Self-consistent relativistic calculation of the energy bands and cohesive energy of W
- 15 February 1984
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 29 (4) , 1534-1539
- https://doi.org/10.1103/physrevb.29.1534
Abstract
The energy bands, equilibrium lattice constant, cohesive energy, and bulk modulus of tungsten have been calculated with the use of our relativistic pseudopotential. This is the first self-consistent calculation for W of which we are aware in which the spin-orbit interaction is treated on an equal footing with the other relativistic contributions. The calculated lattice constant and cohesive energy are in good agreement with experiment but the bulk modulus is not.Keywords
This publication has 16 references indexed in Scilit:
- Self-consistent semirelativistic pseudopotential calculation of the energy bands, cohesive energy, and bulk modulus of WPhysical Review B, 1983
- Pseudopotentials that work: From H to PuPhysical Review B, 1982
- Efficacious Form for Model PseudopotentialsPhysical Review Letters, 1982
- Relativistic norm-conserving pseudopotentialPhysical Review B, 1980
- First-principles nonlocal-pseudopotential approach in the density-functional formalism. II. Application to electronic and structural properties of solidsPhysical Review B, 1979
- A relativistic density functional formalismJournal of Physics C: Solid State Physics, 1979
- Self-consistent pseudopotential calculation of the bulk properties of Mo and WPhysical Review B, 1979
- Inhomogeneous relativistic electron gasJournal of Physics C: Solid State Physics, 1978
- Volume and surface photoemission from tungsten. I. Calculation of band structure and emission spectraPhysical Review B, 1974
- Calculation of the Photoelectric Emission from Tungsten, Tantalum, and MolybdenumPhysical Review B, 1971