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Hardness of T-carbon: Density functional theory calculations
Xing-Qiu Chen, Haiyang Niu, Cesare Franchini +2
We revisit and interpret the mechanical properties of the recently proposed allotrope of carbon, T-carbon [Sheng \emph{et al.}, Phys. Rev. Lett., \textbf{106}, 155703 (2011)], usin…
Strain driven onset of non-trivial topological insulating states in Zintl Sr compounds (=Pb, Sn)
Yan Sun, Xing-Qiu Chen, Dianzhong Li +4
We explore the topological behavior of the binary Zintl phase of the alkaline earth metals based compounds SrPb and SrSn using both standard and hybrid density functional t…
Exceptionally strong magnetism in 4d perovskites RTcO3 (R=Ca,Sr,Ba)
C. Franchini, T. Archer, J. He +3
The evolution of the magnetic ordering temperature of the 4d3 perovskites RTcO3 (R=Ca,Sr,Ba) and its relation with its electronic and structural properties has been studied by mean…
Intrinsic Correlation between Hardness and Elasticity in Polycrystalline Materials and Bulk Metallic Glasses
Xing-Qiu Chen, Haiyang Niu, Dianzhong Li +1
Though extensively studied, hardness, defined as the resistance of a material to deformation, still remains a challenging issue for a formal theoretical description due to its inhe…