Yazar "Erkisi, Aytac" için listeleme
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An ab initio study on the investigation of structural, electronic, mechanical and lattice dynamical properties of the M(2)AX type MAX phases Sc2AlB0.5C0.5, Sc2AlB0.5N0.5 and Sc2AlC0.5N0.5 compounds
Surucu, Gokhan; Erkisi, Aytac (IOP PUBLISHING LTD, 2017)The hypothetical Sc2AlB0.5C0.5, Sc2AlB0.5N0.5 and Sc2AlC0.5N0.5 compounds are M(2)AX type MAX phases referred to as #211 and have hexagonal crystal structure which conforms to P6(3)/mmc space group. These compounds have ... -
The electronic and elasticity properties of new half-metallic chalcogenides Cu(3)TMCh(4) (TM = Cr, Fe and Ch = S, Se, Te): an ab initio study
Erkisi, Aytac; Surucu, Gokhan (TAYLOR & FRANCIS LTD, 2019)The ternary copper-based chalcogenides Cu(3)TMCh(4) (TM = Cr, Fe and Ch = S, Se, Te), which have simple cubic (SC) crystal structure and conform to space group with 215 space number, have been investigated by spin-polarised ... -
First principles study on the structural, electronic, mechanical and lattice dynamical properties of XRhSb (X = Ti and Zr) paramagnet half-Heusler antimonides
Surucu, Gokhan; Candan, Abdullah; Erkisi, Aytac; Gencer, Aysenur; Gullu, Hasan Huseyin (IOP PUBLISHING LTD, 2019)The half-Heusler TiRhSb and ZrRhSb alloys in the formation of face-centered cubic MgAgAs-type structure, which conforms to the F (4) over bar 3m space group with 216 as the space number, have been investigated using ... -
First-principles investigation of LaGaO3 and LaInO3 lanthanum perovskite oxides
Erkisi, Aytac; Gokoglu, Gokhan; Surucu, Gokhan; Ellialtioglu, Recai; Yildirim, Erdem Kamil (TAYLOR & FRANCIS LTD, 2016)Among the class of ABO(3)-type perovskite oxides, LaMO3 (M=Ga and In) compounds are investigated in cubic (Pm-3m), tetragonal (P4mm), hexagonal (P-3m1), rhombohedral (R-3c) and orthorhombic (Pbnm) phases using generalised ... -
The Investigation DO3-type Fe3M (M=Al, Ga, Si and Ge) Full-Heusler Alloys Within First Principles Study
Erkisi, Aytac; Surucu, Gokhan (GAZI UNIV, 2018)Full-Heusler Fe3M (M=Al, Ga, Si and Ge) alloys whose crystal structure is DO3-type disordered structure which conforms to Fm (3) over barm space group, have been investigated by using Local Spin Density Approximation (LSDA) ... -
The Investigation of Electronic, Elastic and Vibrational Properties of an Interlanthanide Perovskite: PrYbO3
Kaderoglu, Cagil; Surucu, Gokhan; Erkisi, Aytac (SPRINGER, 2017)The structural, mechanical, electronic and lattice dynamical properties of the PrYbO3 compound from the ABO(3)-type perovskite family have been investigated by performing the first-principles density functional theory ... -
The investigation of electronic, magnetic, mechanical, and lattice dynamical properties of PdMX (M = Cr, Fe and X = Si and Ge) ferromagnetic half-Heusler metallics: an ab initio study
Erkisi, Aytac; Surucu, Gokhan (IOP PUBLISHING LTD, 2017)PdMX (M = Cr, Fe and X = Si, Ge) half-Heusler alloys, have been investigated in cubic C1(b) crystal structure which conforms to F (4) over bar 3m space group by using local spin density approximation (LSDA) within the ... -
The investigation of electronic, mechanical and lattice dynamical properties of PdCoX (X=Si and Ge) half-Heusler metallics in , and structural phases: an ab initio study
Erkisi, Aytac; Surucu, Gokhan; Ellialtioglu, Recai (TAYLOR & FRANCIS LTD, 2017)PdCoX (X=Si and Ge) alloys which are XYZ type half-Heusler alloys and also have face centred cubic MgAgAs-type structure which conforms to space group, have been investigated in different atomic arrangements which are ...
