89 citations · 176 across the 3 of their papers we have counts for
7 papers
Disorder-Induced Weyl Semimetal Phase and Sequential Band Inversions in PbSe-SnSe Alloys
Zhi Wang, Qihang Liu, Alex Zunger
The search for topological systems has recently broadened to include random substitutional alloys, which lack the specific crystalline symmetries that protect topological phases, r…
Uncovering and tailoring hidden Rashba spin-orbit splitting in centrosymmetric crystals
Linding Yuan, Qihang Liu, Xiuwen Zhang +3
Hidden Rashba and Dresselhaus spin-splittings in centrosymmetric crystals with subunits (sectors) having non-centrosymmetric symmetries (the R-2 and D-2 effects) have been predicte…
Anti-doping in Insulators and Semiconductors having Intermediate Bands with Trapped Carriers
Qihang Liu, Gustavo M. Dalpian, Alex Zunger
Ordinary doping by electrons (holes) generally means that the Fermi level shifts towards the conduction band (valence band) and that the conductivity of free carriers increases. Re…
Bond disproportionation, charge self-regulation and ligand holes in s-p and in d electron ABX3 perovskites by density functional theory
Gustavo Martini Dalpian, Qihang Liu, Julien Varignon +2
Some ABX3 perovskites exhibit different local environments (DLE) for the same B atoms in the lattice, an effect referred to as disproportionation, distinguishing such compounds fro…
Electron doping of proposed quantum spin liquid kagomé Zn-Cu hydroxyl-halides produces localized states in the band gap
Qihang Liu, Qiushi Yao, Z. A. Kelly +4
Carrier doping of quantum spin liquids is a long-proposed route to the emergence of high-temperature superconductivity. Electrochemical intercalation in kagome hydroxyl-halide mate…
Changes in charge density vs changes in formal oxidation states: The case of Sn halide perovskites and their ordered vacancy analogues
Gustavo M. Dalpian, Qihang Liu, Constantinos C. Stoumpos +4
Shifting the Fermi energy in solids by doping, defect formation or gating generally results in changes in the charge density distribution, which reflect the ability of the bonding…