Peculiarities of phonons in Ni-Mn-Ga alloys: Ab initio studies
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Magnetism and Magnetic Materials"
DOI: 10.1016/j.jmmm.2017.10.101
Abstract: Abstract This work presents a theoretical investigation of the Heusler compound Ni 2 MnGa with PHONON and VASP software. In particular, in the focus of this study is the role of the atomic disorder in… read more here.
Keywords: initio studies; phonons alloys; alloys initio; peculiarities phonons ... See more keywords
Ab initio studies of Ti2S3 as a new cathode material for magnesium secondary batteries
Sign Up to like & getrecommendations! Published in 2019 at "Materials Today Communications"
DOI: 10.1016/j.mtcomm.2019.100598
Abstract: Abstract In this work, we use spin unpolarized van der Waals-corrected static for the comparative study of highly defective TiS2 with Ti2S3 stoichiometry and stoichiometric TiS2, a well-known compound studied experimentally. Our study predicts that… read more here.
Keywords: new cathode; initio studies; tis2; studies ti2s3 ... See more keywords