DFT insights into the electronic and optical properties of fluorine-doped monoclinic niobium pentoxide (B-Nb sub(2)O sub(5):F)

We report on the effect of fluorine doping on the electronic structure and optical properties of monoclinic niobium pentoxide (B-Nb sub(2)O sub(5)) as revealed by the first principles calculations. Density functional theory (DFT) along with generalized gradient approximation (GGA) at the revised Per...

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Veröffentlicht in:	Applied physics. A, Materials science & processing Materials science & processing, 2016-09, Vol.122 (9), p.1-7
Hauptverfasser:	El-Shazly, Tamer S, Hassan, Walid MI, Rehim, Sayed SAbdel, Allam, Nageh K
Format:	Artikel
Sprache:	eng
Schlagworte:	Conduction band Doping Electronics Energy gaps (solid state) Mathematical analysis Niobium oxides Optical properties Semiconductors
Online-Zugang:	Volltext
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