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pro vyhledávání: '"Calderin, L"'
Autor:
Hinz, Joshua, Karasiev, Valentin V., Hu, S. X., Zaghoo, Mohamed, Mejía-Rodríguez, Daniel, Trickey, S. B., Calderín, L.
Publikováno v:
Phys. Rev. Research 2, 032065 (2020)
Using conceptually and procedurally consistent density functional theory (DFT) calculations with an advanced meta-GGA exchange-correlation functional in ab initio molecular dynamics simulations, we determine the insulator-metal transition (IMT) of wa
Externí odkaz:
http://arxiv.org/abs/2002.05594
As the foundation for a new computational implementation, we survey the calculation of the complex electrical conductivity tensor based on the Kubo-Greenwood (KG) formalism (J.\ Phys.\ Soc.\ Jpn. \textbf{12}, 570 (1957); Proc.\ Phys.\ Soc.\ \textbf{7
Externí odkaz:
http://arxiv.org/abs/1707.08437