Raman anomalies as signatures of pressure induced electronic topological and structural transitions in black phosphorus: Experiments and theory

Gupta, Satyendra Nath and Singh, Anjali and Pal, Koushik and Chakraborti, Biswanath and Muthu, D V S and Waghmare, U V and Sood, A K (2017) Raman anomalies as signatures of pressure induced electronic topological and structural transitions in black phosphorus: Experiments and theory. In: PHYSICAL REVIEW B, 96 (9).

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Abstract

We report high-pressure Raman experiments of black phosphorus up to 24 GPa. The linewidths of first-order Raman modes A(g)(1), B-2g, and A(g)(2) of the orthorhombic phase show a minimum at 1.1 GPa. Our first-principles density functional analysis reveals that this is associated with the anomalies in electron-phonon coupling at the semiconductor to topological insulator transition through inversion of valence and conduction bands marking a change from trivial to nontrivial electronic topology. The frequencies of B-2g and A(g)(2) modes become anomalous in the rhombohedral phase at 7.4 GPa, and new modes appearing in the rhombohedral phase show anomalous softening with pressure. This is shown to originate from unusual structural evolution of black phosphorous with pressure, based on first-principles theoretical analysis.

Item Type:	Journal Article
Publication:	PHYSICAL REVIEW B
Additional Information:	Copy right for this article belongs to the AMER PHYSICAL SOC, ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA
Department/Centre:	Division of Physical & Mathematical Sciences > Physics
Date Deposited:	30 Sep 2017 09:20
Last Modified:	30 Sep 2017 09:20
URI:	http://eprints.iisc.ac.in/id/eprint/57929

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