Transition metal silicides: aspects of the chemical bond and trends in the electronic structure
- 20 December 1981
- journal article
- Published by IOP Publishing in Journal of Physics C: Solid State Physics
- Vol. 14 (35) , 5479-5494
- https://doi.org/10.1088/0022-3719/14/35/008
Abstract
Presents a theoretical investigation of the electronic properties of bulk silicides of near-noble metals (NiSi2, NiSi, Ni2,Si, PdSi, Pd2Si, PtSi and Pt2Si). The theoretical approach is provided by the iterative extended Huckel method. The densities of states of various compounds, differing in silicon content and in the crystal structure, are presented and the main features of the chemical bond are discussed. A detailed comparison with the available experimental data and with other theoretical work is presented. The relevance of the present results for the interpretation of the silicide/silicon interfaces is also discussed.Keywords
This publication has 26 references indexed in Scilit:
- Electronic structure of compounds at platinum - silicon (111) interfaceSolid State Communications, 1981
- Investigation of NiSi and Pd3Si thin films by AES and XPSPhysica Status Solidi (a), 1980
- Spectroscopic evidence of chemical interaction in Si-Pt interfaces at liquid nitrogen temperatureSolid State Communications, 1980
- de Haas-van Alphen effect and LMTO bandstructure of NiSiJournal of Physics F: Metal Physics, 1980
- Microscopic Compound Formation at the Pd-Si(111) InterfacePhysical Review Letters, 1979
- On the electronic structure and Fermi surface of YZn alloyJournal of Physics F: Metal Physics, 1975
- Platinum silicide formation: Electron spectroscopy of the platinum-platinum silicide interfaceJournal of Applied Physics, 1974
- Roothaan-Hartree-Fock atomic wavefunctionsAtomic Data and Nuclear Data Tables, 1974
- Calculated Properties of Metal Aggregates. I. Diatomic MoleculesThe Journal of Chemical Physics, 1971
- Molecular Orbital Theory for Octahedral and Tetrahedral Metal ComplexesThe Journal of Chemical Physics, 1966