Zobrazeno 1 - 10
of 48
pro vyhledávání: '"Haci Ozisik"'
Publikováno v:
Crystals, Vol 11, Iss 8, p 917 (2021)
We report theoretical studies based on density functional theory within spin-orbit coupling to explore electronic structures, lattice dynamical properties of ZrSbTe and HfSbTe. With spin−orbit coupling included, our findings reveal that ZrSbTe and
Externí odkaz:
https://doaj.org/article/8db0d5019d4a40999d57c13b1fbb9400
Publikováno v:
Materials Research Express, Vol 7, Iss 2, p 025004 (2020)
We present a first-principles study of the phonon transport properties of the Half-Heusler NbCoSb compound. The single crystal elastic constants have been calculated using the stress- strain method. The mechanical properties such as bulk modulus, she
Externí odkaz:
https://doaj.org/article/7e1c59d4063442a3bb5077286f5da9ef
Publikováno v:
Solid State Sciences. 139:107160
In this work, we have examined the structural, phonon and anisotropic elastic properties of a hexagonal δ-WN compound via density functional theory. The obtained structural parameters and mechanical properties are in agreement with the other experim
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7d73105623c9ea4d148d870e5ee70791
https://hdl.handle.net/20.500.12451/8895
https://hdl.handle.net/20.500.12451/8895
Publikováno v:
Crystals
Volume 11
Issue 8
Crystals, Vol 11, Iss 917, p 917 (2021)
Volume 11
Issue 8
Crystals, Vol 11, Iss 917, p 917 (2021)
We report theoretical studies based on density functional theory within spin-orbit coupling to explore electronic structures, lattice dynamical properties of ZrSbTe and HfSbTe. With spin−orbit coupling included, our findings reveal that ZrSbTe and
We have investigated the structural, dynamical, elastic, and electronic properties of WGe2 and W5Ge3 compounds in different phases. We have considered the C11b (tetragonal, space group I4/mmm) and C23 (orthorhombic, space group Pnma) strukturbericht
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ed41b42591a4e37270b3948095e19385
https://hdl.handle.net/20.500.12451/7141
https://hdl.handle.net/20.500.12451/7141
We present a first-principles study of the phonon transport properties of the Half-Heusler NbCoSb compound. The single crystal elastic constants have been calculated using the stress- strain method. The mechanical properties such as bulk modulus, she
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e25a4076f98712dff7cb30ebc23c4f33
https://hdl.handle.net/20.500.12451/7501
https://hdl.handle.net/20.500.12451/7501
Publikováno v:
Phase Transitions. 90:598-609
WOS: 000402518800006
A comprehensive investigation of the structural, elastic, and lattice dynamical properties for ZrMo2 and HfMo2 with C14, C15, C36, and CeCu2 phases are conducted using density functional total energy calculations. The result
A comprehensive investigation of the structural, elastic, and lattice dynamical properties for ZrMo2 and HfMo2 with C14, C15, C36, and CeCu2 phases are conducted using density functional total energy calculations. The result
First principles calculations are performed to systematically investigate the electronic, elastic, vibrational, and thermoelectric properties of the hexagonal, rhombohedral and monoclinic structures of CaGa2P2, CaGa2As2, and SrGa2As2 compounds. We ad
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::534e355d091727b46079709313148ab7
https://hdl.handle.net/20.500.12451/6857
https://hdl.handle.net/20.500.12451/6857
WOS: 000454382200031
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 a
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 a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fc3e013ed699e0359d36a65806aa262b
https://hdl.handle.net/20.500.12513/3052
https://hdl.handle.net/20.500.12513/3052