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Electron state associated with the unreconstructed (111) surface in diamond
Author(s) -
Persson Astrid
Publication year - 1982
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221140234
Subject(s) - pseudopotential , diamond , surface (topology) , surface states , electron , materials science , atomic physics , atom (system on chip) , condensed matter physics , molecular physics , chemistry , physics , geometry , quantum mechanics , mathematics , metallurgy , computer science , embedded system
A calculation of the electron states associated with the unreconstructed (111) diamond surface is performed using Slater‐Koster parameters evaluated from first principles. The calculation gives a surface band in the lower half of the band gap. Close agreement with a self‐consistent pseudopotential calculation is found when the matrix elements of the surface atom is modified to contain non‐spherical parts of the potential.