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Hu CH, Oganov AR, Zhu Q, et al. Pressure-induced stabilization and insulator-superconductor transition of BH. Phys Rev Lett. 2013;110(16):165504doi: 10.1103/PhysRevLett.110.165504.
Hu, C. H., Oganov, A. R., Zhu, Q., Qian, G. R., Frapper, G., Lyakhov, A. O., & Zhou, H. Y. (2013). Pressure-induced stabilization and insulator-superconductor transition of BH. Physical review letters, 110(16), 165504. https://doi.org/10.1103/PhysRevLett.110.165504
Hu, Chao-Hao, et al. "Pressure-induced stabilization and insulator-superconductor transition of BH." Physical review letters vol. 110,16 (2013): 165504. doi: https://doi.org/10.1103/PhysRevLett.110.165504
Hu CH, Oganov AR, Zhu Q, Qian GR, Frapper G, Lyakhov AO, Zhou HY. Pressure-induced stabilization and insulator-superconductor transition of BH. Phys Rev Lett. 2013 Apr 19;110(16):165504. doi: 10.1103/PhysRevLett.110.165504. Epub 2013 Apr 19. PMID: 23679618.
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Phys Rev Lett. 2013 Apr 19;110(16):165504. doi: 10.1103/PhysRevLett.110.165504. Epub 2013 Apr 19.

Pressure-induced stabilization and insulator-superconductor transition of BH.

Physical review letters

Chao-Hao Hu, Artem R Oganov, Qiang Zhu, Guang-Rui Qian, Gilles Frapper, Andriy O Lyakhov, Huai-Ying Zhou

Affiliations

  1. School of Materials Science and Engineering, Guilin University of Electronic Technology, Guilin 541004, People's Republic of China. [email protected]

PMID: 23679618 DOI: 10.1103/PhysRevLett.110.165504

Abstract

Diborane (B(2)H(6)), a high energy density material, was believed to be stable in a wide P, T interval. A systematic investigation of the B-H system using the ab initio variable-composition evolutionary simulations shows that boron monohydride (BH) is thermodynamically stable and can coexist with solid B, H(2), and B(2)H(6) in a wide pressure range above 50 GPa. B(2)H(6) becomes unstable and decomposes into the Ibam phase of BH and H(2) (C2/c) at 153 GPa. The semiconducting layered Ibam structure of BH at 168 GPa transforms into a metallic phase with space group P6/mmm and a 3D topology with strong B-B and B-H covalent bonds. The Ibam-P6/mmm transformation pathway suggests the possibility of obtaining the metastable Pbcm phase on cold decompression of the P6/mmm phase. The electron-phonon coupling calculations indicate that P6/mmm-BH is a phonon-mediated superconductor with a critical temperature of superconductivity (T(c)) of 14.1-21.4 K at 175 GPa.

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