Published August 15, 1987
| Version v1
Journal article
Ab initio calculations of the cohesive energy of Mo and W and heat of formation of MoSi2 and WSi2
Creators
- 1. Department of Physics, University of Texas, Austin, Texas 78712
Description
Using fully relativistic norm-conserving pseudopotentials, we calculate the energy bands, cohesive energy, equilibrium lattice constant, and bulk modulus of Mo and W and compare the results with several recent all-electron and pseudopotential calculations. Comparing these cohesive energies with those we have calculated elsewhere for MoSi2, WSi2, and Si we also obtain MoSi2 and WSi2 heats of formation
Additional details
Publishing Information
- Journal Title
- Phys. Rev., B: Condens. Matter
- Journal Volume
- 36
- Journal Issue
- 6
- Series
- Phys. Rev., B: Condens. Matter.
- Journal Page Range
- 3182-3185
- ISSN
- 0163-1829
- CODEN
- PRBMD
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 19026739
- Subject category
- S36: MATERIALS SCIENCE;
- Descriptors DEI
- BRILLOUIN ZONES; ELASTICITY; ENERGY; FORMATION HEAT; LATTICE PARAMETERS; MOLYBDENUM; MOLYBDENUM SILICIDES; RELATIVISTIC RANGE; SELF-CONSISTENT FIELD; TUNGSTEN; TUNGSTEN SILICIDES
- Descriptors DEC
- ELEMENTS; ENERGY RANGE; ENTHALPY; MECHANICAL PROPERTIES; METALS; MOLYBDENUM COMPOUNDS; PHYSICAL PROPERTIES; REACTION HEAT; SILICIDES; SILICON COMPOUNDS; THERMODYNAMIC PROPERTIES; TRANSITION ELEMENT COMPOUNDS; TRANSITION ELEMENTS; TUNGSTEN COMPOUNDS; ZONES