Kurum Yazarı "Gürel, Tanju" PubMed İndeksli Yayın Koleksiyonu İçin Listeleme
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Ab initio study on the rare-earth iron-pnictides RFeAsO (R = Pr, Nd, Sm, Gd) in the low-temperature Cmma phase
Ertürk, Esra; Gürel, Tanju; Lukoyanov, A. V.; Akçay, Güven; Eryigit, Resul; Anisimov, V. I. (Iop Publishing Ltd, 2014)We present density functional theory calculations on the iron-based pnictides RFeAsO (R = Pr, Nd, Sm, Gd). The calculations have been carried out using plane waves and the projector augmented wave (PAW) pseudopotential ... -
Promising room temperature thermoelectric conversion efficiency of zinc-blende AgI from first principles
Bulut, Pınar; Beceren, B.; Yıldırım, S.; Sevik, C.; Gürel, Tanju (IOP Publishing Ltd, 2020)The theoretical investigation on structural, vibrational, and electronic properties of zinc-blende (ZB) AgI were carried out employing first principles density functional theory calculations. Thermoelectric properties then ...