论文部分内容阅读
The elastic properties of the wurtzite-type aluminum nitride (w-A1N) are investigated by ab initio plane-wave pseudopotential density functional theory method.The pressure dependences of the normalized primitive cellvolume V/V_0,the elastic constants c_(ij),the aggregate elastic modulus (B,G,E),the Poisson’s ratio (v),and the Debyetemperature ■_D are successfully obtained.From the elastic constants of the w-AlN under pressure,we find that thew-AlN should be unstable at higher pressure than 61.33 GPa.
The elastic properties of the wurtzite-type aluminum nitride (w-A1N) are investigated by ab initio plane-wave pseudopotential density functional theory method. The pressure dependences of the normalized primitive cell volume V / V_0, the elastic constants c_ (ij), the aggregate elastic modulus (B, G, E), the Poisson’s ratio (v), and the Debyetemperature ■ _D are successfully obtained. From the elastic constants of the w-AlN under pressure, we find that thew-AlN be be unstable at higher pressure than 61.33 GPa.