Browsing by Author "Arikan, Nihat"
Now showing items 1-15 of 15
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Ab initio calculation of structural, electronic and phonon properties of ZrRu and ZrZn in B2 phase
Arikan, Nihat; Bayhan, Ulku (ELSEVIER SCIENCE BV, 2011)The structural, electronic and dynamic properties of cesium chloride, ZrRu and ZrZn were studied by employing an ab initio pseudopotential method and a linear response scheme, within the generalized gradient approximation. ... -
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 ... -
Electronic and phonon properties of Sc-TM (TM = Ag, Cu, Pd, Rh, Ru) compounds
Arikan, Nihat; Ugur, Sule (ELSEVIER SCIENCE BV, 2010)A theoretical study of structural, electronic and phonon properties of the Sc-TM (TM = Ag, Cu, Pd, Rh, Ru) in the B2 phase was presented using the density functional theory within the generalized gradient approximation ... -
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 electronic and dynamic properties of AgMg and AgZn
Arikan, Nihat; Bayhan, Ulku (PERGAMON-ELSEVIER SCIENCE LTD, 2012)The structural, electronic, and phonon properties of AgMg and AgZn in the cesium-chloride phase have been investigated using the density functional theory (DFT) within the local density approximation (LDA). The calculated ... -
The first-principles study on Zr3Al and Sc3Al in L1(2) structure
Arikan, Nihat (PERGAMON-ELSEVIER SCIENCE LTD, 2013)The elastic, electronic, and phonon properties of the intermetallic compounds Zr3Al and Sc3Al in the L1(2) structure have been investigated in detail by employing an ab initio pseudopotential method and a linear-response ... -
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 ... -
Phonon and elastic properties of AlSc and MgSc from first-principles calculations
Ugur, Sule; Arikan, Nihat; Soyalp, Fethi; Ugur, Goekay (ELSEVIER SCIENCE BV, 2010)First principle calculations of structural, electronic, elastic, and phonon properties of the intermetallic compounds like MgSc and AlSc in the B2 (CsCl) structure are presented in this study, using the pseudo-potential ... -
The Structural, Electronic and Dynamic Properties of the L1(2)-type Co3Ti Alloy
Arikan, Nihat; Ozduran, Mustafa (AMER INST PHYSICS, 2014)The structural, electronic and dynamic properties of the cubic Co3Ti alloy in L1(2) structure have been investigated using a pseudopotential plane wave (PP-PW) method within the generalized gradient approximation proposed ... -
The Structural, Electronic, Elastic and Dynamic Properties of Co3W in the L1(2) Phase
Arikan, Nihat (AMER INST PHYSICS, 2017)A theoretical study is presented for the structural, electronic, elastic and phonon properties of Co3W compounds in L1(2) phase in the framework of density functional theory. The calculations are carried out within the ... -
Structural, electronic, elastic, thermodynamic and phonon properties of LaX (X = Cd, Hg and Zn) compounds in the B2 phase
Ornek, Osman; Arikan, Nihat (WORLD SCIENTIFIC PUBL CO PTE LTD, 2016)The ab initio computations have been performed to examine the structural, elastic, electronic and phonon properties of cubic LaX (X = Cd, Hg and Zn) compounds in the B2 phase. The optimized lattice constants, bulk modulus, ... -
Systematic investigation of physical properties of Mg3XO4 (X = Cr, Mn, Fe, Co, Ni); a computational approach
Al, Selgin; İyigör, Ahmet; Körlü, Ali; Arikan, Nihat (Institute of Physics, 2024)Material development is primarily dependent on their design and theoretical exploration. Density functional theory is a great tool to achieve this goal. Here, Mg3XO4 (X = Cr, Mn, Fe, Co, Ni) are considered in order to ...