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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…
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Keywords:
initio studies;
phonons alloys;
alloys initio;
peculiarities phonons ... See more keywords
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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…
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Keywords:
new cathode;
initio studies;
tis2;
studies ti2s3 ... See more keywords