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Electronic, Optical, Mechanical, and Electronic Transport Properties of SrCu(2)O(2): A First-Principles Study

The structural, electronic, optical, mechanical, lattice dynamics, and electronic transport properties of SrCu(2)O(2) crystals were studied using first-principles calculations. The calculated band gap of SrCu(2)O(2) using the HSE hybrid functional is about 3.33 eV, which is well consistent with the...

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Detalles Bibliográficos
Autores principales:	Jiang, Sheng, Hu, Chaohao, Wang, Dianhui, Zhong, Yan, Tang, Chengying
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10003907/ https://www.ncbi.nlm.nih.gov/pubmed/36902952 http://dx.doi.org/10.3390/ma16051829

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