中国物理B ›› 2007, Vol. 16 ›› Issue (1): 217-222.doi: 10.1088/1009-1963/16/1/037
郝彦军1, 程艳1, 王艳菊1, 陈向荣2
Hao Yan-Jun(郝彦军)a), Cheng Yan(程艳)a)†, Wang Yan-Ju(王艳菊)a), and Chen Xiang-Rong(陈向荣)a)b)
摘要: The elastic constants and thermodynamic properties of c-BN are calculated using the first-principles plane wave method with the relativistic analytic pseudopotential of the Hartwigen, Goedecker and Hutter (HGH) type in the frame of local density approximation and using the quasi-harmonic Debye model, separately. Moreover, the dependences of the normalized volume V/V0 on pressure P, as well as the bulk modulus B, the thermal expansion α, and the heat capacity CV on pressure P and temperature T are also successfully obtained.
中图分类号: (Elasticity)