Electronic and structural properties of TiB 2: Bulk, surface, and nanoscale effects

Volonakis, G; Tsetseris, L; Logothetidis, S

dc.contributor.author	Volonakis, G	en
dc.contributor.author	Tsetseris, L	en
dc.contributor.author	Logothetidis, S	en
dc.date.accessioned	2014-03-01T02:01:09Z
dc.date.available	2014-03-01T02:01:09Z
dc.date.issued	2011	en
dc.identifier.uri	https://dspace.lib.ntua.gr/xmlui/handle/123456789/29156
dc.subject	Electronic Properties	en
dc.subject	First Principle	en
dc.subject	first-principles calculation	en
dc.subject	Structural Properties	en
dc.subject	Titanium	en
dc.title	Electronic and structural properties of TiB 2: Bulk, surface, and nanoscale effects	en
heal.type	journalArticle	en
heal.identifier.primary	10.1016/j.mseb.2010.03.063	en
heal.identifier.secondary	http://dx.doi.org/10.1016/j.mseb.2010.03.063	en
heal.publicationDate	2011	en
heal.abstract	Titanium diboride (TiB2), is a widely used hard material that comprises graphene-like layers of B and intercalated Ti atoms. Here we report the results of extensive first-principles calculations on key properties of bulk TiB2, TiB2 surfaces, and TiB2 nanocrystals (NCs). The computational approach is first validated based on the agreement between calculated structural and electronic properties of bulk TiB2 and	en
heal.journalName	Materials Science and Engineering B-advanced Functional Solid-state Materials	en
dc.identifier.doi	10.1016/j.mseb.2010.03.063	en