrivial band gaps. Such band gaps can be achieved by breaking the time-reversal symmetry to lift the degeneracy associated with Dirac cones at the corners of the Brillouin zone. Here, we report on our construction of a phononic crystal exhibiting a Dirac-like cone in the Brillouin zone center. We demonstrate that simultaneously breaking the time-reversal symmetry and altering the geometric size of the unit cell result in a topological transition that we verify by the Chern number calculation and edge-mode analysis. We develop a complete model based on the tight binding to uncover the physical mechanisms of the topological transition. Both the model and numerical simulations show that the topology of the band gap is tunable by varying both the velocity field and the geometric size; such tunability may dramatically enrich the design and use of acoustic topological insulators.

Tunable Topological Phononic Crystals

KAUST Repository

Chen, Zeguo; Wu, Ying

2016-01-01

Topological insulators first observed in electronic systems have inspired many analogues in photonic and phononic crystals in which remarkable one-way propagation edge states are supported by topologically nontrivial band gaps. Such band gaps can be achieved by breaking the time-reversal symmetry to lift the degeneracy associated with Dirac cones at the corners of the Brillouin zone. Here, we report on our construction of a phononic crystal exhibiting a Dirac-like cone in the Brillouin zone center. We demonstrate that simultaneously breaking the time-reversal symmetry and altering the geometric size of the unit cell result in a topological transition that we verify by the Chern number calculation and edge-mode analysis. We develop a complete model based on the tight binding to uncover the physical mechanisms of the topological transition. Both the model and numerical simulations show that the topology of the band gap is tunable by varying both the velocity field and the geometric size; such tunability may dramatically enrich the design and use of acoustic topological insulators.

Low frequency phononic band structures in two-dimensional arc-shaped phononic crystals

International Nuclear Information System (INIS)

Xu, Zhenlong; Wu, Fugen; Guo, Zhongning

2012-01-01

The low frequency phononic band structures of two-dimensional arc-shaped phononic crystals (APCs) were studied by the transfer matrix method in cylindrical coordinates. The results showed the first phononic band gaps (PBGs) of APCs from zero Hz with low modes. Locally resonant (LR) gaps were obtained with higher-order rotation symmetry, due to LR frequencies corresponding to the speeds of acoustic waves in the materials. These properties can be efficiently used in a structure for low frequencies that are forbidden, or in a device that permits a narrow window of frequencies. -- Highlights: ► We report a new class of quasi-periodic hetero-structures, arc-shaped phononic crystals (APCs). ► The results show the first PBGs start with zero Hz with low modes. ► Locally resonant (LR) gaps were obtained with higher-order rotation symmetry, due to LR frequencies corresponding to the speeds of acoustic waves in the materials.

SU(6) quadrupole phonon model for even and odd nuclei and the SU(3) limit

Energy Technology Data Exchange (ETDEWEB)

Paar, V; Brant, S [Zagreb Univ. (Yugoslavia). Prirodoslovno Matematicki Fakultet; Canto, L F [Rio de Janeiro Univ. (Brazil). Inst. de Fisica; Leander, G [Lund Inst. of Tech. (Sweden). Dept. of Mathematical Physics; Oak Ridge National Lab., TN (USA)); Vouk, M [Zagreb Univ. (Yugoslavia). Computing Centre SRCE

1982-04-05

Analogous to the equivalence between the SU(6) quadrupole-phonon model (TQM) and the interacting boson model (IBM), the equivalence is pointed out for odd systems between the SU(6) particle quadrupole-phonon coupling model (PTQM) and the interacting boson-fermion model (IBFM). PTQM is formulated starting from the Dyson representation for the odd system. Different aspects of the SU(3) limit of TQM and PTQM are studied; the quadrupole-phonon block structure of rotational bands in even and odd nuclei and analytic expressions based on the coherent state; signature effects generated in PTQM; electromagnetic properties and correction factors for PTQM; overlaps of the PTQM analogs of Nilsson states with Coriolis-coupled Nilsson states and the relation to the rotational model representation.

Communication: Disorder-suppressed vibrational relaxation in vapor-deposited high-density amorphous ice

Science.gov (United States)

Shalit, Andrey; Perakis, Fivos; Hamm, Peter

2014-04-01

We apply two-dimensional infrared spectroscopy to differentiate between the two polyamorphous forms of glassy water, low-density (LDA) and high-density (HDA) amorphous ices, that were obtained by slow vapor deposition at 80 and 11 K, respectively. Both the vibrational lifetime and the bandwidth of the 1-2 transition of the isolated OD stretch vibration of HDO in H2O exhibit characteristic differences when comparing hexagonal (Ih), LDA, and HDA ices, which we attribute to the different local structures - in particular the presence of interstitial waters in HDA ice - that cause different delocalization lengths of intermolecular phonon degrees of freedom. Moreover, temperature dependent measurements show that the vibrational lifetime closely follows the structural transition between HDA and LDA phases.

The Electron-Phonon Interaction as Studied by Photoelectron Spectroscopy

International Nuclear Information System (INIS)

Lynch, D.W.

2004-01-01

With recent advances in energy and angle resolution, the effects of electron-phonon interactions are manifest in many valence-band photoelectron spectra (PES) for states near the Fermi level in metals

Phonon anomalies in trilayer high-Tc cuprate superconductors

International Nuclear Information System (INIS)

Dubroka, Adam; Munzar, Dominik

2004-01-01

We present an extension of the model proposed recently to account for dramatic chAes below T c (anomalies) of some c-axis polarized infrared-active phonons in bilayer cuprate superconductors, that applies to trilayer high-T c compounds. We discuss several types of phonon anomalies that can occur in these systems and demonstrate that our model is capable of explaining the spectral chAes occurring upon entering the superconducting state in the trilayer compound Tl 2 Ba 2 Ca 2 Cu 3 O 10 . The low-temperature spectra of this compound obtained by Zetterer and coworkers display an additional broad absorption band, similar to the one observed in underdoped YBa 2 Cu 3 O 7-δ and Bi 2 Sr 2 CaCu 2 O 8 . In addition, three phonon modes are strongly anomalous. We attribute the absorption band to the transverse Josephson plasma resonance, similar to that of the bilayer compounds. The phonon anomalies are shown to result from a modification of the local fields induced by the formation of the resonance. The spectral chAes in Tl 2 Ba 2 Ca 2 Cu 3 O 10 are compared with those occurring in Bi 2 Sr 2 Ca 2 Cu 3 O 10 , reported recently by Boris and coworkers

Freeform Phononic Waveguides

Directory of Open Access Journals (Sweden)

Georgios Gkantzounis

2017-11-01

Full Text Available We employ a recently introduced class of artificial structurally-disordered phononic structures that exhibit large and robust elastic frequency band gaps for efficient phonon guiding. Phononic crystals are periodic structures that prohibit the propagation of elastic waves through destructive interference and exhibit large band gaps and ballistic propagation of elastic waves in the permitted frequency ranges. In contrast, random-structured materials do not exhibit band gaps and favour localization or diffusive propagation. Here, we use structures with correlated disorder constructed from the so-called stealthy hyperuniform disordered point patterns, which can smoothly vary from completely random to periodic (full order by adjusting a single parameter. Such amorphous-like structures exhibit large band gaps (comparable to the periodic ones, both ballistic-like and diffusive propagation of elastic waves, and a large number of localized modes near the band edges. The presence of large elastic band gaps allows the creation of waveguides in hyperuniform materials, and we analyse various waveguide architectures displaying nearly 100% transmission in the GHz regime. Such phononic-circuit architectures are expected to have a direct impact on integrated micro-electro-mechanical filters and modulators for wireless communications and acousto-optical sensing applications.

Selective ultrafast probing of transient hot chemisorbed and precursor states of CO on Ru(0001)

DEFF Research Database (Denmark)

Beye, M.; Anniyev, T.; Coffee, R.

2013-01-01

to hot-electron-driven vibrational excitations. This process is faster than, but occurs in parallel with, the transition into the precursor state. With resonant x-ray emission spectroscopy, we probe each of these states selectively and determine the respective transient populations depending on optical...... (2013)SCIEAS0036-8075] a phonon-mediated transition into a weakly adsorbed precursor state occurring on a time scale of >2 ps prior to desorption. Here we focus on processes within the first picosecond after laser excitation and show that the metal-adsorbate coordination is initially increased due...

