Phonons and electron-phonon interactions in rare-gas crystals at high pressures

Troitskaya, E. P.; Chabanenko, V. V.; Horbenko, E. E.

doi:10.1134/s1063783407110236

Cited by 7 publications

(7 citation statements)

References 17 publications

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“…In the series of recent papers [36][37][38], we consid ered nonadiabatic effects, i.e., the electron-phonon interaction induced by the deformation of electron shells of the atoms in the dipole approximation. This corresponds to the inclusion of the lower order terms in the nonadiabaticity parameter.…”

Section: Discussionmentioning

confidence: 99%

Quadrupole deformation of electron shells in the lattice dynamics of compressed rare-gas crystals

et al. 2012

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The lattice dynamics of rare gas crystals has been constructed taking into account the deforma tion of electron shells of the atoms of the dipole and quadrupole types, depending on the displacement of the nuclei. The obtained equations of lattice vibrations have been investigated in the long wavelength approxi mation. The role played by the three body interaction and the deformation of the electron shells in the vio lation of the Cauchy relation has been discussed. The calculated Birch elastic moduli for Xe and deviations from the Cauchy relation are in good agreement with the available experimental data over a wide range of pressures.

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Section: Discussionmentioning

confidence: 99%

Quadrupole deformation of electron shells in the lattice dynamics of compressed rare-gas crystals

et al. 2012

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“…In the series of recent papers [27][28][29] we considered nonadiabatic effects, i.e., the electron-phonon interaction induced by the deformation of electron shells of the atoms in the dipole approximation. This corresponds to the inclusion of the lower order terms in the nonadiabaticity parameter.…”

Section: Discussionmentioning

confidence: 99%

Elastic properties of compressed cryocrystals in a deformed atom model

Gorbenko

Zhikharev

Troitskaya

et al. 2013

Low Temperature Physics

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A model with deformed atom shells is built to investigate the elastic properties of rare-gas crystals Ne and Kr under high pressure. It is shown that the observed deviation from the Cauchy relation cannot be adequately reproduced with taking into account of only the many-body interaction. The individual pressure dependence of is a result of competition of the many-body interaction and the quadrupole interaction associated with the quadrupole-type deformation of electron shells of the atoms during the displacements of the nuclei. Each kind of interaction makes a strongly pressure dependent contribution to . In the case of Ne and Kr, contributions of these interactions are compensated to the good precision, providing being almost constant against pressure.

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“…After substituting u l = u 0 exp(-iωt + iKr l ), the Fourier component of this force takes the form (27) where (28) We note that μ(k) and τ xx , τ xy for k 0 decrease as k 2 . Therefore, we have F λ ~ k 4 , and the corresponding terms do not contribute to the elastic constants.…”

Section: Three Body Forces Generated By the Mutual Deformation Of Thementioning

confidence: 99%

“…[26][27][28], where the deformation of the electron shells is taken into account but without inclusion of the three body forces. It can be seen that, for Ar, Kr, and Xe, the results of these calculations are close to those of the calculations carried out in the MT 1 model.…”

Section: Calculation Of the Phonon Frequencies With The Inclusion Of mentioning

confidence: 99%

“…In the series of studies [26][27][28], the phonon disper sion curves for rare gas crystals in the series Ne-Xe under pressure were investigated in the framework of the Tolpygo model, which explicitly takes into account the deformation of electron shells in the dipole approximation based on the ab initio repulsive pair potential. In [29][30][31][32], it was shown that the inclusion of the many body interaction and the deformation of the electron shells of atoms in the analysis is important for the adequate description of the elastic properties of rare gas crystals under pressure.…”

Section: Introductionmentioning

confidence: 99%

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Ab initio theory of many-body interaction and phonon frequencies of rare-gas crystals under pressure in the model of deformable atoms

et al. 2015

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Ab initio calculations of phonon frequencies of compressed rare gas crystals have been performed taking into account the many body interaction in the model of deformable atoms. In the short range repul sive potential, along with the previously considered three body interaction associated with the overlap of the electron shells of atoms, the three body forces generated by the mutual deformation of the electron shells of the nearest neighbor atoms have been investigated in the dipole approximation. The relevant forces make no contribution to the elastic moduli but affect the equation for lattice vibrations. At high compressions, the soft ening of the longitudinal mode at the points L and X is observed for all the rare gas crystals, whereas the trans verse mode T 1 is softened in the direction Σ and at the point L for solid xenon. This effect is enhanced by the three body forces. There is a good agreement between the theoretical phonon frequencies and the experi mental values at zero pressure.

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Phonons and electron-phonon interactions in rare-gas crystals at high pressures

Cited by 7 publications

References 17 publications

Quadrupole deformation of electron shells in the lattice dynamics of compressed rare-gas crystals

Quadrupole deformation of electron shells in the lattice dynamics of compressed rare-gas crystals

Elastic properties of compressed cryocrystals in a deformed atom model

Ab initio theory of many-body interaction and phonon frequencies of rare-gas crystals under pressure in the model of deformable atoms

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