Browsing by Author "Charifi, Z."
Now showing items 1-8 of 8
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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 ... -
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 ... -
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, electronic and vibrational properties of ordered intermetallic alloys CoZ (Z=Al, Be, Sc and Zr) from first-principles total-energy calculations
Ugur, S.; Iyigor, A.; Charifi, Z.; Baaziz, H.; Ellialtioglu, M. R. (TAYLOR & FRANCIS LTD, 2013)Self-consistent band calculations on four intermetallic compounds of the CsCl structure are presented. The calculations were performed employing the self-consistent ultrasoft pseudopotential method based on the density ...
