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Thermodynamic Properties of Cubic Boron Nitride Under High Pressure from Ab Initio Calculations by Yun-Dong Guo; Xiao-Shu Song; Xi-Bo Li; Xiang-Dong Yang is a scholarly article available to read on EtoBox.

What is Thermodynamic Properties of Cubic Boron Nitride Under High Pressure from Ab Initio Calculations about?

The equations of state (EOS) and other thermodynamic properties of cubic boron nitride (C-BN) have been studied by the first-principles method under high pressure. Under ambient conditions, our results are consistent with the available experimental data and those calculated by others. At the same time, the dependences of Young's modulus and the shear modulus of C-BN on pressure P are successfully obtained. Moreover, the variation of the Poisson ratio, Debye temperature, specific heat, and thermal expansion coefficient with pressure P up to 200 GPa at 300 K have been investigated for the first time by means of a quasi-harmonic Debye model, in which phononic effects are considered.

Author

Yun-Dong Guo; Xiao-Shu Song; Xi-Bo Li; Xiang-Dong Yang

Publisher

Elsevier Science; Elsevier ; Elsevier BV (ISSN 0038-1098)

Published

2007

Language

EN