Topic
Debye model
About: Debye model is a research topic. Over the lifetime, 7462 publications have been published within this topic receiving 133987 citations.
Papers published on a yearly basis
Papers
More filters
TL;DR: In this article, the elastic properties of Ni2MnGa in both austenitic and martensitic structures were determined by using ab initio methods based on density functional theory (DFT) within the spin-polarized generalized gradient approximation.
93 citations
TL;DR: In this paper, structural parameters, elastic stiffness, electronic, bonding and optical properties of four 211 MAX phases compounds, namely, Ti 2 SnC, Zr 2 Snc, Hf 2 SnCs, and Nb 2 Sncs, were investigated using density functional theory (DFT).
93 citations
TL;DR: Evidence is presented that the lattice vibrations of compacted C60/C70 fullerite microcrystals consist predominantly of localized modes, and the Einstein model of the specific heat and thermal conductivity of solids is in much better agreement with the measurements than the Debye model, which is based on collective excitations.
Abstract: The first model for lattice vibrations of solids was proposed in 1907 by Einstein who applied the quantum concept to the mechanical motion of individual atoms in a crystal lattice which he assumed to be vibrating with random phases.1 He subsequently found that this model was inadequate, its major shortcoming being that it led to a thermal conductivity which disagreed with the observation on crystals both in magnitude and temperature dependence.2 This disagreement was removed by Debye3 and by Born and von Karman4 who demonstrated that in crystalline solids the atoms vibrate collectively as elastic waves.
93 citations
TL;DR: In this paper, the lattice parameters, elastic constants, bulk modulus and its pressure derivative of c-BN are calculated using a first-principles plane wave method with the relativistic analytic pseudopotential of the Hartwigen, Goedecker and Hutter (HGH) type and the pseudotype of Troullier Martins (TM)-type in the frame of local density approximation.
Abstract: The lattice parameters, elastic constants, bulk modulus and its pressure derivative of c-BN are calculated using a first-principles plane wave method with the relativistic analytic pseudopotential of the Hartwigen, Goedecker and Hutter (HGH)-type and the pseudopotential of Troullier Martins (TM)-type in the frame of local density approximation, and the dependences of bulk modulus on temperature and on pressure are investigated by the quasi-harmonic Debye model. The Debye temperature and the thermal expansion coefficient of c-BN are also calculated. The results obtained are well consistent with the available experimental data and other theoretical results. At zero pressure, the thermal expansion coefficients are about 6.0 x 10(-6) K-1 at T = 1724 K and 6.5 x 10(-6) K-1 at T = 1972 K, respectively, consistent with the experimental data. (c) 2006 Elsevier B.V. All rights reserved.
93 citations
TL;DR: In this paper, various shapes of flaw-free bulk titanium hydride were fabricated and various mechanical properties were obtained, including the debye temperature of the hydrides and the lattice parameters.
92 citations