Vaithinathan Karthikeyan

2 Questions 2 Answers 0 Followers

Questions related from Vaithinathan Karthikeyan

How does the material studio calculate the occupancy in the crystal lattice?

A Zn 0.07915 0.24483 0.40273 267.99454 Uiso 0.90B Zn 0.17820 0.43400 0.030001 253.00110 Uiso 0.07C Zn 0.23910 0.45530 0.20930 316.99600 Uiso 0.07D Zn...

06 October 2016 9,694 1 View

Defect formation energy for Ce doped Zn4Sb3 ?

I like to use PyDII for defect density calculation using VASP, In my case we like to study the defect formation energy of Zn4Sb3 and Ce doped Zn4Sb3, since we believe doping induced defects...

01 January 1970 3,368 2 View