Browsing by Author "Candan, A."
Now showing items 1-14 of 14
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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 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 and vibrational properties in cobalt-based full-Heusler compounds: A first principle study of Co2MnX (X = Si, Ge, Al, Ga)
Candan, A.; Ugur, G.; Charifi, Z.; Baaziz, H.; Ellialtioglu, M. R. (ELSEVIER SCIENCE SA, 2013)First-principles self-consistent pseudopotential plane wave calculations based on density functional theory were performed in order to study magnetic moments, density of states and half-metallicity of L2(1) type full Heusler ... -
Equiatomic quaternary Heusler compounds TiVFeZ (Z=Al, Si, Ge): Half-metallic ferromagnetic materials
Gencer, A.; Sürücü, O.; Usanmaz, D.; Khenata, R.; Candan, A.; Sürücü, G. (Elsevier Ltd, 2021)Equiatomic quaternary Heusler compounds (EQHCs) are very promising materials for spintronic applications due to their excellent electronic and magnetic properties. In this study, structural, electronic, magnetic, mechanic, ... -
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 ... -
First Brillouin zone-centre phonon frequencies and elastic stiffness of the Ln(2)Hf(2)O(7) (Ln = La, Nd, Sm and Eu) pyrochlore
Kushwaha, A. K.; Bouhemadou, A.; Khenata, R.; Candan, A.; Akbudak, S.; Ugur, S. (ELSEVIER, 2019)First Brillouin zone-centre phonon frequencies, elastic stiffness and mechanical properties of the Ln2Hf20 7 [Ln: La, Nd, Sm and Eu] pyrochlore structure were predicted by using an eight parameter bond-bending force constant ... -
First principles investigations of the structural, elastic, electronic, vibrational and thermodynamic properties of hexagonal XAl2O4 (X = Cd, Ca and Sr)
Kushwaha, A. K.; Akbudak, S.; Candan, A.; Yadav, A. C.; Ugur, G.; Ugur, S. (IOP PUBLISHING LTD, 2019)Developing functional semiconductors for electronics, catalysis and photo electrochemical cells (PECs) that will take place of conventional semiconductors is very important. Despite intensive studies conducted about ... -
Phase transition of Nowotny-Juza NaZnX (X = P, As and Sb) compounds at high pressure: Theoretical investigation of structural, electronic and vibrational properties
Charifi, Z.; Baaziz, H.; Noui, S.; Ugur, S.; Ugur, G.; Iyigor, A.; Candan, A. (ELSEVIER SCIENCE BV, 2014)A theoretical study of structural, electronic, elastic and phonon properties of NaZnX (X = P, As and Sb) compounds is presented by performing ab initio calculations based on density-functional theory using the full-potential ... -
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 and vibrational properties of XAl2O4 (X = Ca, Sr and Cd) semiconductors with orthorhombic structure
Akbudak, S.; Candan, A.; Kushwaha, A. K.; Yadav, A. C.; Ugur, G.; Ugur, S. (ELSEVIER SCIENCE SA, 2019)Structural, elastic, electronic and vibrational properties of XAl2O4 (X = Ca, Sr and Cd) compounds with orthorhombic structure are studied by first principles method within generalized gradient approximation. The calculated ... -
A study on magnetic, electronic, elastic and vibrational properties of Ir2MnAl Heusler alloy for spintronic applications
Candan, A. (IOP PUBLISHING LTD, 2019)The magnetic, electronic, elastic and vibrational properties of Ir2MnAl Heusler alloy are investigated with generalised gradient approximation (GGA) within the frame of Density Functional Theory (DFT). The ferromagnetic ... -
Theoretical research on structural, electronic, mechanical, lattice dynamical and thermodynamic properties of layered ternary nitrides Ti(2)AN (A = Si, Ge and Sn)
Candan, A.; Akbudak, S.; Ugur, S.; Ugur, G. (ELSEVIER SCIENCE SA, 2019)First-principles density functional theory (DFT) calculations within generalized gradient approximation (GGA) are carried out to investigate the structural, electronic, mechanical, lattice dynamical and thermodynamic ... -
Thermodynamic Modeling of the Al-Ba and Ba-Ge Systems Supported by First-Principles Calculations
Benhafid, R.; Bouzida, A. Belgacem; Djaballah, Y.; Candan, A.; Iyigor, A.; Ugur, G. (SPRINGER, 2019)The phase diagrams of Al-Ba and Ba-Ge systems are optimized by coupling the CALPHAD approach and first-principles calculations. The binary intermetallic compounds were treated as stoichiometric phases. The total energies ...
