Thickness dependence of work function, ionization energy, and electron affinity of Mo and W dichalcogenides from DFT and GW calculations

Transition-metal dichalcogenides (TMDs) are promising for two-dimensional (2D) semiconducting devices and novel phenomena. For 2D applications, their work function, ionization energy, and electron affinity are required as a function of thickness, but research on this is yet to cover the full family...

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Veröffentlicht in:	Physical review. B 2021-02, Vol.103 (8), p.1, Article 085404
Hauptverfasser:	Kim, Han-gyu, Choi, Hyoung Joon
Format:	Artikel
Sprache:	eng
Schlagworte:	Affinity Chalcogenides Density functional theory Electron affinity Electrons Energy gap Ionization Mathematical analysis Thickness Transition metal compounds Work functions
Online-Zugang:	Volltext
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