Kurum Yazarı "Ertürk, Esra" Fakülteler İçin Listeleme
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Ab initio study of structural, elastic, and vibrational properties of transition-metal disilicides NbSi2 and TaSi2 in hexagonal C40 structure
Ertürk, Esra; Gürel, Tanju (Elsevier, 2018)We present an ab initio study of structural, elastic and vibrational properties of transition-metal disilicides NbSi2 and TaSi2. The calculations have been carried out within the density-functional theory and linear-response ... -
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 ...