First-principles analysis of the Raman spectrum of vitreous silica: comparison with the vibrational density of states

International Nuclear Information System (INIS)

Umari, P; Pasquarello, Alfredo

2003-01-01

The HH and HV Raman spectra of vitreous silica are calculated from first principles for a model structure consisting of a disordered network of corner-sharing tetrahedra, for which the vibrational properties were obtained previously. We analyse the contribution of specific atomic motions to the Raman spectra and perform a detailed comparison with respect to the vibrational density of states. We find that the HV spectrum closely resembles the vibrational density of states. By comparison, the HH spectrum shows significant differences and arises almost exclusively from oxygen vibrations

First-principles analysis of the Raman spectrum of vitreous silica: comparison with the vibrational density of states

Energy Technology Data Exchange (ETDEWEB)

Umari, P; Pasquarello, Alfredo [Institut de Theorie des Phenomenes Physiques (ITP), Ecole Polytechnique Federale de Lausanne (EPFL), CH-1015 Lausanne (Switzerland); Institut Romand de Recherche Numerique en Physique des Materiaux (IRRMA), CH-1015 Lausanne (Switzerland)

2003-04-30

The HH and HV Raman spectra of vitreous silica are calculated from first principles for a model structure consisting of a disordered network of corner-sharing tetrahedra, for which the vibrational properties were obtained previously. We analyse the contribution of specific atomic motions to the Raman spectra and perform a detailed comparison with respect to the vibrational density of states. We find that the HV spectrum closely resembles the vibrational density of states. By comparison, the HH spectrum shows significant differences and arises almost exclusively from oxygen vibrations.

Taking into account of the Pauli principle in the quasiparticle-phonon nuclear model

International Nuclear Information System (INIS)

Solov'ev, V.G.

1979-01-01

The effect of an exact account taken of the Pauli principle and correlations in ground states in calculations in the framework of the quasiparticle-phonon model of a nucleus has been studied. It is elucidated when it is possible to use the random phase approximation (RPA) and when the Pauli principle should be exactly taken into account. It has been shown that in the quasiparticle-phonon model of a nucleus one may perform calculations with a precise account of the Pauli principle. In most of the problems calculations can be carried out with RPA-phonons

Effect of oxygen incorporation on the vibrational properties of Al0.2Ga0.3In0.5P:Be films

International Nuclear Information System (INIS)

Soubervielle-Montalvo, C.; Vital-Ochoa, O.; Anda, F. de; Vazquez-Cortes, D.; Rodriguez, A.G.; Melendez-Lira, M.; Mendez-Garcia, V.H.

2011-01-01

The vibrational properties of Al 0.2 Ga 0.3 In 0.5 P:Be films grown on (100) GaAs substrates by solid source molecular beam epitaxy varying the phosphorous cracking-zone temperature (PCT) were studied by Raman spectroscopy. The Raman-intensity ratio between the allowed longitudinal optical and the forbidden transverse optical (TO) phonons, and the full width at half maximum of their Lorentzian fits were used to characterize the crystalline quality of the films. The Raman spectra from the samples show changes in the shape and intensity of phonon resonances depending on the PCT variation, indicating that the disorder in the lattice increases with PCT. The increasing disorder is related to the inclusion of oxygen, which act as a non-intentional perturbing impurity in the lattice. In addition, a vibrational mode located at 598 cm -1 related to a forbidden InP-like TO phonon resonance was correlated with oxygen-induced disorder. Photoluminescence at room temperature shows that the high inclusion of oxygen also deteriorates the optical properties of the samples, by introducing non-radiative recombination centers.

Monte Carlo Calculation of Thermal Neutron Inelastic Scattering Cross Section Uncertainties by Sampling Perturbed Phonon Spectra

Science.gov (United States)

Holmes, Jesse Curtis

Nuclear data libraries provide fundamental reaction information required by nuclear system simulation codes. The inclusion of data covariances in these libraries allows the user to assess uncertainties in system response parameters as a function of uncertainties in the nuclear data. Formats and procedures are currently established for representing covariances for various types of reaction data in ENDF libraries. This covariance data is typically generated utilizing experimental measurements and empirical models, consistent with the method of parent data production. However, ENDF File 7 thermal neutron scattering library data is, by convention, produced theoretically through fundamental scattering physics model calculations. Currently, there is no published covariance data for ENDF File 7 thermal libraries. Furthermore, no accepted methodology exists for quantifying or representing uncertainty information associated with this thermal library data. The quality of thermal neutron inelastic scattering cross section data can be of high importance in reactor analysis and criticality safety applications. These cross sections depend on the material's structure and dynamics. The double-differential scattering law, S(alpha, beta), tabulated in ENDF File 7 libraries contains this information. For crystalline solids, S(alpha, beta) is primarily a function of the material's phonon density of states (DOS). Published ENDF File 7 libraries are commonly produced by calculation and processing codes, such as the LEAPR module of NJOY, which utilize the phonon DOS as the fundamental input for inelastic scattering calculations to directly output an S(alpha, beta) matrix. To determine covariances for the S(alpha, beta) data generated by this process, information about uncertainties in the DOS is required. The phonon DOS may be viewed as a probability density function of atomic vibrational energy states that exist in a material. Probable variation in the shape of this spectrum may be

The Influence of the Optical Phonons on the Non-equilibrium Spin Current in the Presence of Spin-Orbit Couplings

Science.gov (United States)

Hasanirokh, K.; Phirouznia, A.; Majidi, R.

2016-02-01

The influence of the electron coupling with non-polarized optical phonons on magnetoelectric effects of a two-dimensional electron gas system has been investigated in the presence of the Rashba and Dresselhaus spin-orbit couplings. Numerical calculations have been performed in the non-equilibrium regime. In the previous studies in this field, it has been shown that the Rashba and Dresselhaus couplings cannot generate non-equilibrium spin current and the spin current vanishes identically in the absence of other relaxation mechanisms such as lattice vibrations. However, in the current study, based on a semiclassical approach, it was demonstrated that in the presence of electron-phonon coupling, the spin current and other magnetoelectric quantities have been modulated by the strength of the spin-orbit interactions.

Spectroscopic diagnostics of the vibrational population in the ground state of H2 and D2 molecules

International Nuclear Information System (INIS)

Fantz, U.; Heger, B.

1998-01-01

A diagnostic method has been evaluated for measuring the relative vibrational ground-state population of molecular hydrogen and deuterium. It is based on the analysis of the diagonal Fulcher bands · 3 Π u →a 3 Σ g + ) and the Franck-Condon principle of excitation. The validity of the underlying assumptions was verified by experiments in microwave discharges and the method is recommended for application in divertor plasmas in controlled fusion experiments. By attributing a vibrational temperature T vib to the ground-state electronic level (X 1 Σ g + ) and assuming population via the Franck-Condon principle, the upper Fulcher state vibrational distribution can be derived theoretically with T vib as parameter. Comparison with experimentally derived upper-state population gives the corresponding T vib of the ground state. The Franck-Condon factors for the · 3 Π 1 Σ g + and · 3 Π u →a 3 Σ g + transitions have been calculated for both hydrogen and deuterium from molecular constants using the FCFRKR code. The method has been applied to low pressure H 2 /He and D 2 /He microwave plasmas, showing good agreement of experimentally and theoretically derived upper Fulcher state vibrational distributions. The vibrational temperatures range from 3200 K to 6800 K for H 2 and 2600 K to 4000 K for D 2 · depending on molecular density, pressure and electron temperature, but indicating nearly the same vibrational population for H 2 and D 2 for comparable plasma conditions. (author)

Vibrational spectroscopy of superconducting MgB2 by neutron inelastic scattering

International Nuclear Information System (INIS)

Muranaka, Takahiro

2001-01-01

Neutron inelastic scattering measurements have been performed on superconducting MgB 2 above and below T c . The temperature dependence of the generalized phonon density-of-states showed clear anomalous behaviour near 24 meV in the acoustic phonon region, which may be interpreted as evidence of a substantial contribution to the total electron-phonon coupling strength deriving from these phonons. Weaker evidence for a corresponding response in the high-energy B bond stretching phonons was also encountered. (author)

Electronic structures and abnormal phonon behaviors of cobalt-modified Na0.5Bi0.5TiO3-6%BaTiO3 single crystals

Science.gov (United States)

Huang, T.; Zhang, P.; Xu, L. P.; Chen, C.; Zhang, J. Z.; Hu, Z. G.; Luo, H. S.; Chu, J. H.

