کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1553457 | 1513234 | 2014 | 9 صفحه PDF | دانلود رایگان |
![عکس صفحه اول مقاله: Structural parameters, elastic properties and piezoelectric constants of wurtzite ZnS and ZnSe under pressure Structural parameters, elastic properties and piezoelectric constants of wurtzite ZnS and ZnSe under pressure](/preview/png/1553457.png)
• Structural parameters for wurtzite ZnS and ZnSe.
• Pressure dependence of elastic properties for wurtzite ZnS and ZnSe.
• Pressure dependence of piezoelectric constants for wurtzite ZnS and ZnSe.
The results of first-principles plane-wave-based pseudopotential method calculations of the structural, elastic and piezoelectric parameters are reported for wurtzite mono-chalcogenides ZnS and ZnSe. The elastic constants are calculated from a method based on total energy as a function of strain, whereas the piezoelectric constants are determined from the second mixed derivatives of total energy versus electric field and strain. Generally, a reasonable degree of agreement is obtained between our results and data available in the literature. The pressure dependence of the features of interest has been examined and discussed.
Journal: Superlattices and Microstructures - Volume 67, March 2014, Pages 88–96