Spin–orbit coupling effect on electronic, optical, and thermoelectric properties of Janus Ga2SSe

In this paper, we investigate the electronic, optical, and thermoelectric properties of Ga2SSe monolayer by using density functional theory. Via analysis of the phonon spectrum and ab initio molecular dynamics simulations, Ga2SSe is confirmed to be stable at room temperature. Our calculations demons...

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Veröffentlicht in:	RSC advances 2020-12, Vol.10 (73), p.44785-44792
Hauptverfasser:	Nguyen, Hong T T, Vo, T T, Vu, Tuan V, Hieu, Nguyen V, Lu, Dung V, Rai, D P, Binh, Nguyen T T
Format:	Artikel
Sprache:	eng
Schlagworte:	Boltzmann transport equation Chemistry Coupling (molecular) Density functional theory Electron spin Electron transport Energy gap Figure of merit Mathematical analysis Molecular dynamics Optical properties Optoelectronic devices Physical properties Room temperature Spin-orbit interactions Splitting Thermal conductivity Thermoelectricity Transport properties Valence band
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