2016-10-01

Optical properties, electronic structures, and structural variations of x wt% cobalt (Co) doped Na0.5Bi0.5TiO3-6%BaTiO3 (x=0%, 0.5%, 0.8%) single crystals have been studied by temperature-dependent optical ellipsometry and Raman spectra from 250 to 650 K. Based on the temperature evolution of electronic transitions (Ecp1 and Ecp2) and the phonon modes involving Ti-O vibrations, two critical temperature points exhibit an increasing trend with Co dopants, which are related to structural variations for ferroelectric to anti-ferroelectric, and anti-ferroelectric to paraelectric transition, respectively. Additionally, distinguishing abnormal phonon behaviors can be observed from Raman spectra for the crystal of x=0.5% and 0.8%, which show reverse frequency shift of the modes involving Ti-O vibration. It can be ascribed to different relative concentration of Co2+ and Co3+ in the crystals, which has been confirmed by X-ray Photoelectron Spectroscopy data.

Electronic structures and abnormal phonon behaviors of cobalt-modified Na0.5Bi0.5TiO3-6%BaTiO3 single crystals

Directory of Open Access Journals (Sweden)

T. Huang

2016-10-01

Full Text Available Optical properties, electronic structures, and structural variations of x wt% cobalt (Co doped Na0.5Bi0.5TiO3-6%BaTiO3 (x=0%, 0.5%, 0.8% single crystals have been studied by temperature-dependent optical ellipsometry and Raman spectra from 250 to 650 K. Based on the temperature evolution of electronic transitions (Ecp1 and Ecp2 and the phonon modes involving Ti-O vibrations, two critical temperature points exhibit an increasing trend with Co dopants, which are related to structural variations for ferroelectric to anti-ferroelectric, and anti-ferroelectric to paraelectric transition, respectively. Additionally, distinguishing abnormal phonon behaviors can be observed from Raman spectra for the crystal of x=0.5% and 0.8%, which show reverse frequency shift of the modes involving Ti-O vibration. It can be ascribed to different relative concentration of Co2+ and Co3+ in the crystals, which has been confirmed by X-ray Photoelectron Spectroscopy data.

Millimeter-wave and Submillimeter-wave Spectra of Aminoacetonitrile in the Three Lowest Vibrational Excited States

Energy Technology Data Exchange (ETDEWEB)

Esposti, Claudio Degli; Dore, Luca; Melosso, Mattia [Dipartimento di Chimica “Giacomo Ciamician”, Università di Bologna, via Selmi 2, I-40126 Bologna (Italy); Kobayashi, Kaori [Department of Physics, Faculty of Science, University of Toyama, 3190 Gofuku, Toyama 930-8555 (Japan); Fujita, Chiho; Ozeki, Hiroyuki, E-mail: ozeki@env.sci.toho-u.ac.jp [Department of Environmental Science, Faculty of Science, Toho University, 2-2-1 Miyama, Funabashi, 274-8510 (Japan)

2017-06-01

It is important to study possible precursors of amino acids such as glycine to enable future searches in interstellar space. Aminoacetonitrile (NH{sub 2}CH{sub 2}CN) is one of the most feasible molecules for this purpose. This molecule was already detected toward Sgr B2(N). Aminoacetonitrile has a few low-lying vibrational excited states, and transitions within these states may be found in space. In this study, the pure-rotational transitions in the three lowest vibrational states in the 80–450 GHz range have been assigned and analyzed. It was found to be very important to include Coriolis coupling between the two lowest vibrational fundamentals, while the third one was unperturbed. The partition function was evaluated considering these new results.

Collective vibrational spectra of α- and γ-glycine studied by terahertz and Raman spectroscopy

International Nuclear Information System (INIS)

Shi Yulei; Wang Li

2005-01-01

Terahertz time-domain spectroscopy is used to investigate the absorption and dispersion of polycrystalline α- and γ-glycine in the spectral region 0.5-3.0 THz. The spectra exhibit distinct features in these two crystalline phases. The observed far-infrared responses are attributed to intermolecular vibrational modes mediated by hydrogen bonds. We also measure the Raman spectra of the polycrystalline and dissolved glycine in the frequency range 28-3900 cm -1 . The results show that all the vibrational modes below 200 cm -1 are nonlocalized but are of a collective (phonon-like) nature. Furthermore, the temperature dependence of the Raman spectra of α-glycine agrees with the anharmonicity mechanism of the vibrational potentials

Nonlinear generalization of the quasiparticle random phase approximation for description of anharmonic effects in vibrational spectra: Application to the even Ni isotopes

International Nuclear Information System (INIS)

Li, C.T.; Klein, A.

1979-01-01

The theory of anharmonic nuclear vibrational motion (nonlinear equations-of-motion method) developed in the preceding paper is applied to atsup 60,62,64atNi, which exhibit one and two phonon quadrupole collective states. A model Hamiltonian consisting of a modified pairing plus quadrupole interaction is studied first by comparing the results of the nonlinear equations-of-motion method with those of an exact diagonalization. Contrary to popular opinion, the model chosen fails to produce a vibrational spectrum, except in the case of 60 Ni, and as a consequence, the nonlinear equations-of-motion method, designed specifically to describe vibrational spectra, accords well with the exact calculations only for this case. A simple method is then described, within the framework of the nonlinear equations-of-motion method, for refining the model Hamiltonian so as to bring it into accord with experiment. In practice, it is found that a simple additional parameter in the Hamiltonian suffices to yield descriptions of the quadrupole states in Ni isotopes comparable in precision to the most up-to-date versions (modified, adjusted, etc.) of the surface delta interaction model

Active tuning of surface phonon polariton resonances via carrier photoinjection

Science.gov (United States)

Dunkelberger, Adam D.; Ellis, Chase T.; Ratchford, Daniel C.; Giles, Alexander J.; Kim, Mijin; Kim, Chul Soo; Spann, Bryan T.; Vurgaftman, Igor; Tischler, Joseph G.; Long, James P.; Glembocki, Orest J.; Owrutsky, Jeffrey C.; Caldwell, Joshua D.

2018-01-01

Surface phonon polaritons (SPhPs) are attractive alternatives to infrared plasmonics for subdiffractional confinement of infrared light. Localized SPhP resonances in semiconductor nanoresonators are narrow, but that linewidth and the limited extent of the Reststrahlen band limit spectral coverage. To address this limitation, we report active tuning of SPhP resonances in InP and 4H-SiC by photoinjecting free carriers into nanoresonators, taking advantage of the coupling between the carrier plasma and optic phonons to blueshift SPhP resonances. We demonstrate state-of-the-art tuning figures of merit upon continuous-wave excitation (in InP) or pulsed excitation (in 4H-SiC). Lifetime effects cause the tuning to saturate in InP, and carrier redistribution leads to rapid (electronic and phononic excitations.

Analysis of Lattice Thermal Conductivity of Si Considering the Effect of Phonon Dispersion on Three-phonon Processes

Science.gov (United States)

He, Ping; Li, Zhijian

2001-03-01

In this work we present the new relaxation time expressions considering the detailed information of the phonon dispersion. For the three-phonon processes, it is found that only limited types of three-phonon processes are allowed to occur and the attenuation of phonon that conduct heat varies roughly with the fifth power of frequency. By using these expressions, the data of thermal conductivity of bulk silicon is well fitted. And further, the data for thin films of single crystal silicon which cannot be well fitted by the widely used model that proposed by Holland is also well fitted using the new expressions for three-phonon processes and parameters got at the previous step.

Birefringent phononic structures

Directory of Open Access Journals (Sweden)

I. E. Psarobas

2014-12-01

Full Text Available Within the framework of elastic anisotropy, caused in a phononic crystal due to low crystallographic symmetry, we adopt a model structure, already introduced in the case of photonic metamaterials, and by analogy, we study the effect of birefringence and acoustical activity in a phononic crystal. In particular, we investigate its low-frequency behavior and comment on the factors which determine chirality by reference to this model.

Vibrational spectra of four-coordinated random networks with periodic boundary conditions

International Nuclear Information System (INIS)

Guttman, L.

1976-01-01

Examples of perfectly four-coordinated networks satisfying periodic boundary conditions are constructed by a pseudo-random process, starting from a crystalline region. The unphysical features (high density, large deviations from the tetrahedral bond-angle) are removed by systematic modification of the bonding scheme. The vibrational spectra are calculated, using a valence-force potential, and the neutron scattering is computed by a phonon-expansion approximation

Quantum teleportation from light beams to vibrational states of a macroscopic diamond

Science.gov (United States)

Hou, P.-Y.; Huang, Y.-Y.; Yuan, X.-X.; Chang, X.-Y.; Zu, C.; He, L.; Duan, L.-M.

