574 citations · 2.2k across the 23 of their papers we have counts for
23 papers
Explore of exfoliable multifunctional high-k two-dimensional oxides
Yue Hu, Jingwen Jiang, Peng Zhang +5
As the continuing down-scaling of field-effect transistors (FETs) in more-than-Moore integrated circuits, finding new functional two-dimensional (2D) materials with a higher dielec…
Uncovering hidden spin polarization of energy bands in antiferromagnets
Lin-Ding Yuan, Xiuwen Zhang, Carlos Mera +1
Many textbook physical effects in crystals are enabled by some specific symmetries. In contrast to such "apparent effects", "hidden effect X" refers to the general condition where…
Ferri-chiral compounds with potentially switchable Dresselhaus spin split-ting
Pu Huang, Zhiguo Xia, Xiaoqing Gao +5
Spin splitting of energy bands can be induced by relativistic spin-orbit interactions in materials without inversion symmetry. Whereas polar space group symmetries permit Rashba (R…
Two-dimensional Topological Semimetals Protected by Symmorphic Symmetries
Wei Luo, Junyi Ji, Jinlian Lu +2
Two-dimensional (2D) band crossing semimetals (BCSMs) could be used to build a range of novel nanoscale devices such as superlenses and transistors. We find that symmorphic symmetr…
Electric field modulation on negative Poisson's ratio of Two-dimensional arsenic and antimony monolayers by first-principles calculation
Ximing Rong, Xinbo Chen, Weida Chen +1
We have introduced the auxetic effect in MBP-analog Sb for the first time, and achieve NPR modulations on monolayer As and Sb via first-principles calculation. Comparing with As, t…
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…
Insights into the Unusual Semiconducting Behavior in Low-Dimensional Boron
Shao-Gang Xu, Xiao-Tian Li, Yu-Jun Zhao +5
Elementary semiconductors are rare and attractive, especially for low-dimensional materials. Unfortunately, most of boron nanostructures were found to be metallic, despite of their…
Topological insulators vs. topological Dirac semimetals in honeycomb compounds
Xiuwen Zhang, Qihang Liu, Qiunan Xu +2
Intriguing physical property of materials stems from their chemical constituent whereas the connection between them is often not clear. Here, we uncover a general chemical classifi…
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…
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…
Synthesis of a mixed-valent tin nitride and considerations of its possible crystal structures
Christopher M. Caskey, Aaron Holder, Sarah Shulda +20
Recent advances in theoretical structure prediction methods and high-throughput computational techniques are revolutionizing experimental discovery of the thermodynamically stable…
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…
Intrinsic transparent conductors without doping
Xiuwen Zhang, Lijun Zhang, John D. Perkins +1
Transparent conductors (TC's) combine the usually contraindicated properties of electrical conductivity with optical transparency and are generally made by starting with a transpar…
Prediction and accelerated laboratory discovery of previously unknown 18-electron ABX compounds
Romain Gautier, Xiuwen Zhang, Linhua Hu +6
Chemists and material scientists have often focused on the properties of previously reported compounds, leaving out numerous unreported but chemically plausible compounds that coul…
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…
Design and discovery of a novel Half-Heusler transparent hole conductor made of all-metallic heavy elements
Feng Yan, Xiuwen Zhang, Yonggang Yu +4
Metallic conductors that are optically transparent represent a rare breed of generally contraindicated physical properties that are nevertheless critically needed for application w…
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…
False-positive and False-negative assignments of Topological Insulators in Density-Functional Theory and Hybrids
Julien Vidal, Xiuwen Zhang, Liping Yu +2
Density-functional Theory (DFT) approaches have recently been used to judge the topological order of various materials despite its well-known band gap underestimation. Use of the m…