Structural, electronic, magnetic and thermoelectric properties of Tl2 NbX6 (X = Cl, Br) variant perovskites calculated via density functional theory.
Sign Up to like & getrecommendations! Published in 2023 at "Journal of computational chemistry"
DOI: 10.1002/jcc.27166
Abstract: This article presents detailed structural, electronic, magnetic, and thermoelectric properties of two experimentally existing isostructural variant perovskite compounds Tl2 NbX6 (X = Cl, Br) with the help of first principles calculations. As per requirement of stability in… read more here.
Keywords: magnetic thermoelectric; structural electronic; tl2 nbx6; thermoelectric properties ... See more keywords
The first principle calculations of magnetic and thermoelectric properties of Ba2CeCoO6 with GGA and mBJ approximations
Sign Up to like & getrecommendations! Published in 2019 at "Computational Condensed Matter"
DOI: 10.1016/j.cocom.2019.e00380
Abstract: Abstract The magnetic and thermoelectric properties of a double perovskite Ba2CeCoO6 have been calculated by using the first principle density function theory (DFT). The FP-LAPW method within the (GGA) and (mBJ) approximations is chosen in… read more here.
Keywords: magnetic thermoelectric; mbj approximations; properties ba2cecoo6; first principle ... See more keywords
Correlation between the magnetic and thermoelectric properties in Mg2−xMnxSi
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Alloys and Compounds"
DOI: 10.1016/j.jallcom.2016.08.095
Abstract: Abstract Single crystals of Mg2−xMnxSi (x = 0, 0.1, 0.2, 0.3, and 0.4) were prepared using a vertical Bridgman method. The formation of desired materials was confirmed using single-crystal and powder X-ray diffraction. The thermoelectric and magnetic… read more here.
Keywords: correlation magnetic; thermoelectric properties; magnetic thermoelectric; mg2 xmnxsi ... See more keywords
First-principles investigations of the electronic, magnetic and thermoelectric properties of VTiRhZ (Z= Al, Ga, In) Quaternary Heusler alloys
Sign Up to like & getrecommendations! Published in 2021 at "Materials Chemistry and Physics"
DOI: 10.1016/j.matchemphys.2021.125685
Abstract: Calculations using density functional theory (DFT) were performed to investigate the structural, dynamical, mechanical, electronic, magnetic, and thermoelectric properties of VTiRhZ (Z = Al, Ga, In) alloys. The most stable structure of these alloys was… read more here.
Keywords: electronic magnetic; thermoelectric; properties vtirhz; thermoelectric properties ... See more keywords