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Projected surface energy bands, Shockley surface states, and bonding in transition‐metal monocompounds with rock‐salt structure: Example of NbC
Author(s) -
Tomášek Mojmír,
Pick Štěpán
Publication year - 1980
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560170610
Subject(s) - chemisorption , surface (topology) , transition metal , surface states , niobium , metal , condensed matter physics , carbide , materials science , chemical physics , chemistry , catalysis , metallurgy , physics , geometry , biochemistry , mathematics
The qualitative theory of Shockley surface states is used to discuss the existence of surface states on three faces of niobium carbide: (001), (011), and (111). The results obtained for NbC are generalized to include other simple transition metal compounds MX , X = C, N, O. Surface states of these and related materials are of interest in chemisorption and catalysis. The qualitative theory of Shockley states appears to be useful tool in detecting strong covalency effects in solids.