Band structure and chemical bonding in the hydrogen solid solution of Ti3P
1996 (English)In: JOURNAL OF ALLOYS AND COMPOUNDS, Vol. 239, no 1, 16-22 p.Other (Other scientific)
Band structure calculations have been made for the Ti3P-H solid solution system using the LMTO-ASA method. Hydrogen was placed in eight different tetrahedral sites in the Ti3P structure and the differences in stability and chemical bonding for the sites
Place, publisher, year, edition, pages
ELSEVIER SCIENCE SA LAUSANNE , 1996. Vol. 239, no 1, 16-22 p.
Ti3P; hydrogen; band structure; chemical bonding; ABSORPTION
IdentifiersURN: urn:nbn:se:uu:diva-69759OAI: oai:DiVA.org:uu-69759DiVA: diva2:97670
Addresses: Larsson T, UNIV UPPSALA, DEPT INORGAN CHEM, BOX 531, S-75121 UPPSALA, SWEDEN.2008-10-172008-10-17