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Design of defected TaN supercells dataset for structural and elastic properties from ab initio simulations and

Chen-Hui Li1, Grégory Abadias2, Laurent Belliard3

  • 1Laboratoire des Sciences des Procédés et des Matériaux, UPR 3407 CNRS, Université Sorbonne Paris Nord, Alliance Sorbonne-Paris-Cité, 99 Avenue J.B. Clément 93430 Villetaneuse, France.

Data in Brief
|March 28, 2020
PubMed

Keywords:
Elastic constantsPhononsSound velocitiesSupercellsThin filmsTransition metal nitridesVacancies

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