2016-01-01

With the recent development of optomechanics, the vibration in solids, involving collective motion of trillions of atoms, gradually enters into the realm of quantum control. Here, building on the recent remarkable progress in optical control of motional states of diamonds, we report an experimental demonstration of quantum teleportation from light beams to vibrational states of a macroscopic diamond under ambient conditions. Through quantum process tomography, we demonstrate average teleportation fidelity (90.6±1.0)%, clearly exceeding the classical limit of 2/3. The experiment pushes the target of quantum teleportation to the biggest object so far, with interesting implications for optomechanical quantum control and quantum information science. PMID:27240553

Phonon interference control of atomic-scale metamirrors, meta-absorbers, and heat transfer through crystal interfaces

Science.gov (United States)

Kosevich, Yu. A.; Potyomina, L. G.; Darinskii, A. N.; Strelnikov, I. A.

2018-03-01

The paper theoretically studies the possibility of using the effects of phonon interference between paths through different interatomic bonds for the control of phonon heat transfer through internal crystal interfaces and for the design of phonon metamirrors and meta-absorbers. These metamirrors and meta-absorbers are considered to be defect nanolayers of atomic-scale thicknesses embedded in a crystal. Several analytically solvable three-dimensional lattice-dynamics models of the phonon metamirrors and meta-absorbers at the internal crystal planes are described. It is shown that due to destructive interference in the two or more phonon paths, the internal crystal planes, fully or partially filled with weakly bound or heavy-isotope defect atoms, can completely reflect or completely absorb phonons at the transmission antiresonances, whose wavelengths are larger than the effective thickness of the metamirror or meta-absorber. Due to cooperative superradiant effect, the spectral widths of the two-path interference antiresonances for the plane waves are given by the square of partial filling fraction in the defect crystal plane. Our analysis reveals that the presence of two or more phonon paths plays the dominant role in the emergence of the transmission antiresonances in phonon scattering at the defect crystal planes and in reduction of the thermal interface conductance in comparison with the Fano-resonance concept. We study analytically phonon transmission through internal crystal plane in a model cubic lattice of Si-like atoms, partially filled with Ge-like defect atoms. Such a plane can serve as interference phonon metamirror with the transmission antiresonances in the vicinities of eigenmode frequencies of Ge-like defect atoms in the terahertz frequency range. We predict the extraordinary phonon transmission induced by the two-path constructive interference of the lattice waves in resonance with the vibrations of rare host atoms, periodically distributed in the

Raman scattering study of filled skutterudite compounds

International Nuclear Information System (INIS)

Ogita, N; Kojima, R; Hasegawa, T; Takasu, Y; Udagawa, M; Kondo, T; Takeda, N; Ikeno, T; Ishikawa, K; Sugawara, H; Kikuchi, D; Sato, H; Sekine, C; Shirotani, I

2007-01-01

Raman scattering of skutterudite compounds RT 4 X 12 (R=La, Ce, Pr, Nd, Sm and Yb, T=Fe, Ru and Os, X=P and Sb) have been measured. All first-order Raman active phonons are observed and are assigned as the pnicogen vibrations. At the low energy region, the second-order phonons, due to the vibration of the rare earth ions with a flat phonon dispersion, are observed in the spectra of RRu 4 P 12 (R=La and Sm) and ROs 4 Sb 12 (R=La, Ce, Pr, Nd, and Sm). The appearance of the second-order phonons in the spectra is caused by an anharmonic vibrations of rare earth ions in large cage space and a large density of state due to the flat phonon dispersion. However, in spite of the similar cage space, the 2nd-order phonons are hardly observed for RFe 4 Sb 12 and RRu 4 Sb 12 . Thus, these results suggest that the dynamics of the rare earth ion is closely related to not only the cage size but also the electronic state due to the transition metals. Raman spectra of PrRu 4 P 12 show the drastic spectral change due to the metal-insulator transition. The phonon spectra and crystal field excitations due to the structural change have been assigned above and below the transition temperature

Pressure measurements of TO-phonon anharmonicity in isotopic ZnS

Energy Technology Data Exchange (ETDEWEB)

Tallman, R.E.; Weinstein, B.A. [SUNY at Buffalo, Department of Physics, Buffalo, NY 14260 (United States); Ritter, T.M. [Dept. of Chemistry and Physics, UNC Pembroke, NC 28372 (United States); Cantarero, A. [Dept. of Physics and Institute of Materials Science, University of Valencia (Spain); Serrano, J.; Lauck, R.; Cardona, M. [Max-Planck-Institut fuer Festkoerperforschung, 70569 Stuttgart (Germany)

2004-03-01

We have measured the dependence on pressure of the line-widths of the TO and LO Raman phonons of {beta}-ZnS. In order to enhance the phenomena observed, and to eliminate possible effects of isotopic disorder, we have measured a nearly isotopically pure crystal, {sup 68}Zn{sup 32}S. The strongly structured pressure effects observed are interpreted on the basis of anharmonic decay and the corresponding two-phonon density of states. (copyright 2004 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Phonon effects on the radiative recombination of excitons in double quantum dots

Science.gov (United States)

Karwat, Paweł; Sitek, Anna; Machnikowski, Paweł

2011-11-01

We study theoretically the radiative recombination of excitons in double quantum dots in the presence of carrier-phonon coupling. We show that the phonon-induced pure dephasing effects and transitions between the exciton states strongly modify the spontaneous emission process and make it sensitive to temperature, which may lead to nonmonotonic temperature dependence of the time-resolved luminescence. We show also that, under specific resonance conditions, the biexcitonic interband polarization can be coherently transferred to the excitonic one, leading to an extended lifetime of the total coherent polarization, which is reflected in the nonlinear optical spectrum of the system. We study the stability of this effect against phonon-induced decoherence.

One phonon resonant Raman scattering in semiconductor quantum wires: Magnetic field effect

Energy Technology Data Exchange (ETDEWEB)

Betancourt-Riera, Re., E-mail: rbriera@posgrado.cifus.uson.mx [Instituto Tecnologico de Hermosillo, Avenida Tecnologico S/N, Colonia Sahuaro, C.P. 83170, Hermosillo, Sonor, (Mexico); Departamento de Investigacion en Fisica, Universidad de Sonora, Apartado Postal 5-088, C.P. 83190, Hermosillo, Sonora (Mexico); Betancourt-Riera, Ri. [Instituto Tecnologico de Hermosillo, Avenida Tecnologico S/N, Colonia Sahuaro, C.P. 83170, Hermosillo, Sonora (Mexico); Nieto Jalil, J.M. [Tecnologico de Monterrey-Campus Sonora Norte, Bulevar Enrique Mazon Lopez No. 965, C.P. 83000, Hermosillo, Sonora (Mexico); Riera, R. [Departamento de Investigacion en Fisica, Universidad de Sonora, Apartado Postal 5-088, C.P. 83190, Hermosillo, Sonora (Mexico)

2013-02-01

We have developed a theory of one phonon resonant Raman scattering in a semiconductor quantum wire of cylindrical geometry in the presence of an external magnetic field distribution, parallel to the cylinder axis. The effect of the magnetic field in the electron and hole states, and in the Raman scattering efficiency, is determinate. We consider the electron-phonon interaction using a Froehlich-type Hamiltonian, deduced for the case of complete confinement phonon modes by Comas and his collaborators. We also assume T=0 K, a single parabolic conduction and valence bands. The spectra are discussed for different magnetic field values and the selection rules for the processes are also studied.

