Published May 15, 1979
| Version v1
Journal article
Self-consistent electronic structure of chemisorption bonding: c (2 x 2) O on Ni(001)
Creators
- 1. Materials Research Center and Physics Department, Northwestern University, Evanston, Illinois 60201
Description
The validity of local-density theory for describing chemisorption bonding on a reactive-transition-metal surface is studied by means of self-consistent band calculations for c (2 x 2) O on Ni(001). We find O 2p bonding states 2 eV wide (and split by 1 eV) lying 5.5 eV below and the antibonding states just above the Fermi level in very good agreement with available spectroscopic data
Additional details
Publishing Information
- Journal Title
- Phys. Rev., Sect. B. Condens. Matter
- Journal Volume
- 19
- Journal Issue
- 10
- Series
- Phys. Rev., Sect. B. Condens. Matter.
- Journal Page Range
- 4930-4934
- ISSN
- 0163-1829
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 10486936
- Subject category
- S36: MATERIALS SCIENCE;
- Descriptors DEI
- BAND THEORY; CHEMICAL BONDS; CHEMISORPTION; ENERGY LEVELS; NICKEL; OXYGEN
- Descriptors DEC
- CHEMICAL REACTIONS; ELEMENTS; METALS; NONMETALS; SEPARATION PROCESSES; TRANSITION ELEMENTS