574 citations · 1.3k across the 24 of their papers we have counts for
24 papers
Strain-induced Giant Second-harmonic Generation in Monolayered -MoX (X=S,Se,Te)
S. H. Rhim, Yong Soo Kim, A. J. Freeman
Dynamic second-order nonlinear susceptibilities, , are calculated here within a fully first-principles scheme for monolayered molybdenum dichalcog…
Search and design of nonmagnetic centrosymmetric layered crystals with large local spin polarization
Qihang Liu, Xiuwen Zhang, Hosub Jin +4
Until recently, spin-polarization in nonmagnetic materials was the exclusive territory of non- centrosymmetric structures. It was recently shown that a form of hidden spin polariza…
Hidden spin polarization in inversion-symmetric bulk crystals
Xiuwen Zhang, Qihang Liu, Jun-Wei Luo +2
Spin-orbit coupling (SOC) can induce spin polarization in nonmagnetic 3D crystals when the inversion symmetry is broken, as manifested by the bulk Rashba (R-1) and Dresselhaus (D-1…
Electronic Structure and Properties of SrAlGe and BaAlGe
S. J. Youn, A. J. Freeman
The electronic structures of BaAlGe and SrAlGe which are superconductors with hexagonal honeycomb layers have been studied by using a first principles method. Energy bands, Fermi s…
Ab initio prediction of pressure-induced structural phase transition of superconducting FeSe
Gul Rahman, In Gee Kim, Arthur J. Freeman
External pressure driven phase transitions of FeSe are predicted using \textit{ab initio} calculations. The calculations reveal that -FeSe takes transitions to NiAs-type, MnP-ty…
New Candidates for Topological Insulators : Pb-based chalcogenide series
Hosub Jin, Jung-Hwan Song, Arthur J. Freeman +1
Here, we theoretically predict that the series of Pb-based layered chalcogenides, PbBiSe and PbSbTe, are possible new candidates for topological ins…