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On surface states of transition metal carbides, nitrides, and oxides: (001), (011), and (111) surfaces
Author(s) -
Pick Štěpán,
Tomášek Mojmír
Publication year - 1989
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.560360207
Subject(s) - nitride , carbide , transition metal , materials science , metal , surface (topology) , crystal (programming language) , symmetry (geometry) , surface energy , chemical physics , chemistry , metallurgy , nanotechnology , catalysis , composite material , geometry , biochemistry , mathematics , layer (electronics) , computer science , programming language
The simple semiquantitative approach to the calculation of the energy of surface states, proposed recently by the authors, is applied to high‐symmetry surfaces of selected transition metal carbides, nitrides, and oxides. The results are compared with recent experimental and theoretical data. The necessity to include the changes in the potential at the crystal surface is indicated.