Pressure-induced metallization of black arsenic
- 20 September 2019
- journal article
- research article
- Published by IOP Publishing in Journal of Physics: Condensed Matter
- Vol. 31 (50), 505501
- https://doi.org/10.1088/1361-648x/ab3f76
Abstract
Black arsenic (bAs), a cousin of black phosphorus, has attracted increasing attention due to its excellent physical properties such as high carrier mobility and high on/off ratio, which provide new opportunities for future field-effect transistors and photodetectors. As a clear and powerful means, hydrostatic pressure is commonly used to tune the structure and electronic properties of materials. However, there have been few reports to date about bAs under pressure. In this work, a theoretical study is presented on the structure, stability, and electronic properties of bAs under high pressure. The calculation results show that bAs becomes unstable at pressures above 3 GPa. A transition from direct band gap to indirect band gap occurs at 1.2 GPa, and with a further increase of pressure, bAs undergoes a phase transition from semiconductor to metal at a critical pressure of 2.2 GPa. In addition, the carrier effective masses can be modulated slightly by hydrostatic pressure.Keywords
Funding Information
- National Natural Science Foundation of China (61575094, 91733302, 91833302)
This publication has 38 references indexed in Scilit:
- Van der Waals density functionals applied to solidsPhysical Review B, 2011
- Regular Atomic Narrowing of Ni, Fe, and V Nanowires Resolved by Two-Dimensional Correlation AnalysisPhysical Review Letters, 2010
- Atomically Thin: A New Direct-Gap SemiconductorPhysical Review Letters, 2010
- Chemical accuracy for the van der Waals density functionalJournal of Physics: Condensed Matter, 2009
- First-principles calculations of the ferroelastic transition between rutile-type and-typeat high pressuresPhysical Review B, 2008
- Electric Field Effect in Atomically Thin Carbon FilmsScience, 2004
- Raman study of black phosphorus up to 13 GPaSolid State Communications, 1997
- Generalized Gradient Approximation Made SimplePhysical Review Letters, 1996
- Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis setPhysical Review B, 1996
- Diamond anvil cell and high-pressure physical investigationsReviews of Modern Physics, 1983