Electron-phonon coupling from finite differences

Science.gov (United States)

Monserrat, Bartomeu

2018-02-01

The interaction between electrons and phonons underlies multiple phenomena in physics, chemistry, and materials science. Examples include superconductivity, electronic transport, and the temperature dependence of optical spectra. A first-principles description of electron-phonon coupling enables the study of the above phenomena with accuracy and material specificity, which can be used to understand experiments and to predict novel effects and functionality. In this topical review, we describe the first-principles calculation of electron-phonon coupling from finite differences. The finite differences approach provides several advantages compared to alternative methods, in particular (i) any underlying electronic structure method can be used, and (ii) terms beyond the lowest order in the electron-phonon interaction can be readily incorporated. But these advantages are associated with a large computational cost that has until recently prevented the widespread adoption of this method. We describe some recent advances, including nondiagonal supercells and thermal lines, that resolve these difficulties, and make the calculation of electron-phonon coupling from finite differences a powerful tool. We review multiple applications of the calculation of electron-phonon coupling from finite differences, including the temperature dependence of optical spectra, superconductivity, charge transport, and the role of defects in semiconductors. These examples illustrate the advantages of finite differences, with cases where semilocal density functional theory is not appropriate for the calculation of electron-phonon coupling and many-body methods such as the GW approximation are required, as well as examples in which higher-order terms in the electron-phonon interaction are essential for an accurate description of the relevant phenomena. We expect that the finite difference approach will play a central role in future studies of the electron-phonon interaction.

First principles electronic band structure and phonon dispersion curves for zinc blend beryllium chalcogenide

Energy Technology Data Exchange (ETDEWEB)

Dabhi, Shweta, E-mail: venu.mankad@gmail.com; Mankad, Venu, E-mail: venu.mankad@gmail.com; Jha, Prafulla K., E-mail: venu.mankad@gmail.com [Department of Physics, Maharaja Krishnakumasinhji Bhavnagar University, Bhavnagar-364001 (India)

2014-04-24

A detailed theoretical study of structural, electronic and Vibrational properties of BeX compound is presented by performing ab-initio calculations based on density-functional theory using the Espresso package. The calculated value of lattice constant and bulk modulus are compared with the available experimental and other theoretical data and agree reasonably well. BeX (X = S,Se,Te) compounds in the ZB phase are indirect wide band gap semiconductors with an ionic contribution. The phonon dispersion curves are represented which shows that these compounds are dynamically stable in ZB phase.

Thermal expansion of mullite-type Bi{sub 2}Al{sub 4}O{sub 9}: A study by X-ray diffraction, vibrational spectroscopy and density functional theory

Energy Technology Data Exchange (ETDEWEB)

Mangir Murshed, M., E-mail: murshed@uni-bremen.de [Chemische Kristallographie fester Stoffe, Institut für Anorganische Chemie, Universität Bremens, Leobener Straße, D-28359 Bremen (Germany); Mendive, Cecilia B.; Curti, Mariano [Departamento de Química, Facultad de Ciencias Exactas y Naturales, Universidad Nacional de Mar del Plata, Dean Funes 3350, B7600AYL Mar del Plata (Argentina); Šehović, Malik [Chemische Kristallographie fester Stoffe, Institut für Anorganische Chemie, Universität Bremens, Leobener Straße, D-28359 Bremen (Germany); Friedrich, Alexandra [Institut für Geowissenschaften, Abteilung Kristallographie, Goethe-Universität Frankfurt, Altenhöferallee 1, D-60438 Frankfurt am Main (Germany); Fischer, Michael [Kristallographie, FB Geowissenschaften, Universität Bremen, Klagenfurter Straße, D-28359 Bremen (Germany); Gesing, Thorsten M. [Chemische Kristallographie fester Stoffe, Institut für Anorganische Chemie, Universität Bremens, Leobener Straße, D-28359 Bremen (Germany)

2015-09-15

Polycrystalline Bi{sub 2}Al{sub 4}O{sub 9} powder samples were synthesized using the glycerine method. Single crystals were produced from the powder product in a Bi{sub 2}O{sub 3} melt. The lattice thermal expansion of the mullite-type compound was studied using X-ray diffraction, Raman spectroscopy and density functional theory (DFT). The metric parameters were modeled using Grüneisen approximation for the zero pressure equation of state, where the temperature-dependent vibrational internal energy was calculated from the Debye characteristic frequency. Both the first-order and second-order Grüneisen approximations were applied for modeling the volumetric expansion, and the second-order approach provided physically meaningful axial parameters. The phonon density of states as well as phonon dispersion guided to set the characteristic frequency for simulation. The experimental infrared and Raman phonon bands were compared with those calculate from the DFT calculations. Selective Raman modes were analyzed for the thermal anharmonic behaviors using simplified Klemens model. The respective mode Grüneisen parameters were calculated from the pressure-dependent Raman spectra. - Graphical abstract: Crystal structure of mullite-type Bi{sub 2}Al{sub 4}O{sub 9} showing the edge-sharing AlO{sub 6} octahedra running parallel to the c-axis. - Highlights: • Thermal expansion of Bi{sub 2}Al{sub 4}O{sub 9} was studied using XRD, FTIR, Raman and DFT. • Metric parameters were modeled using Grüneisen approximation. • Phonon DOS and phonon dispersion helped to set the Debye frequency. • Mode Grüneisen parameters were calculated from the pressure-dependent Raman spectra. • Anharmonicity was analyzed for some selective Raman modes.

Phonon-induced optical superlattice.

Science.gov (United States)

de Lima, M M; Hey, R; Santos, P V; Cantarero, A

2005-04-01

We demonstrate the formation of a dynamic optical superlattice through the modulation of a semiconductor microcavity by stimulated acoustic phonons. The high coherent phonon population produces a folded optical dispersion relation with well-defined energy gaps and renormalized energy levels, which are accessed using reflection and diffraction experiments.

Vibrational spectrum of solid picene (C22H14)

International Nuclear Information System (INIS)

Joseph, B; Capitani, F; Boeri, L; Malavasi, L; Artioli, G A; Protti, S; Fagnoni, M; Albini, A; Marini, C; Baldassarre, L; Perucchi, A; Lupi, S; Postorino, P; Dore, P

2012-01-01

Recently, Mitsuhashi et al observed superconductivity with a transition temperature up to 18 K in potassium doped picene (C 22 H 14 ), a polycyclic aromatic hydrocarbon compound (Mitsuhashi et al 2010 Nature 464 76). Theoretical analysis indicates the importance of electron-phonon coupling in the superconducting mechanisms of these systems, with different emphasis on inter- and intra-molecular vibrations, depending on the approximations used. Here we present a combined experimental and ab initio study of the Raman and infrared spectrum of undoped solid picene, which allows us to unambiguously assign the vibrational modes. This combined study enables the identification of the modes which couple strongly to electrons and hence can play an important role in the superconducting properties of the doped samples. (fast track communication)

Van der Waals potential and vibrational energy levels of the ground state radon dimer

Science.gov (United States)

Sheng, Xiaowei; Qian, Shifeng; Hu, Fengfei

2017-08-01

In the present paper, the ground state van der Waals potential of the Radon dimer is described by the Tang-Toennies potential model, which requires five essential parameters. Among them, the two dispersion coefficients C6 and C8 are estimated from the well determined dispersion coefficients C6 and C8 of Xe2. C10 is estimated by using the approximation equation that C6C10/C82 has an average value of 1.221 for all the rare gas dimers. With these estimated dispersion coefficients and the well determined well depth De and Re the Born-Mayer parameters A and b are derived. Then the vibrational energy levels of the ground state radon dimer are calculated. 40 vibrational energy levels are observed in the ground state of Rn2 dimer. The last vibrational energy level is bound by only 0.0012 cm-1.

The Astrophysical Weeds: Rotational Transitions in Excited Vibrational States

Science.gov (United States)

Alonso, José L.; Kolesniková, Lucie; Alonso, Elena R.; Mata, Santiago

2017-06-01

The number of unidentified lines in the millimeter and submillimeter wave surveys of the interstellar medium has grown rapidly. The major contributions are due to rotational transitions in excited vibrational states of a relatively few molecules that are called the astrophysical weeds. necessary data to deal with spectral lines from astrophysical weeds species can be obtained from detailed laboratory rotational measurements in the microwave and millimeter wave region. A general procedure is being used at Valladolid combining different time and/or frequency domain spectroscopic tools of varying importance for providing the precise set of spectroscopic constants that could be used to search for this species in the ISM. This is illustrated in the present contribution through its application to several significant examples. Fortman, S. M., Medvedev, I. R., Neese, C.F., & De Lucia, F.C. 2010, ApJ,725, 1682 Rotational Spectra in 29 Vibrationally Excited States of Interstellar Aminoacetonitrile, L. Kolesniková, E. R. Alonso, S. Mata, and J. L. Alonso, The Astrophysical Journal Supplement Series 2017, (in press).

