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Issue 65, 2014
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Strain engineering of WS2, WSe2, and WTe2

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We perform first-principles calculations to investigate the structural, electronic, and vibrational properties of WS2, WSe2, and WTe2 monolayers, taking into account the strong spin orbit coupling. A transition from a direct to an indirect band gap is achieved for compressive strain of 1% for WS2, 1.5% for WSe2, and 2% for WTe2, while the nature of the band gap remains direct in the case of tensile strain. The size of the band gap passes through a maximum under compressive strain and decreases monotonically under tensile strain. A strong spin splitting is found for the valence band in all three compounds, which is further enhanced by tensile strain. The mobility of the electrons grows along the series WS2 < WSe2 < WTe2.

Graphical abstract: Strain engineering of WS2, WSe2, and WTe2

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Article information

28 Jun 2014
31 Jul 2014
First published
12 Aug 2014

RSC Adv., 2014,4, 34561-34565
Article type

Strain engineering of WS2, WSe2, and WTe2

B. Amin, T. P. Kaloni and U. Schwingenschlögl, RSC Adv., 2014, 4, 34561
DOI: 10.1039/C4RA06378C

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