28 citations · 33 across the 4 of their papers we have counts for
3 papers · 1 filter
\textit{In-situ} pseudopotentials for electronic structure theory
K. Björnson, J. M. Wills, M. Alouani +4
We present a general method of constructing \textit{in-situ} pseodopotentials from first principles, all-electron, full-potential electronic structure calculations of a solid. The…
Dynamics of Symmetry-Breaking Stacking Boundaries in Bilayer MoS2
Aiming Yan, Chin Shen Ong, Diana Yuan Qiu +5
Crystal symmetry of two-dimensional (2D) materials plays an important role in their electronic and optical properties. Engineering symmetry in 2D materials has recently emerged as…
Real-space study of the optical absorption in alternative phases of silicon
Chin Shen Ong, Sinisa Coh, Marvin L. Cohen +1
We introduce a real-space approach to understand the relationship between optical absorption and crystal structure. We apply this approach to alternative phases of silicon, with a…