ORCID "0000-0002-2623-5081" Fen Edebiyat Fakültesi Koleksiyonu için listeleme
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Ab initio lattice dynamics and thermodynamics of rare-earth hexaborides LaB6 and CeB6
Gürel, Tanju; Eryigit, Resul (Amer Physical Soc, 2010)We have performed an ab initio study of structural, elastic, lattice-dynamical, and thermodynamical properties of rare-earth hexaborides LaB6 and CeB6. The calculations have been carried out within the density-functional ... -
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 ... -
Characterization of vibrational and mechanical properties of quaternary compounds Cu2ZnSnS4 and Cu2ZnSnSe4 in kesterite and stannite structures
Gürel, Tanju; Sevik, Cem; Çagın, Tahir (Amer Physical Soc, 2011)In this paper, structural, elastic, and dynamical properties of Cu2ZnSnS4 and Cu2ZnSnSe4 are calculated for kesterite and stannite structures using the density functional and density functional perturbation theories. The ... -
Spectral properties of LiFeAs: An LDA plus DMFT study
Skornyakov, S. L.; Novoselov, D. Y.; Gürel, Tanju; Anisimov, V. I. (Maik Nauka/Interperiodica/Springer, 2012)Spectral properties of LiFeAs superconductor are investigated within the LDA+DMFT method. Calculated distribution of the spectral weight in the k-space is in good agreement with angle-resolved photoemission (ARPES) spectra. ...