Yazar "Arikan, N." için listeleme
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Ab initio study of structural, electronic and dynamical properties of MgAuSn
Ugur, G.; Arikan, N. (SPRINGER, 2007)The structural and electronic properties of MgAuSn in the cubic AlLiSi structure have been studied, using density functional theory within the local density approximation. The calculated lattice constant for MgAuSn is found ... -
Ab Inıtıo Study Of Phonon Dıspersıon And Elastıc Propertıes Of L1(2) Intermetallıcs Ti3al And Y3al
Arikan, N.; Ersen, M.; Ocak, H. Y.; Iyigor, A.; Candan, A.; Ugur, S.; Ugur, G. (WORLD SCIENTIFIC PUBL CO PTE LTD, 2013)In this paper, the structural, elastic and phonon properties of Ti3Al and Y3Al in L1(2)( Cu3Al) phase are studied by performing first- principles calculations within the generalized gradient approximation. The calculated ... -
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 ... -
Electronic and phonon properties of the full-Heusler alloys X2YAl (X = Co, Fe and Y = Cr, Sc): a density functional theory study
Arikan, N.; Iyigor, A.; Candan, A.; Ugur, S.; Charifi, Z.; Baaziz, H.; Ugur, G. (SPRINGER, 2014)First-principle calculations have been carried out on the structural, electronic, elastic, and phonon properties of the full-Heusler alloys X2YAl (X = Co, Fe and Y = Cr, Sc). The calculations predict that the Fe2CrAl and ... -
Electronic structure, optical and thermodynamic properties of ternary hydrides MBeH3 (M = Li, Na, and K)
Guendouz, Dj; Charifi, Z.; Baaziz, H.; Ghellab, T.; Arikan, N.; Ugur, S.; Ugur, G. (CANADIAN SCIENCE PUBLISHING, NRC RESEARCH PRESS, 2016)Electronic band structure, optical and thermodynamic properties of ternary hydrides MBeH3 (M = Li, Na, and K) were studied using ab initio density functional theory (DFT). The effect of the adopted approximation to the ... -
Electronic structure, phase stability, and vibrational properties of Ir-based intermetallic compound IrX (X=A1, Sc, and Ga)
Arikan, N.; Charifi, Z.; Baaziz, H.; Ugur, S.; Unver, H.; Ugur, G. (PERGAMON-ELSEVIER SCIENCE LTD, 2015)The phase stability and mechanical properties of B2 type IrX (X=Al, Sc and Ga) compounds are investigated. Self-consistenttotal-energy calculations in the framework of density functional theory using the Generalized Gradient ... -
A first-principle study of Os-based compounds: Electronic structure and vibrational properties
Arikan, N.; Ornek, O.; Charifi, Z.; Baaziz, H.; Ugur, S.; Ugur, G. (PERGAMON-ELSEVIER SCIENCE LTD, 2016)The electronic structure, elastic, and phonon properties of OsM (M=Hf, Ti, Y and Zr) compounds are studied using first-principles calculations. Elastic constants of OsY and specific heat capacity of OsM (M=Hf, Ti, Y, and ... -
Structural, elastic, electronic and phonon properties of scandium-based compounds ScX3 (X = Ir, Pd, Pt and Rh): An ab initio study
Arikan, N.; Iyigor, A.; Candan, A.; Ugur, S.; Charifi, Z.; Baaziz, H.; Ugur, G. (ELSEVIER SCIENCE BV, 2013)Self-consistent band calculations on four compounds of the L1(2) structure are presented. The structural, elastic, electronic and phonon properties of ScX3 (X = Ir, Pd, Pt and Rh) compounds within density functional theory ... -
Structural, elastic, electronic, phonon and thermal properties of Ir3Ta and Rh3Ta alloys
Arikan, N.; Ornek, O.; Ugur, S.; Ugur, G. (TAYLOR & FRANCIS LTD, 2015)We have studied the structural, elastic, electronic, phonon and thermodynamic properties of Ir3Ta and Rh3Ta alloys, using ab initio calculations. For the L1(2) phase, we report the calculated lattice constants, bulk modulus ... -
Structural, electronic and phonon properties of MoTa and MoNb: a density functional investigation
Bayhan, Ue; Arikan, N.; Ugur, S.; Ugur, G.; Civi, M. (IOP PUBLISHING LTD, 2010)First-principles calculations were performed to investigate the structural, electronic and phonon properties of MoTa and MoNb in the CsCl (B2) phase. The calculated lattice constants, static bulk modulus and first-order ...