Torsional, Vibrational and Vibration-Torsional Levels in the S_{1} and Ground Cationic D_{0}^{+} States of Para-Fluorotoluene

Science.gov (United States)

Gardner, Adrian M.; Tuttle, William Duncan; Whalley, Laura E.; Claydon, Andrew; Carter, Joseph H.; Wright, Timothy G.

2017-06-01

The S_{1} electronic state and ground state of the cation of para-fluorotoluene (pFT) have been investigated using resonance-enhanced multiphoton ionization (REMPI) spectroscopy and zero-kinetic-energy (ZEKE) spectroscopy. Here we focus on the low wavenumber region where a number of "pure" torsional, fundamental vibrational and vibration-torsional levels are expected; assignments of observed transitions are discussed, which are compared to results of published work on toluene (methylbenzene) from the Lawrance group. The similarity in the activity observed in the excitation spectrum of the two molecules is striking. A. M. Gardner, W. D. Tuttle, L. Whalley, A. Claydon, J. H. Carter and T. G. Wright, J. Chem. Phys., 145, 124307 (2016). J. R. Gascooke, E. A. Virgo, and W. D. Lawrance J. Chem. Phys., 143, 044313 (2015).

Ultra-fast relaxation, decoherence, and localization of photoexcited states in π-conjugated polymers

Science.gov (United States)

Mannouch, Jonathan R.; Barford, William; Al-Assam, Sarah

2018-01-01

The exciton relaxation dynamics of photoexcited electronic states in poly(p-phenylenevinylene) are theoretically investigated within a coarse-grained model, in which both the exciton and nuclear degrees of freedom are treated quantum mechanically. The Frenkel-Holstein Hamiltonian is used to describe the strong exciton-phonon coupling present in the system, while external damping of the internal nuclear degrees of freedom is accounted for by a Lindblad master equation. Numerically, the dynamics are computed using the time evolving block decimation and quantum jump trajectory techniques. The values of the model parameters physically relevant to polymer systems naturally lead to a separation of time scales, with the ultra-fast dynamics corresponding to energy transfer from the exciton to the internal phonon modes (i.e., the C-C bond oscillations), while the longer time dynamics correspond to damping of these phonon modes by the external dissipation. Associated with these time scales, we investigate the following processes that are indicative of the system relaxing onto the emissive chromophores of the polymer: (1) Exciton-polaron formation occurs on an ultra-fast time scale, with the associated exciton-phonon correlations present within half a vibrational time period of the C-C bond oscillations. (2) Exciton decoherence is driven by the decay in the vibrational overlaps associated with exciton-polaron formation, occurring on the same time scale. (3) Exciton density localization is driven by the external dissipation, arising from "wavefunction collapse" occurring as a result of the system-environment interactions. Finally, we show how fluorescence anisotropy measurements can be used to investigate the exciton decoherence process during the relaxation dynamics.

Effect of room temperature lattice vibration on the electron transport in graphene nanoribbons

Science.gov (United States)

Liu, Yue-Yang; Li, Bo-Lin; Chen, Shi-Zhang; Jiang, Xiangwei; Chen, Ke-Qiu

2017-09-01

We observe directly the lattice vibration and its multifold effect on electron transport in zigzag graphene nanoribbons in simulation by utilizing an efficient combined method. The results show that the electron transport fluctuates greatly due to the incessant lattice vibration of the nanoribbons. More interestingly, the lattice vibration behaves like a double-edged sword that it boosts the conductance of symmetric zigzag nanoribbons (containing an even number of zigzag chains along the width direction) while weakens the conductance of asymmetric nanoribbons. As a result, the reported large disparity between the conductances of the two kinds of nanoribbons at 0 K is in fact much smaller at room temperature (300 K). We also find that the spin filter effect that exists in perfect two-dimensional symmetric zigzag graphene nanoribbons is destroyed to some extent by lattice vibrations. Since lattice vibrations or phonons are usually inevitable in experiments, the research is very meaningful for revealing the important role of lattice vibrations play in the electron transport properties of two-dimensional materials and guiding the application of ZGNRs in reality.

Comment on “Temperature dependence of atomic vibrations in mono-layer graphene” [J. Appl. Phys. 118, 074302 (2015)

International Nuclear Information System (INIS)

Susi, T.; Kotakoski, J.

2016-01-01

In an interesting recent study [Allen et al., J. Appl. Phys. 118, 074302 (2015)] (see also their Erratum [Allen et al., J. Appl. Phys. 118, 159902 (2015)]), Allen and co-workers measured the mean square amplitudes of graphene lattice vibrations between 100 and 1300 K and used a simplified theoretical approximation for the acoustic phonon modes to evaluate the maximum phonon wavelengths supported by the lattice. By fitting their data using the smallest wave-vector as the fitting parameter, they found this to be significantly smaller than the physical size of the graphene crystallites

Basis states for the rotational and vibrational limits of nuclear collective motion

International Nuclear Information System (INIS)

Vanagas, V.; Alishauskas, S.; Kalinauskas, R.; Nadzhakov, E.

1980-01-01

Basis states characterized by quantum numbers traditionally used in the rotational and the vibrational limits are treated in an unified way. An explicit basis construction in the Hilbert space of the collective phenomenological nuclear Hamiltonian generalized to six degrees of freedom in both limits is given. This generalization reduces to including an additional degree of freedom allowing to treat both cases within a collective substance of the complete many-body Hilbert space. A group-theoretical approach is applied. From this point of view the problem is reduced to the construction of a set of U(6)-irreducible states labelled by quantum numbers of two special chains of subgroups adapted for the rotational and vibrational limits. In particular, the generalization is more complicated in the case of the chain for the rotational limits. The explicit construction of a basis for both limits is carried out in two steps: 1) construction of the highest weight state for corresponding group irreducible representation - in the case of the rotational limit U(3) and of the vibrational limit O(5); 2) generating a complete set of states by the projection technique. In this framework it is possible to diagonalize a general phenomenological Hamiltonian in cases different from both limits. It is also possible to calculate transition probabilities induced by any physical quantity

Marshak Lectureship: Vibrational properties of isolated color centers in diamond

Science.gov (United States)

Alkauskas, Audrius

In this talk we review our recent work on first-principles calculations of vibrational properties of isolated defect spin qubits and single photon emitters in diamond. These properties include local vibrational spectra, luminescence lineshapes, and electron-phonon coupling. They are key in understanding physical mechanisms behind spin-selective optical initialization and read-out, quantum efficiency of single-photon emitters, as well as in the experimental identification of as yet unknown centers. We first present the methodology to calculate and analyze vibrational properties of effectively isolated defect centers. We then apply the methodology to the nitrogen-vacancy and the silicon-vacancy centers in diamond. First-principles calculations yield important new insights about these important defects. Work performed in collaboration with M. W. Doherty, A. Gali, E. Londero, L. Razinkovas, and C. G. Van de Walle. Supported by the Research Council of Lithuania (Grant M-ERA.NET-1/2015).

Atomic vibration amplitudes in fcc and hcp 4He through x-ray diffraction measurements

International Nuclear Information System (INIS)

Venkataraman, C.T.; Simmons, R.O.

2003-01-01

Atomic vibration amplitudes in dense fcc and hcp 4 He crystals have been measured using synchrotron x rays from the dependence of integrated Bragg intensities up to wave vectors of 91 nm -1 . Observed raw Bragg x-ray integrated intensities cover an extraordinary range, greater than 10 5 , due to the combined effect of the Debye-Waller factor and electronic form factor. From analysis of these intensities mean-square atomic vibration amplitudes Q 2 > and Lindemann ratios are determined. Path-integral Monte Carlo (PIMC) computations of Draeger and Ceperley, extrapolated to the thermodynamic limit, provide excellent agreement with these experimental results. For both present measurements and the PIMC results, one finds both a predominantly Gaussian distribution in Q 2 > and an extraordinarily large Lindemann ratio. In contrast, these directly measured x-ray values are significantly larger than published values inferred from Born-von Karman fitting to phonon dispersion measured by neutron scattering. Mildly anharmonic neon, which is fairly well described by self-consistent phonon theories, is contrasted with present results on fcc 4 He at corresponding densities

Topological chiral phonons in center-stacked bilayer triangle lattices

Science.gov (United States)

Xu, Xifang; Zhang, Wei; Wang, Jiaojiao; Zhang, Lifa

2018-06-01

Since chiral phonons were found in an asymmetric two-dimensional hexagonal lattice, there has been growing interest in the study of phonon chirality, which were experimentally verified very recently in monolayer tungsten diselenide (2018 Science 359 579). In this work, we find chiral phonons with nontrivial topology in center-stacked bilayer triangle lattices. At the Brillouin-zone corners, (), circularly polarized phonons and nonzero phonon Berry curvature are observed. Moreover, we find that the phonon chirality remain robust with changing sublattice mass ratio and interlayer coupling. The chiral phonons at the valleys are demonstrated in doubler-layer sodium chloride along the [1 1 1] direction. We believe that the findings on topological chiral phonons in triangle lattices will give guidance in the study of chiral phonons in real materials and promote the phononic applications.

