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Pressure-induced zigzag phosphorus chain and superconductivity in boron monophosphide
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2015 (English)In: Scientific Reports, ISSN 2045-2322, Vol. 5, 8761Article in journal (Refereed) Published
Abstract [en]

We report on the prediction of the zinc-blende structure BP into a novel C2/m phase from 113 to 208 GPa which possesses zigzag phosphorus chain structure, followed by another P4(2)/mnm structure above 208 GPa above using the particle-swarm search method. Strong electron-phonon coupling lambda in compressed BP is found, in particular for C2/m phase with the zigzag phosphorus chain, which has the highest lambda (0.56-0.61) value among them, leading to its high superconducting critical temperature T-c (9.4 K-11.5 K), which is comparable with the 4.5 Kto 13 Kvalue of black phosphorus phase I (orthorhombic, Cmca). This is the first system in the boron phosphides which shows superconductivity from the present theoretical calculations. Our results show that pressure-induced zigzag phosphorus chain in BP exhibit higher superconducting temperature T-C, opening a new route to search and design new superconductor materials with zigzag phosphorus chains.

Place, publisher, year, edition, pages
2015. Vol. 5, 8761
National Category
Physical Sciences
URN: urn:nbn:se:uu:diva-248807DOI: 10.1038/srep08761ISI: 000350375900034PubMedID: 25737341OAI: diva2:801721
Available from: 2015-04-10 Created: 2015-04-08 Last updated: 2015-04-10Bibliographically approved

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Luo, WeiAhuja, Rajeev
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