Browsing by Author "Candan, Abdullah"
Now showing items 1-9 of 9
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Electronic structure, elastic and phonon properties of perovskite-type hydrides MgXH3 (X = Fe, Co) for hydrogen storage
Candan, Abdullah; Kurban, Mustafa (PERGAMON-ELSEVIER SCIENCE LTD, 2018)Metal-hydrogen systems have been continuously investigated due to the ability of metallic atoms to absorb large amounts of hydrogen. According to this viewpoint, the electronic structure, elastic and phonon properties of ... -
The First Principle Study of Ni2ScGa and Ni2TiGa
Ozduran, Mustafa; Turgut, Kemal; Arikan, Nihat; Iyigor, Ahmet; Candan, Abdullah (AMER INST PHYSICS, 2014)We computed the electronic structure, elastic moduli, vibrational properties, and Ni2TiGa and Ni2ScGa alloys in the cubic L2(1) structure. The obtained equilibrium lattice constants of these alloys are in good agreement ... -
First Principles Study of the Structural, Elastic, Electronic and Phonon Properties of CdX2O4 (X=Al, Ga, In) Spinel-Type Oxides
Candan, Abdullah; Ugur, Gokay (AMER INST PHYSICS, 2014)We have performed ab-initio calculations of the structural, electronic, elastic and dynamical properties for the spinel compounds CdX2O4 (X=Al, Ga, In) using the plane wave pseudo-potential method within the generalized ... -
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 study of structural, electronic, elastic and phonon properties of AB(2)O(4) (A = Ge, Si; B = Mg, Zn, Cd) spinel oxides
Candan, Abdullah; Ugur, Gokay (WORLD SCIENTIFIC PUBL CO PTE LTD, 2016)The structural, electronic, elastic and phonon properties of the cubic spinels AB(2)O(4) (A = Ge, Si; B = Mg, Zn, Cd) compounds at zero pressure are investigated via density functional theory (DFT) using the Perdew-Burke-Ernzerhof ... -
Pressure and spin effect on the stability, electronic and mechanic properties of three equiatomic quaternary Heusler (FeVHfZ, Z = Al, Si, and Ge) compounds
Sürücü, Gökhan; Gencer, Ayşenur; Sürücü, Özge; Usanmaz, Demet; Candan, Abdullah (Elsevier Ltd, 2021)In this paper, three equiatomic quaternary Heusler compounds − FeVHfZ (Z = Al, Si, and Ge) − are investigated for their structural, magnetic, electronic, mechanic, and lattice dynamic properties under pressure effect. These ... -
Ru2FeGa Heusler alaşımının yapısal, elektronik, elastik ve fonon özelliklerinin ilk prensip çalışması
Candan, Abdullah (2017)Heusler tipi alaşımlar ferromanyetiktir ve ilginç manyetik özellikler göstermelerinden dolayı spinelektronik ve magneto-elektronik uygulamalar için ideal malzeme grubudur. L21 kristal yapısındaki Ru2FeGa Heusler alaşımının ... -
Structural, Elastic, Electronic and Phonon Properties of SnX2O4 (X=Mg, Zn, Cd) Spinel from Density Functional Theory
Ugur, Gokay; Candan, Abdullah (AMER INST PHYSICS, 2014)First-principle calculations of structural, electronic, elastic and phonon properties of SnMg2O4, SnZn2O4 and SnCd2O4 compounds are presented, using the pseudo-potential plane waves approach based on density functional ... -
Structural, elastic, electronic, and magnetic properties of Si-doped Co2MnGe full-Heusler type compounds
Özduran, Mustafa; Candan, Abdullah; Akbudak, Salih; Kushwaha A.K.; iyigör, A. (Elsevier Ltd, 2020)The structural, electronic, magnetic and elastic properties of Co2MnGe1-xSix (x = 0, 0.25, 0.50, 0.75, and 1) compounds are investigated by first-principles calculations within the generalized gradient approximation (GGA). ...