Electronic structure and mechanical stability of the graphitic honeycomb lattice | Zendy

Noejung Park | Zendy; Jisoon Ihm | Zendy

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Electronic structure and mechanical stability of the graphitic honeycomb lattice

Author(s) -

Noejung Park,

Jisoon Ihm

Publication year - 2000

Publication title -

physical review. b, condensed matter

Language(s) - English

Resource type - Journals

eISSN - 1095-3795

pISSN - 0163-1829

DOI - 10.1103/physrevb.62.7614

Subject(s) - pseudopotential , zigzag , materials science , condensed matter physics , electronic structure , lattice (music) , electronic band structure , carbon nanotube , hexagonal crystal system , crystal structure , ab initio quantum chemistry methods , structural stability , ab initio , honeycomb structure , perpendicular , band gap , tight binding , hexagonal lattice , crystallography , nanotechnology , physics , geometry , composite material , molecule , chemistry , mathematics , structural engineering , quantum mechanics , antiferromagnetism , acoustics , engineering

A family of crystal structures of carbon composed of alternating sp2 and sp3 bonds is investigated. Graphitic strips are connected by sp3 bonds to form an array of hexagonal pillars exhibiting a honeycomb lattice in the perpendicular plane. The electronic structure and elastic properties of this family of structures are calculated using an ab initio pseudopotential as well as the environment-dependent tight-binding method. Their electronic structure has a similar size dependence to zigzag nanotubes; they are metallic if twice the strip width is a multiple of three hexagonal units, and otherwise semiconducting with a wider range of the band gap than for carbon nanotubes. The structural stability is studied and compared with other carbon structures.open252

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