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Janus two-dimensional transition metal dichalcogenide oxides: First-principles investigation of WXO monolayers with X=S , Se, and Te
2021
Physical review B
Structural symmetry breaking in two-dimensional materials can lead to superior physical properties and introduce an additional degree of piezoelectricity. In the present paper, we propose three structural phases (1H , 1T , and 1T ) of Janus WX O (X = S, Se, and Te) monolayers and investigate their vibrational, thermal, elastic, piezoelectric, and electronic properties by using first-principles methods. Phonon spectra analysis reveals that while the 1H phase is dynamically stable, the 1T phase
doi:10.1103/physrevb.103.195438
fatcat:hih3yduyzvenbetxz466hsv74q