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cond-mat.mtrl-sci2014
Spin Spirals in Surface Alloys on Ru(0001): A First-principles Study
Sananda Biswas, Gustav Bihlmayer, Shobhana Narasimhan +1
We have used ab initio density functional theory to compute the magnetic ground states of the surface alloy systems FeAu/Ru(0001) and MnAu/Ru(0001). For both systems, we fi…
cond-mat.mtrl-sci2014★ 30 cited
Point Defects in Twisted Bilayer Graphene: A Density Functional Theory Study
Kanchan Ulman, Shobhana Narasimhan
We have used ab initio density functional theory, incorporating van der Waals corrections, to study twisted bilayer graphene (TBLG) where Stone-Wales defects or monovacancies are i…