Flexible and Efficient Semi-Empirical DFTB Parameters for Electronic Structure Prediction of 3D, 2D Iodide Perovskites and Heterostructures

Fuente: arXiv

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Bibliographic Details
Main Authors:	Jiang, Junke, van der Heide, Tammo, Thébaud, Simon, Lien-Medrano, Carlos Raúl, Fihey, Arnaud, Pedesseau, Laurent, Quarti, Claudio, Zacharias, Marios, Volonakis, George, Kepenekian, Mikael, Aradi, Bálint, Sentef, Michael A., Even, Jacky, Katan, Claudine
Format:	Preprint
Published:	2024
Subjects:	Materials Science
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2412.07016