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arXiv · 1905.05511

Pressure induced evolution of band structure in black phosphorus studied by $^{31}$P-NMR

T. Fujii·Y. Nakai·Y. Akahama·K. Ueda·T. Mito
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Abstract

Two-dimensional layered semiconductor black phosphorus (BP), a promising pressure induced Dirac system as predicted by band structure calculations, has been studied by $^{31}$P-nuclear magnetic resonance. Band calculations have been also carried out to estimate the density of states $D(E)$. The temperature and pressure dependences of nuclear spin lattice relaxation rate $1/T_1$ in the semiconducting phase are well reproduced using the derived $D(E)$, and the resultant pressure dependence of semiconducting gap is in good accordance with previous reports, giving a good confirmation that the band calculation on BP is fairly reliable. The present analysis of $1/T_1$ data with the complemental theoretical calculations allows us to extract essential information, such as the pressure dependences of $D(E)$ and chemical potential, as well as to decompose observed $1/T_1$ into intrinsic and extrinsic contributions. An abrupt increase in $1/T_1$ at 1.63GPa indicates that the semiconducting gap closes, resulting in an enhancement of conductivity.

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T. Fujii, Y. Nakai, Y. Akahama, K. Ueda, T. Mito. 2019-05-14. Pressure induced evolution of band structure in black phosphorus studied by $^{31}$P-NMR. https://doi.org/10.1103/physrevb.101.161408

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