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Electronic structures and stability investigation of the new class of large band gap topological insulators MTlTe (M = Cd, Hg)
Ying Li, Gang Xu
By means of ternary chemical potential phase diagram and phonon spectrum calculations, we propose that TlTe ( = Cd, Hg), the derivatives of TlTe, are thermody…
Topological Luttinger semimetallic phase accompanied with surface states realized in silicon
Ying Li, Chi-Ho Cheung, Gang Xu
By means of systematically first-principles calculations and model analysis, a complete phase diagram of the body-centered silicon(BC8-Si) via lattice constant a and internal atomi…
Confinement effect enhanced Stoner ferromagnetic instability in monolayer 1T-VSe2
Junyi He, Q. Xie, Gang Xu
Monolayer 1T-VSe2 has been reported as a room-temperature ferromagnet. In this work, by using first-principles calculations, we unveil that the ferromagnetism in monolayer 1T-VSe2…
Electronic structure of a Si-containing topological Dirac semimetal CaAl2Si2
Tao Deng, Cheng Chen, Hao Su +17
There has been an upsurge in the discovery of topological quantum materials, where various topological insulators and semimetals have been theoretically predicted and experimentall…
Mapping the Dirac fermions in intrinsic antiferromagnetic topological insulators (MnBiTe)(BiTe) (n=0, 1)
Zuowei Liang, Mengzhu Shi, Qiang Zhang +7
Topological surface states with intrinsic magnetic ordering in the MnBiTe(BiTe) compounds have been predicted to host rich topological phenomena including quant…
Confinement Effect Driven Quantum Spin Hall Effect in Monolayer AuTe2Cl
Guyue Zhong, Q. Xie, Gang Xu
Based on first-principles calculations, we predict that the monolayer AuTe2Cl is a quantum spin Hall (QSH) insulator with a topological band gap about 10 meV. The three-dimensional…