Published August 11, 2003
| Version v1
Journal article
Electronic properties of LaNi4.75Sn0.25, LaNi4.5M0.5 (M=Si, Ge, Sn), LaNi4.5Sn0.5H5
Creators
Description
The effect of Ni substitutions by group IVA (Si, Ge, Sn) s-p elements on the electronic properties of LaNi5 and its hydrides has been studied using ab initio band structure calculations for several substitution rates. The site and angular momentum analysis of the densities of states (DOSs) are used to discuss the factors that affect the electronic structure, the bonding and stability of the substituted intermetallic compounds and their corresponding hydrides. Our results are discussed in light of available experimental data and previous theoretical work
Additional details
Identifiers
- DOI
- 10.1016/S0925-8388;
- PII
- S0925838802012240;
Publishing Information
- Journal Title
- Journal of Alloys and Compounds
- Journal Volume
- 356-357
- Journal Issue
- 3
- Journal Page Range
- p. 151-155
- ISSN
- 0925-8388
- CODEN
- JALCEU
Conference
- Title
- 8. international symposium on metal-hydrogen systems, fundamentals and applications
- Acronym
- MH2002
- Dates
- 2-6 Sep 2002
- Place
- Annecy (France)
INIS
- Country of Publication
- Netherlands
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 37045787
- Subject category
- S36: MATERIALS SCIENCE;
- Resource subtype / Literary indicator
- Conference, Numerical Data
- Descriptors DEI
- ANGULAR MOMENTUM; CHEMICAL BONDS; ELECTRONIC STRUCTURE; EXPERIMENTAL DATA; GERMANIUM ALLOYS; HYDRIDES; HYDROGEN STORAGE; INTERMETALLIC COMPOUNDS; LANTHANUM ALLOYS; NICKEL ALLOYS; SILICON ALLOYS; TIN ALLOYS
- Descriptors DEC
- ALLOYS; DATA; HYDROGEN COMPOUNDS; INFORMATION; NUMERICAL DATA; RARE EARTH ALLOYS; STORAGE; TRANSITION ELEMENT ALLOYS
Optional Information
- Copyright
- Copyright (c) 2002 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.