Browsing by Author "Iyigor, Ahmet"
Now showing items 1-8 of 8
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Calculations of Structural, Elastic, Electronic, Magnetic and Phonon Properties of FeNiMnAl by the First Principles
Ugur, Sule; Iyigor, Ahmet (AMER INST PHYSICS, 2014)The electronic, elastic and dynamical properties of the quaternary alloy FeNiMnAl have been investigated using a pseudopotential plane wave method within the generalized gradient approximation (GGA). We determined the ... -
Computational investigations of mechanic, electronic and lattice dynamic properties of yttrium based compounds
Yildiz, Gokcen Dikici; Yildiz, Yasin Gokturk; Selgin, A. L.; Iyigor, Ahmet; Arikan, Nihat (WORLD SCIENTIFIC PUBL CO PTE LTD, 2018)Electronic, mechanic and lattice dynamic properties of yttrium-based compounds, X3Y, where X = Pd, Pt and Rh were investigated using the density functional theory. The electronic band calculations demonstrated that X3Y ... -
Computational investigations of mechanical and dynamical properties of gold-based compounds (X3Au, X = Ti, Zr and V)
Al, Selgin; Arikan, Nihat; Ozduran, Mustafa; Iyigor, Ahmet (ELSEVIER SCIENCE BV, 2018)The structural, elastic, electronic and phonon properties of X3Au (X = Ti, Zr and V) compounds in the A15 structure were obtained in the framework of the density functional theory (DFT) within the generalized gradient ... -
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 ... -
Investigations of Structural, Elastic, Electronic and Thermodynamic Properties of X2TiAl Alloys: A Computational Study
Al, Selgin; Arikan, Nihat; Iyigor, Ahmet (WALTER DE GRUYTER GMBH, 2018)First-principle calculations have been adopted in order to reveal and deeply understand the structural, electronic, elastic, thermodynamic, and vibrational properties of full-Heusler X2TiAl (X = Au, Ru, and Zr) alloys in ... -
Lattice dynamic properties of Rh2XAl (X=Fe and Y) alloys
Al, Selgin; Arikan, Nihat; Demir, Suleyman; Iyigor, Ahmet (ELSEVIER SCIENCE BV, 2018)The electronic band structure, elastic and vibrational spectra of Rh2FeAl and Rh2YAl alloys were computed in detail by employing an ab-initio pseudopotential method and a linear-response technique based on the density-functional ... -
Mechanical and dynamical properties of Co3Al and Co3Ta alloys in L1(2) phase
Ornek, Osman; Iyigor, Ahmet; Arikan, Nihat (GAZI UNIV, FAC ENGINEERING ARCHITECTURE, 2017)The structural, elastic, electronic and vibrational properties of Co3Al and Co3Ta alloys with density functional theory have been investigated. The lattice constants, bulk modulus and its pressure derivative are evaluated ... -
Structural, Elastic, Electronic, Magnetic and Vibrational Properties of CuCoMnGa under Pressure
Iyigor, Ahmet; Ugur, Sule (AMER INST PHYSICS, 2014)First principles calculations for the structural, electronic, elastic and phonon properties of the cubic quaternary heusler alloy CuCoMnGa on pressure have been reported by density functional theory (DFT) within generalized ...