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cond-mat.mtrl-sci2014
Elastic and magnetic properties of cubic FeC from first-principles
Gul Rahman, Haseen Ullah Jan
First-principles based on density functional theory is used to study the phase stability, elastic, magnetic, and electronic properties of cubic (c)-FeC. Our results show that c…
cond-mat.mtrl-sci2014★ 6 cited
Spin-polarized surface state in Li-doped SnO(001)
Naseem Ud Din, Gul Rahman
Using LDA+, we investigate Li-doped rutile SnO(001) surface. The surface defect formation energy shows that it is easier for Li to be doped at surface Sn site than bulk Sn s…