التفاصيل البيبلوغرافية
| العنوان: |
Electronic properties of WS2 and WSe2 monolayers with biaxial strain: A first-principles study. |
| المؤلفون: |
Muoi, Do1, Hieu, Nguyen N.1, Phung, Huong T.T.1, Phuc, Huynh V.1, Amin, B.1, Hoi, Bui D.1, Hieu, Nguyen V.1, Nhan, Le C.1, Nguyen, Chuong V.1, Le, P.T.T.1 lethithuphuong@tdtu.edu.vn |
| المصدر: |
Chemical Physics. Mar2019, Vol. 519, p69-73. 5p. |
| مصطلحات موضوعية: |
*MONOMOLECULAR films, *BAND gaps, *SEMICONDUCTORS, *NANOELECTRONICS, *NANOELECTROMECHANICAL systems |
| مستخلص: |
Highlights • WX 2 (X = S, Se) monolayers are semiconductors with direct band gaps at equilibrium. • Biaxial strain ε b can lead to the indirect-direct gap transition in WX 2 monolayers. • Semiconductor-metal transition was observed in the WS 2 monolayer at ε b = −10%. • Bandgap control by strain in WX 2 monolayers is useful for nanoelectronic devices. Abstract In the present work, we consider electronic properties of WX 2 (X = S, Se) monolayers under a biaxial strain ε b using the first principles study. Our calculations indicate that, at equilibrium, the WS 2 and WSe 2 monolayers are semiconductors with a direct band gap of respectively 1.800 eV and 1.566 eV while their bulk structures are indirect semiconductors. The electronic properties of the WX 2 monolayers are very sensitive with the biaxial strain, especially compression strain. The biaxial strain ε b is the cause of the band gap of the WX 2 monolayers and especially the semiconductor-metal phase transition has occurred in the WS 2 monolayer at ε b = - 10 %. In addition, the direct-indirect band gap transition was observed in both WS 2 and WSe 2 monolayers at a certain elongation of biaxial strain ε b . The phase transitions in these monolayers can be very useful for their applications in nanoelectromechanical devices. [ABSTRACT FROM AUTHOR] |
| قاعدة البيانات: |
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