94 citations · 171 across the 3 of their papers we have counts for
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Thermodynamic Evidence of Proximity to a Kitaev Spin-Liquid in AgLiIrO
Faranak Bahrami, William Lafargue-Dit-Hauret, Oleg I. Lebedev +5
Kitaev magnets are materials with bond-dependent Ising interactions between localized spins on a honeycomb lattice. Such interactions could lead to a quantum spin-liquid (QSL) grou…
Electronic properties of Pb-I deficient lead halide perovskites
Chao Zheng, Oleg Rubel, Mikaël Kepenekian +2
The electronic structure evolution of deficient halide perovskites with a general formula was investigated using the density functional theory. The foc…
Nonlocal van der Waals functionals for solids: Choosing an appropriate one
Fabien Tran, Leila Kalantari, Boubacar Traoré +2
The nonlocal van der Waals (NL-vdW) functionals [Dion et al., Phys. Rev. Lett. 92, 246401 (2004)] are being applied more and more frequently in solid-state physics, since they have…
Absolute Reference Energy to Realign the Band-edges of Inorganic Semiconductors Using First-principles Calculations
Tilak Das, Xavier Rocquefelte, Stèphane Jobic
The challenge of finding an absolute reference energy from first-principles simulations to realigning semiconductor's valence band-top and conduction band-bottom, a theoretical met…