Search
Now showing items 1-5 of 5
First-principles investigation of the structural, dynamical, electronic, and elastic properties of WGe2 and W5Ge3
(Taylor and Francis Ltd., 2020)
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 ...
Anisotropic mechanical properties of Tl4Ag18Te11 compound with low thermal conductivity
(Academic Press Inc., 2020)
The anisotropic mechanical properties of Tl4Ag18Te11 compound was investigated elaborately for the first time by using Density Functional Theory calculations with the Vienna Ab-initio Simulation Package in this work. ...
Phonon transport properties of NbCoSb compound
(Institute of Physics Publishing, 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 ...
Electronic structure and related optical, thermoelectric and dynamical properties of Lilianite-type Pb7Bi4Se13: Ab-initio and Boltzmann transport theory
(Elsevier B.V., 2020)
The electronic, optical, thermoelectric, and dynamic properties of Pb 7 Bi 4 Se 13 have been investigated using first principles calculations. The existence of heavy elements, bismuth and lead, has required to consider the ...
Electronic structure and related optical, thermoelectric and dynamical properties of Lilianite-type Pb7Bi4Se13: Ab-initio and Boltzmann transport theory
(Elsevier B.V., 2020)
Elektronik , optik , termoelektrik ve dinamik özellikleri Pb 7 Bi 4 Se 13 olmuştur ilk ilkeleri hesaplamalar kullanılarak araştırılmıştır. Ağır elementlerin, bizmut ve kurşunun varlığı, spin-yörünge bağlantısının ikinci ...
