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Autor:
Fabris, Guilherme da Silva Lopes, Ferrer, Mateus Meneghetti, Sambrano, Julio Ricardo, de Almeida, Cláudio Romero Rodrigues, Paskocimas, Carlos Alberto, La Porta, Felipe de Almeida
This article provides a comprehensive investigation on the chemical bonding, electronic structure, and spectroscopic properties of the lanarkite-type PSO structure from a computational perspective. Thus, different functionals in the field of DFT (e.g
Externí odkaz:
http://arxiv.org/abs/2311.05569
