Publications (31)
Hardness of T-carbon: Density functional theory calculations
Xing-Qiu Chen, Haiyang Niu, Cesare Franchini +2
Anisotropic Magnetic Couplings and Structure-Driven Canted to Collinear Transitions in Spin-orbit Coupled Sr2IrO4
Peitao Liu, Sergii Khmelevskyi, Bongjae Kim +6
Electron and hole doping in the relativistic Mott insulator Sr$_2$IrO$_4$: a first-principles study using band unfolding technique
Peitao Liu, Michele Reticcioli, Bongjae Kim +5
Computational Design of Flexible Electrides with Non-trivial Band Topology
Sheng-cai Zhu, Lei Wang, Jing-yu Qu +4
Coexisted Three-component Bosons and Two-component Weyl Bosons in TiS, ZrSe and HfTe
J. X. Li, Q. Xie, S. Ullah +5
Rock-salt SnS and SnSe: Native Topological Crystalline Insulators
Yan Sun, Zhicheng Zhong, Tomonori Shirakawa +5
Electronic features around Fermi level correlating to occurrence of magnetism or superconductivity in Laves-phase intermetallic compounds
Xing-Qiu Chen, Shu-Lan Wang, Xue-Yong Ding +1
Prediction of novel stable compounds in the Mg-Si-O system under exoplanet pressures
Haiyang Niu, Artem R. Oganov, Xing-Qiu Chen +1
Intrinsic Correlation between Hardness and Elasticity in Polycrystalline Materials and Bulk Metallic Glasses
Xing-Qiu Chen, Haiyang Niu, Dianzhong Li +1
Effects of dilute substitutional solutes on carbon in $α$-Fe: interactions and associated carbon diffusion from first-principles calculations
Peitao Liu, Weiwei Xing, Xiyue Cheng +3
Dirac node lines in pure alkali earth metals
Ronghan Li, Xiyue Cheng, Hui Ma +5
Families of superhard crystalline carbon allotropes induced via cold-compressed graphite and nanotubes
Haiyang Niu, Xing-Qiu Chen, Shibing Wang +3
Interstitial-Boron Solution Strengthened WB$_{3+x}$
Xiyue Cheng, Wei Zhang, Xing-Qiu Chen +8
Thickness dependent structural and electronic properties of CuO adsorbed on SrTiO3(100): a hybrid density functional theory study
C. Franchini, Xing-Qiu Chen, R. Podloucky
Three-component bosons in TiS, ZrSe and HfTe
Sami Ullah, Jiangxu Li, Ronghan Li +5
Relativistic $GW$+BSE study of the optical properties of Ruddlesden-Popper iridates
Peitao Liu, Bongjae Kim, Xing-Qiu Chen +3
Structure, bonding, and hardness of CrB$_4$: a superhard material?
Haiyang Niu, Jiaqi Wang, Xing-Qiu Chen +5
The three-dimensional topological Dirac semimetal Na$_3$Bi: the ground state phase
Xiyue Cheng, Ronghan Li, Xing-Qiu Chen +2
Topological Metal of NaBi with Ultralow Lattice Thermal Conductivity and Electron-phonon Superconductivity
Xing-Qiu Chen, Ronghan Li, Yan Sun +3
A Unified Mechanism for Hydrogen Trapping at Metal Vacancies
Weiwei Xing, Xing-Qiu Chen, Gang Lu +2
A new polymorphic material? Structural degeneracy of ZrMn_2
Xing-Qiu Chen, W. Wolf, R. Podloucky +2
Superconductivity in novel Ge-based skutterudites: {Sr,Ba}Pt_4Ge_{12}
E. Bauer, A. Grytsiv, Xing-Qiu Chen +9
Polymeric forms of carbon in dense lithium carbide
Xing-Qiu Chen, C. L. Fu, C. Franchini
How Channel Segregates Originates: The Flow of Accumulated Impurity Clusters in Solidifying Steels
Dianzhong Li, Xing-Qiu Chen, Paixian Fu +5
Strain driven onset of non-trivial topological insulating states in Zintl Sr$_2X$ compounds ($X$=Pb, Sn)
Yan Sun, Xing-Qiu Chen, Dianzhong Li +4
Ab initio prediction of half-metallic properties for the ferromagnetic Heusler alloys Co$_2$MSi (M=Ti, V, Cr)
Xing-Qiu Chen, R. Podloucky, P. Rogl
Weyl Ferroelectric Semimetal
Ronghan Li, Yuanfeng Xu, Jianggang He +7
Combined Fast Reversible Liquid-like Elastic Deformation with Topological Phase Transition in Na$_3$Bi
Xiyue Cheng, Ronghan Li, Dianzhong Li +2
Boosting the discovery of 3D topological materials: mixing chemistry with physics via a two-step computational screening strategy
Xing-Qiu Chen
Tuning the vertical location of helical surface states in topological insulator heterostructures via dual-proximity effects
Guangfen Wu, Hua Chen, Yan Sun +6
Topological nodal line states and a potential catalyst of hydrogen evolution in the TiSi family
Jiangxu Li, Hui Ma, Shaobo Feng +6