The approximate calculation of electronic band structures III
- 1 July 1969
- journal article
- Published by IOP Publishing in Journal of Physics C: Solid State Physics
- Vol. 2 (7) , 1222-1229
- https://doi.org/10.1088/0022-3719/2/7/315
Abstract
It has been shown that a method for the approximate calculation of transition-metal band structures originally suggested by Heine can be made to give good accuracy (to about 001 ryd) when suitable modifications and refinements are introduced. This method has the advantage as compared with other recently suggested schemes of not involving any adjustable β parameter and of giving good accuracy using secular equations of minimal size.Keywords
This publication has 14 references indexed in Scilit:
- The choice of muffin-tin pseudopotentialJournal of Physics C: Solid State Physics, 1969
- Calculation of transition-metal band structuresJournal of Physics C: Solid State Physics, 1969
- The approximate calculation of electronic band structures II. Application to copper and ironJournal of Physics C: Solid State Physics, 1968
- The theory of transition metal band structuresJournal of Physics C: Solid State Physics, 1968
- The approximate calculation of electronic band structureProceedings of the Physical Society, 1967
- Band Theory of Antiferromagnetic ChromiumJournal of the Physics Society Japan, 1967
- Combined Interpolation Scheme for Transition and Noble MetalsPhysical Review B, 1967
- Interaction in Transition MetalsPhysical Review B, 1967
- Interpolation Scheme for Band Structure of Noble and Transition Metals: Ferromagnetism and Neutron Diffraction in NiPhysical Review B, 1966
- Energy Band Structure of CopperPhysical Review B, 1963