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Published in 2023 at "Physical Review B"
DOI: 10.1103/physrevb.107.134119
Abstract: We present a theory and a calculation scheme of structural optimization at finite temperatures within the quasiharmonic approximation (QHA). The theory is based on an efficient scheme of updating the interatomic force constants with the…
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Keywords:
pyroelectricity wurtzite;
wurtzite gan;
thermal expansion;
gan zno ... See more keywords