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Structural transitions and transport-half-metallic ferromagnetism in LaMnO3 at elevated pressure
J. He, M. -X. Chen, X. -Q Chen +1
By means of hybrid density functional theory we investigate the evolution of the structural, electronic and magnetic properties of the colossal magnetoresistance (CMR) parent compo…
Structure, bonding, and hardness of CrB: a superhard material?
Haiyang Niu, Jiaqi Wang, Xing-Qiu Chen +5
By electron and X-ray diffraction we establish that the CrB compound discovered over 40 years ago crystallizes in the (\emph{Pnnm}) structure, in disagreement with previ…
Families of superhard crystalline carbon allotropes induced via cold-compressed graphite and nanotubes
Haiyang Niu, Xing-Qiu Chen, Shibing Wang +3
We report a general scheme to systematically construct two classes of structural families of superhard sp3 carbon allotropes of cold compressed graphite through the topological ana…
Tuning the vertical location of helical surface states in topological insulator heterostructures via dual-proximity effects
Guangfen Wu, Hua Chen, Yan Sun +6
In integrating topological insulators (TIs) with conventional materials, one crucial issue is how the topological surface states (TSS) will behave in such heterostructures. We use…
Dirac semimetal and topological phase transitions in A3Bi (A=Na, K, Rb)
Zhijun Wang, Yan Sun, Xingqiu Chen +5
The three-dimensional (3D) Dirac point, where two Weyl points overlap in momentum space, is usually unstable and hard to realize. Here we show, based on the first-principles calcul…