Zobrazeno 1 - 10
of 97
pro vyhledávání: '"Kemal Colakoglu"'
Publikováno v:
Indian Journal of Physics. 90:1233-1241
Structural, electronic, elastic, optical, and vibrational properties of ternary half-Heusler compounds HfXSb (X = Co, Rh, Ru) were studied with means of ab initio calculations based on the density functional theory. The calculated lattice constants w
WOS: 000407392800007
In this study, we have investigated the electronic and optical properties of half-Heusler NiXSn (X = Zr, Hf) compounds under pressure by means of first principles calculations. The generalized gradient approximation is used
In this study, we have investigated the electronic and optical properties of half-Heusler NiXSn (X = Zr, Hf) compounds under pressure by means of first principles calculations. The generalized gradient approximation is used
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c9c8f6fbf5a8e5df03a697392da9e3b4
https://hdl.handle.net/20.500.12451/3213
https://hdl.handle.net/20.500.12451/3213
Publikováno v:
Superlattices and Microstructures. 71:46-61
The structural, elastic, thermodynamic, electronic and vibrational properties of CsCl-type TbMg have been studied by performing ab initio calculations based on density functional theory using the Vienna Ab initio Simulation Package (VASP). The exchan
Publikováno v:
Journal of Alloys and Compounds. 546:157-164
WOS: 000311503000024
By means of plane-wave density functional first-principles calculations within the generalized gradient approximation (GGA), we report the structural, elastic and mechanical properties of MB12 (M = Zr, Hf, Y, Lu) with UB12-t
By means of plane-wave density functional first-principles calculations within the generalized gradient approximation (GGA), we report the structural, elastic and mechanical properties of MB12 (M = Zr, Hf, Y, Lu) with UB12-t
WOS: 000378873900059
We have performed first-principles density functional theory calculations within generalized-gradient approximation to obtain the structural, mechanical, electronic, and dynamic properties of Tin+1GaNn compounds. In order to
We have performed first-principles density functional theory calculations within generalized-gradient approximation to obtain the structural, mechanical, electronic, and dynamic properties of Tin+1GaNn compounds. In order to
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d2c9b600ac1a1013e221bbfd16dbfaf6
https://avesis.gazi.edu.tr/publication/details/24c060a9-3896-49de-88df-bd610b1bc0c2/oai
https://avesis.gazi.edu.tr/publication/details/24c060a9-3896-49de-88df-bd610b1bc0c2/oai
Ab initio calculations on the structural and lattice dynamical properties of TmX (X=As, P) compounds
Publikováno v:
Journal of Physics and Chemistry of Solids. 73:917-924
The structural and lattice dynamical properties of TmX (X=As, P) compounds were investigated using normconserving pseudopotentials within the generalized gradient approximation correction (GGA) of Perdew-Burke-Ernzerhof (PBE) in the framework of dens
Publikováno v:
Journal of Physics and Chemistry of Solids. 73:593-598
WOS: 000301032100016
Based on density functional theory, we have studied the structural stability, elastic, mechanical, and lattice dynamical properties of BeB2, NaB2, and CaB2 compounds in AlB2, OsB2, and ReB2 structures, respectively. Generali
Based on density functional theory, we have studied the structural stability, elastic, mechanical, and lattice dynamical properties of BeB2, NaB2, and CaB2 compounds in AlB2, OsB2, and ReB2 structures, respectively. Generali
Publikováno v:
Solid State Sciences. 14:401-408
WOS: 000301694500018
We have predicted structural, electronic, elastic, thermodynamic and vibration characteristics of TbN, using density functional theory within generalized-gradient (GGA) apraximation. For the total energy calculation we have
We have predicted structural, electronic, elastic, thermodynamic and vibration characteristics of TbN, using density functional theory within generalized-gradient (GGA) apraximation. For the total energy calculation we have
Publikováno v:
Physica B: Condensed Matter. 407:316-323
WOS: 000300596000006
The structural, phase transition, elastic, lattice dynamic and thermodynamic properties of rare-earth compounds PrP and PrAs with NaCl (B1), CsCl (B2), ZB (B3), WC (B-h) and CuAu (L1(0)) structures are investigated using the
The structural, phase transition, elastic, lattice dynamic and thermodynamic properties of rare-earth compounds PrP and PrAs with NaCl (B1), CsCl (B2), ZB (B3), WC (B-h) and CuAu (L1(0)) structures are investigated using the
Publikováno v:
Computational Materials Science. 51:83-90
WOS: 000296214300010
In this work, density functional theory calculations on the structural, mechanical, and lattice dynamical properties of AgB2 and AuB2 compounds in AlB2, OsB2, and ReB2 structures are reported. Generalized gradient approximat
In this work, density functional theory calculations on the structural, mechanical, and lattice dynamical properties of AgB2 and AuB2 compounds in AlB2, OsB2, and ReB2 structures are reported. Generalized gradient approximat