Simulating Raman spectra by combining first-principles and...

npj Computational Materials 2020 / 12 Vol. 6; Iss. 1

Simulating Raman spectra by combining first-principles and empirical potential approaches with application to defective MoS2

Kou, Zhennan, Hashemi, Arsalan, Puska, Martti J., Krasheninnikov, Arkady V., Komsa, Hannu-Pekka
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Volume:
6
Journal:
npj Computational Materials
DOI:
10.1038/s41524-020-0320-y
Date:
December, 2020
File:
PDF, 2.26 MB
2020
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