The vacancy defects and oxygen atoms occupation effects on mechanical and electronic properties of Mo5Si3 silicides
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The vacancy defects and oxygen atoms occupation effects on mechanical and electronic properties of Mo5Si3 silicides |
| Jiaying Chen,Xudong Zhang,Linmei Yang,Feng Wang |
| Figure 5. The difference charge density contour plots of Mo5Si3 with four different vacancies and four different oxygen occupancy models along the (110) plane. (a) Mo–Va1, (b) Mo–Va2, (c) Si–Va1 and (d) Si–Va2, (f) O–Mo1, (g) O–Mo2, (h) O–Si1, (i) O–Si2, respectively. |
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