Electronic structure of some mono-, semi-titanium boride and diboride

Electronic structure of some mono-, semi-titanium boride and diboride

The electronic structure and chemical bonding mechanism of TiB, Ti2B and TiB2 are studied on the basis of charge density and total density of states and band structure calculations using the full-potential linearized augmented-plane-wave method (FP-LAPW). Results demonstrate the origin of the bondin...

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Veröffentlicht in:Materials letters 2006-06, Vol.60 (12), p.1433-1436
Hauptverfasser: Mouffok, B., Feraoun, H., Aourag, H.
Format: Artikel
Sprache:eng
Schlagworte:
Electronic structure
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Zusammenfassung:The electronic structure and chemical bonding mechanism of TiB, Ti2B and TiB2 are studied on the basis of charge density and total density of states and band structure calculations using the full-potential linearized augmented-plane-wave method (FP-LAPW). Results demonstrate the origin of the bonding formation in these compounds.
ISSN:0167-577X
1873-4979
DOI:10.1016/j.matlet.2005.11.085