Published May 15, 1990
| Version v1
Journal article
Critical structure in the density of states from non-atom-centered Wannier functions
Creators
- 1. Philips Research Laboratories, P.O. Box 80000, NL-5600JA Eindhoven (The Netherlands)
- 2. Department of Theoretical Physics, University of Nijmegen, NL-6525ED Nijmegen (The Netherlands)
- 3. Center for Materials Science, Los Alamos National Laboratory, Los Alamos, NM (USA)
Description
It is shown that the highest and most prominent peak in the density of states of fcc Ni at the top end of the d region can be derived from antibonding Wannier functions of Γ12' (h symmetry) centered at (1/2, 1/2, 1/2) in units of the lattice constant. It is suggested that there is a close relationship between high peaks in the density of states of other systems and similar compact bases consisting of non-atom-centered localized functions
Additional details
Publishing Information
- Journal Title
- Physical Review, B: Condensed Matter
- Journal Volume
- 41
- Journal Issue
- 14
- Series
- Phys. Rev., B: Condens. Matter.
- Journal Page Range
- 9803-9813
- ISSN
- 0163-1829
- CODEN
- PRBMD
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 21074394
- Subject category
- S36: MATERIALS SCIENCE; S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
- Descriptors DEI
- ELECTRONIC STRUCTURE; ENERGY-LEVEL DENSITY; FCC LATTICES; NICKEL; PERTURBATION THEORY; WAVE FUNCTIONS
- Descriptors DEC
- CRYSTAL LATTICES; CRYSTAL STRUCTURE; CUBIC LATTICES; ELEMENTS; FUNCTIONS; METALS; TRANSITION ELEMENTS