Waveguiding in supported phononic crystal plates

International Nuclear Information System (INIS)

Vasseur, J; Hladky-Hennion, A-C; Deymier, P; Djafari-Rouhani, B; Duval, F; Dubus, B; Pennec, Y

2007-01-01

We investigate, with the help of the finite element method, the existence of absolute band gaps in the band structure of a free-standing phononic crystal plate and of a phononic crystal slab deposited on a substrate. The two-dimensional phononic crystal is constituted by a square array of holes drilled in an active piezoelectric (PZT5A or AlN) matrix. For both matrix materials, an absolute band gap occurs in the band structure of the free-standing plate provided the thickness of the plate is on the order of magnitude of the lattice parameter. When the plate is deposited on a Si substrate, the absolute band gap still remains when the matrix of the phononic crystal is made of PZT5A. The AlN phononic crystal plate losses its gap when supported by the Si substrate. In the case of the PZT5A matrix, we also study the possibility of localized modes associated with a linear defect created by removing one row of air holes in the deposited phononic crystal plate

One phonon resonant Raman scattering in free-standing quantum wires

International Nuclear Information System (INIS)

Zhao, Xiang-Fu; Liu, Cui-Hong

2007-01-01

The scattering intensity (SI) of a free-standing cylindrical semiconductor quantum wire for an electron resonant Raman scattering (ERRS) process associated with bulk longitudinal optical (LO) phonon modes and surface optical (SO) phonon modes is calculated separately for T=0 K. The Frohlich interaction is considered to illustrate the theory for GaAs and CdS systems. Electron states are confined within a free-standing quantum wire (FSW). Single parabolic conduction and valence bands are assumed. The selection rules are studied. Numerical results and a discussion are also presented for various radii of the cylindrical

Evidence for octupole vibration in the superdeformed well of {sup 190}Hg from eurogam

Energy Technology Data Exchange (ETDEWEB)

Crowell, B.; Carpenter, M.P.; Janssens, R.V.F. [and others

1995-08-01

Gammasphere experiments in 1993-94 brought to light the existence of an excited superdeformed (SD) band in {sup 190}Hg with the unusual property of decaying entirely to the lowest (yrast) SD band over 3-4 transitions, rather than to the normally deformed states as is usually the case in the A {approximately} 150 and A {approximately} 190 regions of superdeformation. Although M1 transitions between signature-partner SD bands were previously observed in {sup 193}Hg, no such mechanism was available to explain the situation in the even-even nucleus {sup 190}Hg, whose yrast SD band has no signature partner. The best explanation appears to lie in long-standing theoretical predictions that the SD minimum in the potential energy surface would be quite soft with respect to octupole vibrations. This would lead to enhanced E1 transitions connecting the one-phonon and zero-phonon states. The data and this interpretation were published. A shortcoming of the Gammasphere experiments was that they did not allow the definitive measurement of the energies of the gamma-ray transitions connecting the two bands, due to the very weak population of the excited band ({approximately}0.05% of the {sup 190}Hg channel) and also partly, we believed, to the angular distributions of the transitions, which were peaked near 90 degrees, where Gammasphere had few detectors.

Phonons in Solid Hydrogen and Deuterium Studied by Inelastic Coherent Neutron Scattering

DEFF Research Database (Denmark)

Nielsen, Mourits

1973-01-01

Phonon dispersion relations have been measured by coherent neutron scattering in solid para-hydrogen and ortho-deuterium. The phonon energies are found to be nearly equal in the two solids, the highest energy in each case lying close to 10 meV. The pressure and temperature dependence of the phonon...... energies have been measured in ortho-deuterium and the lattice change determined by neutron diffraction. When a pressure of 275 bar is applied, the phonon energies are increased by about 10%, and heating the crystal to near the melting point decreases them by about 7%. The densities of states, the specific...... heats, and the Debye temperatures have been deduced and found to be in agreement with the published experimental results. The Debye temperatures are 118 K for hydrogen and 114 K for deuterium. For hydrogen the Debye-Waller factor has been measured by incoherent neutron scattering and it corresponds...

Hydrodynamic phonon drift and second sound in a (20,20) single-wall carbon nanotube

International Nuclear Information System (INIS)

Lee, Sangyeop; Lindsay, Lucas

2017-01-01

Here, two hydrodynamic features of phonon transport, phonon drift and second sound, in a (20,20) single wall carbon nanotube (SWCNT) are discussed using lattice dynamics calculations employing an optimized Tersoff potential for atomic interactions. We formally derive a formula for the contribution of drift motion of phonons to total heat flux at steady state. It is found that the drift motion of phonons carry more than 70% and 90% of heat at 300 K and 100 K, respectively, indicating that phonon flow can be reasonably approximated as hydrodynamic if the SWCNT is long enough to avoid ballistic phonon transport. The dispersion relation of second sound is derived from the Peierls-Boltzmann transport equation with Callaway s scattering model and quantifies the speed of second sound and its relaxation. The speed of second sound is around 4000 m/s in a (20,20) SWCNT and the second sound can propagate more than 10 m in an isotopically pure (20,20) SWCNT for frequency around 1 GHz at 100 K.

Strong Carrier–Phonon Coupling in Lead Halide Perovskite Nanocrystals

Science.gov (United States)

2017-01-01

We highlight the importance of carrier–phonon coupling in inorganic lead halide perovskite nanocrystals. The low-temperature photoluminescence (PL) spectrum of CsPbBr3 has been investigated under a nonresonant and a nonstandard, quasi-resonant excitation scheme, and phonon replicas of the main PL band have been identified as due to the Fröhlich interaction. The energy of longitudinal optical (LO) phonons has been determined from the separation of the zero phonon band and phonon replicas. We reason that the observed LO phonon coupling can only be related to an orthorhombically distorted crystal structure of the perovskite nanocrystals. Additionally, the strength of carrier–phonon coupling has been characterized using the ratio between the intensities of the first phonon replica and the zero-phonon band. PL emission from localized versus delocalized carriers has been identified as the source of the observed discrepancies between the LO phonon energy and phonon coupling strength under quasi-resonant and nonresonant excitation conditions, respectively. PMID:29019652

Dispersion Relation for Skeletal Vibrations in Deuterated Polyethylene

Energy Technology Data Exchange (ETDEWEB)

Feldkamp, L. A.; Venkataraman, G.; King, J. S. [Department of Nuclear Engineering, University of Michigan, Ann Arbor, MI (United States)

1968-09-15

The low frequency vibrations in polyethylene have been studied previously, utilizing the incoherent scattering technique which yields an amplitude-weighted density of states. In the present work the dispersion relations have been obtained directly by observing the coherent scattering from a deuterated sample. This represents the first such measurement on a crystalline polymer. A target in which the molecular chain axes were approximately parallel was prepared by stretching polycrystalline material. The FWHM of the rocking curve for the (002) reflection was measured to be 9 Degree-Sign . Constant-Q and constant-E scans were made on the University of Michigan triple-axis spectrometer at room temperature to observe phonons propagating along the chain direction. The resulting dispersion curve for the v{sub 5} mode follows generally the calculated curve of Tasumi and Krimm with systematically lower frequencies. The maximum frequency of 1.36 x 10{sup 13} Hz agrees with the cut-off frequency determined previously from the incoherent scattering spectrum. (author)

Time-domain vibrational study on defects in ion-irradiated crystal

International Nuclear Information System (INIS)

Kitajima, M.

