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Title: The semi-empirical tight-binding model for carbon allotropes “between diamond and graphite”

The new carbon allotropes “between diamond and graphite” have come under intensive examination during the last decade due to their numerous technical applications. The modification of energy gap in thin films of these allotropes was studied experimentally using optical methods. The proposed simple model of carbon clusters with variable lengths of chemical bonds allows us to imitate the transfer from diamond and diamond-like to graphite-like structures, as well as the corresponding modification of hybridization sp{sup 3}/sp{sup 2} for diamond-like and sp{sub z} for graphite-like phases. This enables us to estimate various allotropes parameters, like the gap E{sub g}, energies of valence E{sub v}, and conduction E{sub c} band edges, and the value of electronic affinity, i.e., optical work function X, which are all of practical importance. The obtained estimations correspond to the experimental data.
Authors:
; ;  [1]
  1. Institute of Semiconductor Physics, NAS of Ukraine, Pr. Nauky 41, Kyiv 03028 (Ukraine)
Publication Date:
OSTI Identifier:
22304487
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 115; Journal Issue: 24; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ALLOTROPY; CARBON; CHEMICAL BONDS; DIAMONDS; ENERGY GAP; GRAPHITE; MODIFICATIONS; THIN FILMS; VALENCE; WORK FUNCTIONS