Efficient absolute interface energy calculations for heterostructures: Synergy between localized basis sets and surface passivation techniques

Fuente: arXiv

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Bibliographic Details
Main Authors:	Chandrasekharan, Sreejith Pallikkara, Apergi, Sofia, Cornet, Charles, Pedesseau, Laurent
Format:	Preprint
Published:	2025
Subjects:	Materials Science Applied Physics Chemical Physics Computational Physics
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2506.03769