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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)

- Qing-Rong Zheng, Gang Su, De-Hai Zhang
- 1995

We have systematically studied both classical and quantum chaotic behaviors of two colliding harmonic oscillators. The classical case falls in Kolmogorov-Arnold-Moser class. It is shown that there exists an energy threshold, above which the system becomes nonintegrable. For some values of the initial energy near the threshold, we have found that the ratio… (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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