Published 2004 | Version v1
Miscellaneous Metadata-only

First principles calculations of structural, elastic and electronic properties of 3D transition-metal aluminides

Creators

  • 1. Computational Materials Science Laboratory, Physics Dept., Univ. of Sidi Bel Abbes (Algeria)
  • 2. Laboratoire de Genie-Physique, Univ. Ibn-Khaldoun (Algeria)

Description

Full text.This work deals with the structural, elastic and electronic properties of CoAl, FeAl and NiAl for the B2 (CsCl) structure by means of accurate first-principles total energy calculations using the full potential-linear augmented plane wave. The calculations are based on the local density approximation LDA and the generalized gradient approximation GGA. the results obtained are compared with experimental data and other calculations Good agreement is found

Part of:
Materials science

Additional details

Additional titles

Original title (English)
La science des materiaux

Publishing Information

Imprint Place
Beirut (Lebanon)
Imprint Title
Materials science
Imprint Pagination
420 p.
Journal Page Range
p. 255

Conference

Title
4. Franco-Lebanese conference on materials science (CSM4) International Conference
Original Conference Title
Quatrieme colloque franco-libanais sur la science des materiaux (CSM4) Conference Internationale
Dates
26-28 May 2004
Place
Beirut (Lebanon)

INIS

Country of Publication
Lebanon
Country of Input or Organization
Lebanon
INIS RN
36106450
Subject category
S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
Resource subtype / Literary indicator
Conference, Non-conventional Literature
Descriptors DEI
ALUMINIUM ALLOYS; ELASTICITY; ELECTRONIC STRUCTURE; POTENTIAL ENERGY; TRANSITION ELEMENTS
Descriptors DEC
ALLOYS; ELEMENTS; ENERGY; MECHANICAL PROPERTIES; METALS

Optional Information

Notes
Imprint:La science des materiaux