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Degeneracy lifting in graphite and boron nitride: A perturbational approach
Author(s) -
Lafemina John P.,
Lowe John P.
Publication year - 1986
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.560300606
Subject(s) - boron nitride , transferability , degeneracy (biology) , graphite , perturbation theory (quantum mechanics) , boron , nitride , context (archaeology) , chemistry , perturbation (astronomy) , fermi level , materials science , computational chemistry , physics , condensed matter physics , quantum mechanics , nanotechnology , mathematics , metallurgy , electron , bioinformatics , organic chemistry , paleontology , statistics , logit , layer (electronics) , biology
The degeneracy lifting in the pi bands, near the Fermi energy, for two‐ and three‐dimensional graphites and boron nitride are qualitatively determined, without calculation, using first‐order perturbation theory and the concept of transferability. The relationships between the band diagrams for several three‐dimensional modifications of graphite and boron nitride are presented in a simple orbital context.