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Issue 46, 2017
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Stable monolayer α-phase of CdTe: strain-dependent properties

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CdTe is a well known and widely used binary compound for optoelectronic applications. In this study, we propose the thinnest, free standing monolayer of CdTe which has a tetragonal-PbO (α-PbO) symmetry. The structural, electronic, vibrational and strain dependent properties are investigated by means of first principles calculations based on density functional theory. Our results demonstrate that monolayer α-CdTe is a dynamically stable and mechanically flexible material. It is found that the thinnest monolayer crystal of CdTe is a semiconductor with a direct band gap of 1.95 eV, which corresponds to red light in the visible spectrum. Moreover, it is found that the band gap can be tunable under biaxial strain. With its strain-controllable direct band gap within the visible spectrum, the stable α-phase of monolayer CdTe is a suitable candidate for optoelectronic device applications.

Graphical abstract: Stable monolayer α-phase of CdTe: strain-dependent properties

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Article information

11 Sep 2017
01 Nov 2017
First published
02 Nov 2017

J. Mater. Chem. C, 2017,5, 12249-12255
Article type

Stable monolayer α-phase of CdTe: strain-dependent properties

E. Unsal, R. T. Senger and H. Sahin, J. Mater. Chem. C, 2017, 5, 12249
DOI: 10.1039/C7TC04151A

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