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Published in 2019 at "Materials Chemistry and Physics"
DOI: 10.1016/j.matchemphys.2019.02.024
Abstract: Abstract The zone-center phonon frequencies and the elastic properties of six ternary chalcopyrite compounds represented by ABSe2 (A = Cu and Ag; B = Al, Ga and In) are systematically calculated by using the rigid ion model.…
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Keywords:
elastic properties;
zone center;
center phonons;
ternary chalcopyrite ... See more keywords
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Published in 2021 at "Physical review letters"
DOI: 10.1103/physrevlett.127.215701
Abstract: Unstable zone-boundary phonon modes drive atomic displacements linked to a rich array of properties. Yet, the electronic origin of the instability remains to be clearly explained. In this Letter, we propose that bonding interaction between…
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Keywords:
electronic origin;
non zone;
center phonon;
zone center ... See more keywords