Thickness and strain effects on electronic structures of transition metal dichalcogenides: 2H-<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>M</mml:mi><mml:msub><mml:mi>X</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math>semiconductors (<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>M</mml:mi></mml:math><mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mo>=</mml:mo></mml:math>Mo, W;<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>X</mml:mi></mml:math><mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mo>=</mml:mo></mml:math>S, Se, Te)

Seok Yun, Won; Wook Han, Sang; Cheol Hong, Soon; Gee Kim, In; D. Lee, J.

doi:10.1103/physrevb.85.033305

Public

Thickness and strain effects on electronic structures of transition metal dichalcogenides: 2H-MX2semiconductors (M=Mo, W;X=S, Se, Te)

Published in Physical Review B • Jan 17, 2012

Authors:

Won Seok Yun

Sang Wook Han

Soon Cheol Hong

Abstract

Using the first-principles calculations, we explore the electronic structures of 2H-$M{X}_{2}$ ($M$ $=$ Mo, W; $X$ $=$ S, Se, Te). When the number of layers reduces to a single layer, the indirect gap of bulk becomes a direct gap with larger gap and the band curvatures are found to lead to the drast...

Subject

Materials science

Band gap

Strain (injury)

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