Yazar "Surucu, G." için listeleme
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DFT-based ab-initio study of half-Heusler KCaP compound
Mogulkoc, Y.; Ciftci, Y. O.; Surucu, G. (NATL INST OPTOELECTRONICS, 2018)An ab-initio study of structural, elastic, electronic and optical properties of KCaP compound with space group F (4) over bar 3m have been reported using the plane-wave pseudo-potential technique based on density functional ... -
The effect of hydrogen on the electronic, mechanical and phonon properties of LaMgNi4 and its hydrides for hydrogen storage applications
Baysal, M. B.; Surucu, G.; Deligoz, E.; Ozisik, H. (PERGAMON-ELSEVIER SCIENCE LTD, 2018)Density functional theory calculations are used herein to explore the effect of hydrogen on the electronic, mechanical and phonon properties of LaMgNi4 and its hydrides. The polycrystalline elastic moduli, Poisson's ratios ... -
Structural and Thermoelectronic Properties of Chalcopyrite MgSiX2 (X = P, As, Sb)
Kocak, B.; Ciftci, Y. O.; Surucu, G. (SPRINGER, 2017)We have explored the structural, electronic, optical, and mechanical properties of the magnesium-based chalcopyrites MgSiP2, MgSiAs2, and MgSiSb2 using density functional theory with five different generalized gradient ... -
Structural phase transition, electronic, elastic, and vibrational properties of LiAl intermetallic compound: insights from first-principles calculations
Mogulkoc, Y.; Ciftci, Y. O.; Surucu, G. (CANADIAN SCIENCE PUBLISHING, NRC RESEARCH PRESS, 2017)Using the first-principles calculations based on density functional theory (DFT), the structural, elastic, electronic, and vibrational properties of LiAl have been explored within the generalized gradient approximation ... -
The structural, electronic, magnetic, and mechanical properties of perovskite oxides PbM1/2Nb1/2O3 (M = Fe, Co and Ni)
Erkisi, A.; Surucu, G.; Deligoz, E. (WORLD SCIENTIFIC PUBL CO PTE LTD, 2018)In this study, the structural, electronic, magnetic, and mechanical properties of perovskite oxides PbM1/2Nb1/2O3 (M = Fe, Co and Ni) are investigated. The systems are treated in ferromagnetic order. The calculations are ... -
Thermo-Elastic and Lattice Dynamical Properties of Pd3X (X = Ti, Zr, Hf) Alloys: An Ab Initio Study
Surucu, G.; Colakoglu, K.; Ciftci, Y. O.; Ozisik, H. B.; Deligoz, E. (SPRINGER, 2015)Using the generalized-gradient approximation (GGA) based on density functional theory, we have reported the structural, mechanical, electronic, and lattice dynamical properties of the intermetallic compounds Pd3X (X = Ti, ...
