Ontology highlight
ABSTRACT:
SUBMITTER: Wang S
PROVIDER: S-EPMC9084393 | biostudies-literature | 2018 Aug
REPOSITORIES: biostudies-literature
Wang Shuanglun S Pan Yong Y Wu Yuanpeng Y Lin Yuanhua Y
RSC advances 20180813 50
The electronic and thermodynamic properties of NbSi<sub>2</sub> with four structures (C40, C11<sub>b</sub>, C54 and C49) were studied in terms of first-principle calculations. The band structure and density of states of four NbSi<sub>2</sub> are calculated. Those disilicides show electronic properties because the band gap between the conduction band and the valence band is near the Fermi level. Their metallic character is mainly due to the strong metallic interaction between the Nb-4d state and ...[more]