Theoretical study of the electronic structure and electrical properties of Al-doped niobium clusters
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DOI: 10.1016/j.chemphys.2020.110778
Abstract: Abstract A methodology previously suggested for niobium clusters is here applied to the prediction of the ground spin-state of the niobium clusters doped with aluminum atoms. By using all-electron density functional theory with Douglas-Kroll-Hess correction,… read more here.
Keywords: structure electrical; theoretical study; electronic structure; electrical properties ... See more keywords