Thermoelectric properties of cuprous oxide by first-principles method
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Alloys and Compounds"
DOI: 10.1016/j.jallcom.2018.11.141
Abstract: Abstract Electronic and thermoelectric properties of cubic cuprous oxide are investigated from the LAPW method. The calculations are performed taking the generalized gradient approximation together with Hubbard U scheme at the level of density functional… read more here.
Keywords: lapw method; first principles; thermoelectric properties; properties cuprous ... See more keywords
Investigations of Structural, Electronic, and Magnetic Properties of CuMnAlSe3-Chalcogenide: FP-LAPW Method
Sign Up to like & getrecommendations! Published in 2020 at "Acta Physica Polonica A"
DOI: 10.12693/aphyspola.137.473
Abstract: A theoretical study of the structural, electronic and magnetic properties of the quaternary chalcogenide CuMnAlSe3 crystal is done by means of spin-polarized density functional theory calculations. The framework of FP-LAPW method is used within the… read more here.
Keywords: structural electronic; magnetic properties; electronic magnetic; investigations structural ... See more keywords