574 citations · 1.7k across the 18 of their papers we have counts for
17 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…
The enabling electronic motif for topological insulation in ABO3 perovskites and its structural stability
Xiuwen Zhang, Leonardo B. Abdalla, Qihang Liu +1
Stable oxide topological insulators (TIs) that could bring together the traditional oxide functionalities with the dissipationless surface states of TIs have been sought for years…
Predicted Realization of Cubic Dirac Fermion in Quasi-One-Dimensional Transition-Metal MonoChalcogenides
Qihang Liu, Alex Zunger
We show that the previously predicted Fermion particle that has no analogue in the standard model of particle theory - the cubically dispersed Dirac semimetal (CDSM) - is realized…
Minimal Ingredients for Orbital Texture Switches at Dirac Points in Strong Spin-Orbit Coupled Materials
J. A. Waugh, T. Nummy, S. Parham +4
Recent angle resolved photoemission spectroscopy measurements on strong spin-orbit coupled materials have shown an in-plane orbital texture switch at their respective Dirac points,…
Orbital mapping of energy bands and the truncated spin polarization in three-dimensional Rashba semiconductors
Qihang Liu, Xiuwen Zhang, J. A. Waugh +2
Associated with spin-orbit coupling (SOC) and inversion symmetry breaking, Rashba spin polarization opens a new avenue for spintronic applications that was previously limited to or…
Predicted electronic markers for polytypes of LaOBiS2 examined via angular resolved photoemission spectroscopy
Xiaoqing Zhou, Qihang Liu, J. A. Waugh +7
The natural periodic stacking of symmetry-inequivalent planes in layered compounds can lead to the formation of natural superlattices; albeit close in total energy, (thus in their…
Transforming common III-V and II-VI semiconductor compounds into topological heterostructures: The case of CdTe/InSb superlattices
Qihang Liu, Xiuwen Zhang, L. B. Abdalla +1
Currently known topological insulators (TIs) are limited to narrow gap compounds incorporating heavy elements, thus severely limiting the material pool available for such applicati…
Polytypism in LaOBiS2-type compounds based on different three-dimensional stacking sequences of two-dimensional BiS2 layers
Qihang Liu, Xiuwen Zhang, Alex Zunger
LaOBiS2-type materials have drawn much attention recently because of various interesting physical properties, such as low-temperature superconductivity, hidden spin polarization, a…
Electric Field Induced Topological Phase Transition in Two-Dimensional Few-layer Black Phosphorus
Qihang Liu, Xiuwen Zhang, L. B. Abdalla +2
Phosphorene is a novel two-dimensional material that can be isolated through mechanical exfoliation from layered black phosphorus, but unlike graphene and silicene, monolayer phosp…
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…
Intrinsic circular polarization in centrosymmetric stacks of transition-metal dichalcogenides
Qihang Liu, Xiuwen Zhang, Alex Zunger
The circular polarization (CP) that the photoluminescence inherits from the excitation source in n monolayers of transition-metal dichalcogenides (MX2)n has been previously explain…
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…