Pseudopotential method;
Si1-xGex solid solutions;
the pseudo-alloy atom model;
elastic constants;
pressure derivatives of elastic constants;
D O I:
10.1063/1.4791411
中图分类号:
O59 [应用物理学];
学科分类号:
摘要:
Elastic properties of Si1-xGex solid solution with arbitrary (atomic) concentration (x) are studied using the pseudo-alloy atom model based on the pseudopotential theory and on the higher-order perturbation scheme with the application of our own proposed model potential. We have used local-field correction function proposed by Sarkar et al to study Si-Ge system. The Elastic constants and pressure derivatives of elastic constants of the solid solution is investigated with different concentration x of Ge. It is found in the present study that the calculated numerical values of the aforesaid physical properties of Si-Ge system are function of x. The elastic constants (C-11, C-12 and C-44) decrease linearly with increase in concentration x and pressure derivative of elastic constants (C-11', C-12' and C-44') increase with the concentration x of Ge. This study provides better set of theoretical results for such solid solution for further comparison either with theoretical or experimental results.