Yazar "Erkişi, Aytaç" için listeleme
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An ab initio Study of Cr and Mn Doped MAX Phase TiMSiB
Yıldız, Buğra; Sürücü, Gökhan; Erkişi, Aytaç (Institute of Electrical and Electronics Engineers Inc., 2019)MAX phases, which are widely studied experimentally and theoretically, have general formula of M(n1)AXn, where M is transition metals, A is A group element and X is C and N. In this study, the structural, mechanical and ... -
The first principles investigation of structural, electronic, mechanical and lattice dynamical properties of the B and N doped M2AX type MAX phases Ti2AlB0.5C0.5 and Ti2AlN0.5C0.5 compounds
Sürücü, Gökhan; Erkişi, Aytaç (2018)Ti2AlB0.5C0.5 and Ti2AlN0.5C0.5 compounds which are called M2AX type MAX phases referred to as 211 and have hexagonal crystal structure with conform to P63/mmc space group, have been examined by using Generalized Gradient ... -
The investigation of electronic, anisotropic elastic and lattice dynamical properties of MAB phase nanolaminated ternary borides: M2AlB2 (M ¼ Mn, Fe and Co) under spin effects
Sürücü, Gökhan; Yıldız, Buğra; Erkişi, Aytaç; Wang, Xiaotian; Sürücü, Özge (Elsevier Ltd, 2020)In the present study, the structural, electronic, magnetic, anisotropic elastic and lattice dynamic properties of the ternary metal borides M2AlB2 (M=Mn, Fe and Co) known as MAB phases have been investigated by density ... -
The spin effects on electronic, optical and mechanical properties of new ferromagnetic chalcopyrite: YMnS2
Yıldız, Buğra; Erkişi, Aytaç; Sürücü, Gökhan (Elsevier Ltd, 2022)In this study, magnetic and electronic nature, optical behavior, and elasticity properties of YMnS2 compound have been investigated by using density functional theory (DFT). The compound belongs to the chalcopyrite family ...
