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

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Abstract

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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Publication details

The article was received on 11 Sep 2017, accepted on 01 Nov 2017 and first published on 02 Nov 2017


Article type: Paper
DOI: 10.1039/C7TC04151A
Citation: J. Mater. Chem. C, 2017, Advance Article
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    Stable monolayer α-phase of CdTe: strain-dependent properties

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

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