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Debye model
About: Debye model is a research topic. Over the lifetime, 7462 publications have been published within this topic receiving 133987 citations.
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TL;DR: In this article, the frequency-wave-vector dispersion relation for the normal modes of vibration of terbium at room temperature has been measured by means of slow-neutron inelastic scattering techniques.
Abstract: The frequency-wave-vector dispersion relation for the normal modes of vibration of terbium at room temperature has been measured by means of slow-neutron inelastic scattering techniques. The triple-axis spectrometer at the Oak Ridge high flux isotope reactor was used, mostly in the constant-$Q$ mode of operation. Phonon frequencies for wave vectors along the principal symmetry directions have been determined and, in addition, measurements of phonon frequencies along the boundaries of the Brillouin zone and along a more general direction are reported. The data have been fitted with a Born-von K\'arm\'an force model which includes interactions out to the eighth nearest neighbor. The interactions have been assumed to be general (tensor) out to the fourth neighbor and axially symmetric beyond. The model has been used to calculate a frequency distribution function $g(\ensuremath{
u})$ and related quantities such as the lattice specific heat and Debye temperature.
48 citations
TL;DR: In this article, the frequency-wave-vector dispersion relation for the normal modes of vibration of terbium at room temperature has been measured by means of slow-neutron inelastic scattering techniques.
Abstract: The frequency-wave-vector dispersion relation for the normal modes of vibration of terbium at room temperature has been measured by means of slow-neutron inelastic scattering techniques. The triple-axis spectrometer at the Oak Ridge high flux isotope reactor was used, mostly in the constant-$Q$ mode of operation. Phonon frequencies for wave vectors along the principal symmetry directions have been determined and, in addition, measurements of phonon frequencies along the boundaries of the Brillouin zone and along a more general direction are reported. The data have been fitted with a Born-von K\'arm\'an force model which includes interactions out to the eighth nearest neighbor. The interactions have been assumed to be general (tensor) out to the fourth neighbor and axially symmetric beyond. The model has been used to calculate a frequency distribution function $g(\ensuremath{
u})$ and related quantities such as the lattice specific heat and Debye temperature.
48 citations
TL;DR: In this article, the structural, electronic and elastic properties of polycrystalline M2SC aggregates were analyzed using ab initio calculations, and the elastic constants were calculated using the static finite strain technique.
48 citations
TL;DR: In this article, a molecular dynamics simulation of structural and thermodynamic properties of the hypothetical IV-IV compound GeC in the zinc-blende structure is performed with the use of the well-tested Tersoff potential.
Abstract: We present in this paper a molecular dynamics simulation of structural and thermodynamic properties of the hypothetical IV-IV compound GeC in the zinc-blende structure. This study is performed with the use of the well-tested Tersoff potential. Various physical quantities including elastic constants, Debye temperature, thermal expansion coefficient, heat capacity, and Gruneisen parameter are predicted. The comparison with the corresponding results for SiC is also discussed.
48 citations
TL;DR: In this article, structural, morphological, magnetic, and thermal properties have been investigated for a novel post-perovskite oxide CaPtO3 synthesized under high pressure.
Abstract: Structural, morphological, magnetic, and thermal properties have been investigated for a novel post-perovskite oxide CaPtO3 synthesized under high pressure. By comparing obtained structural parameters with those for known post-perovskite compounds, we argue that the chemical bond has a strong covalent character. Precise measurements of the Langevin susceptibility χ
0
= −9.6 × 10−5 emu/mol and Debye temperature θ ∼ 470 K provide a good opportunity to confirm the reliability of first-principle calculations on predicting physical properties of the Earth’s D” layer.
48 citations