Transition metal silicides: aspects of the chemical bond and trends in the electronic structure

作者: O Bisi , C Calandra

DOI: 10.1088/0022-3719/14/35/008

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摘要: Presents a theoretical investigation of the electronic properties bulk silicides near-noble metals (NiSi2, NiSi, Ni2,Si, PdSi, Pd2Si, PtSi and Pt2Si). The approach is provided by iterative extended Huckel method. densities states various compounds, differing in silicon content crystal structure, are presented main features chemical bond discussed. A detailed comparison with available experimental data other work presented. relevance present results for interpretation silicide/silicon interfaces also

参考文章(28)
G. Ottaviani, Review of binary alloy formation by thin film interactions Journal of Vacuum Science and Technology. ,vol. 16, pp. 1112- 1119 ,(1979) , 10.1116/1.570170
P. M. Stevenson, Optimized perturbation theory Physical Review D. ,vol. 23, pp. 2916- 2944 ,(1981) , 10.1103/PHYSREVD.23.2916
Aharon Davidson, B − L as the fourth color within an SU ( 2 ) L × U ( 1 ) R × U ( 1 ) model Physical Review D. ,vol. 20, pp. 776- 783 ,(1979) , 10.1103/PHYSREVD.20.776
PS Ho, GW Rubloff, JE Lewis, VL Moruzzi, AR Williams, None, Chemical bonding and electronic structure ofPd2Si Physical Review B. ,vol. 22, pp. 4784- 4790 ,(1980) , 10.1103/PHYSREVB.22.4784
Enrico Clementi, Carla Roetti, Roothaan-Hartree-Fock atomic wavefunctions ,(1974)
R. S. Mulliken, Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I The Journal of Chemical Physics. ,vol. 23, pp. 1833- 1840 ,(1955) , 10.1063/1.1740588
H. B. Michaelson, Relation between an atomic electronegativity scale and the work function Ibm Journal of Research and Development. ,vol. 22, pp. 72- 80 ,(1978) , 10.1147/RD.221.0072
A Breeze, P G Perkins, On the electronic structure and Fermi surface of YZn alloy Journal of Physics F: Metal Physics. ,vol. 5, pp. 255- 260 ,(1975) , 10.1088/0305-4608/5/2/009
C. Weigel, C. A. J. Ammerlaan, Iterative EHT calculations for the positive divacancy in silicon Physica Status Solidi (b). ,vol. 94, pp. 505- 516 ,(1979) , 10.1002/PSSB.2220940221
Roger C. Baetzold, Calculated Properties of Metal Aggregates. I. Diatomic Molecules The Journal of Chemical Physics. ,vol. 55, pp. 4355- 4363 ,(1971) , 10.1063/1.1676760