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

Journal Article · Sat Jun 28 04:00:00 EDT 2014 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.4885060· OSTI ID:22304487

Lytovchenko, V.; Kurchak, A.

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.

• OSTI ID: 22304487
• Journal Information: Journal of Applied Physics, Journal Name: Journal of Applied Physics Journal Issue: 24 Vol. 115; ISSN JAPIAU; ISSN 0021-8979
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ALLOTROPY
CARBON
CHEMICAL BONDS
DIAMONDS
ENERGY GAP
GRAPHITE
MODIFICATIONS
THIN FILMS
VALENCE
WORK FUNCTIONS