Qing-Rong Zheng

Sheng-Ying Yue2
Guangzhao Qin2
Qing-Bo Yan2
Hui-Juan Cui2
2Sheng-Ying Yue
2Guangzhao Qin
2Qing-Bo Yan
2Hui-Juan Cui
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We systematically investigated the geometric, electronic and thermoelectric (TE) properties of bulk black phosphorus (BP) under strain. The hinge-like structure of BP brings unusual mechanical responses such as anisotropic Young's modulus and negative Poisson's ratio. A sensitive electronic structure of BP makes it transform among metal, direct and indirect(More)
This Article contains errors in the insets of Figures 3(a), 3(b) and 3(c), where the stress values were incorrectly given as three times smaller than the correct GPa values. The correct Figure 3 appears below as Figure 1. As such, in the Results section, under subheading 'Strain modulated electronic structure. ' : " The Young's modulus along x, y and z(More)
In this paper we present an implementation of the modified Becke–Johnson meta-GGA functional (TB09) in the PWSCF program of Quantum ESPRESSO package via the Libxc library. Using the functionals of TB09 we calculated the band gaps of some semiconductors and compared the results with previous calculations and experiments. We showed that combining GGA(More)
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