2003-01-01

We have studied the effects of point defects on coherent phonons in ion-implanted bismuth and graphite. Ultrafast dynamics of coherent phonons and photo-generated carriers in the femtosecond time-domain have been investigated by means of pump-probe reflectivity measurements. Point defects are introduced by irradiating graphite with 5 keV He + ions. For Bi the dephasing rate of the A 1g phonon increases linearly with increasing ion dose, which is explained by the additional dephasing process of the coherent phonon originated from scattering of phonons by the defects. For graphite, introduction of the defects enhances the carrier relaxation by opening a decay channel via vacancy-states, which competes efficiently with carrier-phonon scattering. The coherent acoustic phonon relaxation is also accelerated due to an additional scattering by defects. The linear fluence-dependence of the decay rate is understood as scattering of propagating acoustic phonon by single vacancies. (author)

Non-equilibrium phonon generation and detection in microstructure devices

KAUST Repository

Hertzberg, J. B.; Otelaja, O. O.; Yoshida, N. J.; Robinson, R. D.

2011-01-01

We demonstrate a method to excite locally a controllable, non-thermal distribution of acoustic phonon modes ranging from 0 to ∼200 GHz in a silicon microstructure, by decay of excited quasiparticle states in an attached superconducting tunnel

Anharmonic phonons and second-order phase-transitions by the stochastic self-consistent harmonic approximation

Science.gov (United States)

Mauri, Francesco

Anharmonic effects can generally be treated within perturbation theory. Such an approach breaks down when the harmonic solution is dynamically unstable or when the anharmonic corrections of the phonon energies are larger than the harmonic frequencies themselves. This situation occurs near lattice-related second-order phase-transitions such as charge-density-wave (CDW) or ferroelectric instabilities or in H-containing materials, where the large zero-point motion of the protons results in a violation of the harmonic approximation. Interestingly, even in these cases, phonons can be observed, measured, and used to model transport properties. In order to treat such cases, we developed a stochastic implementation of the self-consistent harmonic approximation valid to treat anharmonicity in the nonperturbative regime and to obtain, from first-principles, the structural, thermodynamic and vibrational properties of strongly anharmonic systems. I will present applications to the ferroelectric transitions in SnTe, to the CWD transitions in NbS2 and NbSe2 (in bulk and monolayer) and to the hydrogen-bond symmetrization transition in the superconducting hydrogen sulfide system, that exhibits the highest Tc reported for any superconductor so far. In all cases we are able to predict the transition temperature (pressure) and the evolution of phonons with temperature (pressure). This project has received funding from the European Union's Horizon 2020 research and innovation programme under Grant agreement No. 696656 GrapheneCore1.

Lattice vibrations and thermal properties of carbon nitride with defect ZnS structure from first-principles calculations

NARCIS (Netherlands)

Fang, C.M.; Wijs, G.A. de

2004-01-01

The phonon spectrum Of C3N4 with defect zincblende-type structure (deltaC(3)N(4)) was calculated by density functional theory (DFT) techniques. The results permit an assessment of important mechanical and thermodynamical properties such as the bulk modulus, lattice specific heat, vibration energy,

Electron-phonon heat exchange in quasi-two-dimensional nanolayers

Science.gov (United States)

Anghel, Dragos-Victor; Cojocaru, Sergiu

2017-12-01

We study the heat power P transferred between electrons and phonons in thin metallic films deposited on free-standing dielectric membranes. The temperature range is typically below 1 K, such that the wavelengths of the excited phonon modes in the system is large enough so that the picture of a quasi-two-dimensional phonon gas is applicable. Moreover, due to the quantization of the components of the electron wavevectors perpendicular to the metal film's surface, the electrons spectrum forms also quasi two-dimensional sub-bands, as in a quantum well (QW). We describe in detail the contribution to the electron-phonon energy exchange of different electron scattering channels, as well as of different types of phonon modes. We find that heat flux oscillates strongly with thickness of the film d while having a much smoother variation with temperature (Te for the electrons temperature and Tph for the phonons temperature), so that one obtains a ridge-like landscape in the two coordinates, (d, Te) or (d, Tph), with crests and valleys aligned roughly parallel to the temperature axis. For the valley regions we find P ∝ Te3.5 - Tph3.5. From valley to crest, P increases by more than one order of magnitude and on the crests P cannot be represented by a simple power law. The strong dependence of P on d is indicative of the formation of the QW state and can be useful in controlling the heat transfer between electrons and crystal lattice in nano-electronic devices. Nevertheless, due to the small value of the Fermi wavelength in metals, the surface imperfections of the metallic films can reduce the magnitude of the oscillations of P vs. d, so this effect might be easier to observe experimentally in doped semiconductors.

Vibrational states in deformed nuclei. Chaos, order and individual nature of nuclei

International Nuclear Information System (INIS)

Soloviev, V.G.

1993-01-01

General properties of the vibrational states in doubly-even well-deformed are formulated. The large many-quasiparticle components of the wave functions of the neutron resonance state are responsible for enhance E1- and M1-transitions rates from the neutron resonances states to the levels lying 1-2 MeV below them. 44 refs.; 4 tabs

Experimental determination of the phonon state density in the bulk and finely dispersed polycrystalline Fe1-xO

International Nuclear Information System (INIS)

Bulat, I.A.; Pashkovskij, Yu.L.; Semencheva, O.P.

1990-01-01

Density of phonon states, that is, g(ε) of polycrystalline Fe 1-x O at x=0.08 and intermediate crystallites equl to 100 and smaller, than 1μm is measured using inelastic scattering of cold neutrons at E 0 =4.43 MeV and T=293 K. Technique of separation of contributions of neutron lattice and magnetic scattering at transitions of Fe 2+ ion orbital moment which is incompletely frozen was used for measurements. Additional peculiarities of E(ε) at low energy values and density of finely dispersed powder states which is essentially suppressed, within optical frequency range are explained by presence of vacancies and defect clusters

Mutual interactions of phonons, rotons, and gravity

Science.gov (United States)

Nicolis, Alberto; Penco, Riccardo

2018-04-01

We introduce an effective point-particle action for generic particles living in a zero-temperature superfluid. This action describes the motion of the particles in the medium at equilibrium as well as their couplings to sound waves and generic fluid flows. While we place the emphasis on elementary excitations such as phonons and rotons, our formalism applies also to macroscopic objects such as vortex rings and rigid bodies interacting with long-wavelength fluid modes. Within our approach, we reproduce phonon decay and phonon-phonon scattering as predicted using a purely field-theoretic description of phonons. We also correct classic results by Landau and Khalatnikov on roton-phonon scattering. Finally, we discuss how phonons and rotons couple to gravity, and show that the former tend to float while the latter tend to sink but with rather peculiar trajectories. Our formalism can be easily extended to include (general) relativistic effects and couplings to additional matter fields. As such, it can be relevant in contexts as diverse as neutron star physics and light dark matter detection.

Antibonding intermediate state in the theory of vibrational excitation of diatomic molecules by slow electrons

International Nuclear Information System (INIS)

Kazanskii, A.K.

1982-01-01

An exactly solvable model is constructed for the description of the processes that take place when a slow electron collides with a diatomic molecule (vibrational excitation, associative detachment, and dissociative attachment). As a particular model of the variant, the case of an antibonding (virtual) state of an intermediate state is considered, and a term of this state is parametrized in a very simple manner. The vibrational excitation and dissociative attachment are calculated for a system corresponding to the HCl molecule. The results are in good qualitative agreement with experiment

Generation of three-mode nonclassical vibrational states of ions

International Nuclear Information System (INIS)

Nguyen Ba An; Truong Minh Duc

2002-01-01

We propose using eight lasers with appropriate orientations and conditions to generate stable trio coherent states of an ion in a three-dimensional isotropic trap. Seven lasers whose orientations are important should be detuned to the third lower sideband of the ion vibrational motion. The eighth laser whose direction is not important should be in resonance with the ionic transition

Room-temperature voltage tunable phonon thermal conductivity via reconfigurable interfaces in ferroelectric thin films.

Science.gov (United States)

Ihlefeld, Jon F; Foley, Brian M; Scrymgeour, David A; Michael, Joseph R; McKenzie, Bonnie B; Medlin, Douglas L; Wallace, Margeaux; Trolier-McKinstry, Susan; Hopkins, Patrick E

2015-03-11

Dynamic control of thermal transport in solid-state systems is a transformative capability with the promise to propel technologies including phononic logic, thermal management, and energy harvesting. A solid-state solution to rapidly manipulate phonons has escaped the scientific community. We demonstrate active and reversible tuning of thermal conductivity by manipulating the nanoscale ferroelastic domain structure of a Pb(Zr0.3Ti0.7)O3 film with applied electric fields. With subsecond response times, the room-temperature thermal conductivity was modulated by 11%.