Browsing by Author "Ozduran, M."
Now showing items 1-6 of 6
-
Ab-initio study of the structural, electronic, elastic and vibrational properties of HfX (X = Rh, Ru and Tc)
Iyigor, A.; Ozduran, M.; Usnsal, M.; Ornek, O.; Arikan, N. (TAYLOR & FRANCIS LTD, 2017)The structural, elastic, electronic and phonon properties of HfX (X = Rh, Ru and Tc) in the caesium-chloride phase have been investigated using the density functional theory within the generalized gradient approximation. ... -
Ab-initio study of the structural, electronic, elastic and vibrational properties of the intermetallic Pd3V and Pt3V alloys in the L1(2) phase
Arikan, N.; Iyigor, A.; Candan, A.; Ozduran, M.; Karakoc, A.; Ugur, S.; Ugur, G. (KOREAN INST METALS MATERIALS, 2014)Pseudopotential plane-wave method based on density functional theory within the generalized gradient approximation for the exchange-correlation potential has been applied to study the structural, electronic, elastic and ... -
An examination of the structural, electronic, elastic, vibrational and thermodynamic properties of Ru2YGa (Y = Sc, Ti and V) Heusler alloys
Candan, A.; Akbudak, S.; Ozduran, M.; Iyigor, A. (ELSEVIER SCIENCE BV, 2018)The structural, electronic, elastic, vibrational and thermodynamic properties of the Ru2YGa (Y = Sc, Ti and V) Heusler alloys in L2(1) type cubic structure have been analyzed systematically using first principles density ... -
An experimental and theoretical study of molecular structure and vibrational spectra of 3-and 4-pyridineboronic acid molecules by density functional theory calculations
Kurt, M.; Sertbakan, T. R.; Ozduran, M. (PERGAMON-ELSEVIER SCIENCE LTD, 2008)The experimental and theoretical vibrational spectra of 3- and 4-pyridineboronic acids (abbreviated as p3 and p4) were studied. The Fourier transform Raman and Fourier transform infrared spectra of p3 and p4 molecules were ... -
First-Principle Investigations of (Ti1-xVx)(2)FeGa.lloys. A Study on Structural, Magnetic, Electronic, and Elastic Properties
Örnek, O.; Iyigor, A.; Meriç, A. S.; Canlı, M.; Ozduran, M.; Arıkan, N. (Maık Nauka/Interperıodıca/Sprınger, 2021)The structural, magnetic, electronic and elastic properties of ternary and quaternary (Ti1-xVx)(2)FeGa alloys with inverse-Heusler (XA) structure were investigated at x = 0, 0.25, 0.50, 0.75, and 1. The crystal structures ... -
Molecular structure, vibrational spectroscopic studies and NBO analysis of the 3,5-dichlorophenylboronic acid molecule by the density functional method
Ayyappan, S.; Sundaraganesan, N.; Kurt, M.; Sertbakan, T. R.; Ozduran, M. (WILEY, 2010)In this study, the Fourier-transform infrared (FT-IR) and FT-Raman spectra of 3,5-dichlorophenylboronicacid (3,5-dcpba) were recorded in the solid phase. The structural and spectroscopic analysis of the 3,5-dichlorophenylboronic ...
