Ab initio simulation of a tensile test in MoSi2 and WSi2

The tensile test in transition metal disilicides with C11b structure is simulated by ab initio electronic structure calculations using full potential linearized augmented plane wave method (FLAPW). Full relaxation of both external and internal parameters is performed. The theoretical tensile strength of MoSi2 and WSi2 for [001] loading is determined and compared with those of other materials.