Anisotropy of bond projections in simple crystal structures

0369775 - FZÚ 2012 RIV US eng J - Článek v odborném periodiku
Šimůnek, Antonín
Anisotropy of bond projections in simple crystal structures.
Physical Review. B. Roč. 84, č. 13 (2011), 132106/1-132106/4. ISSN 1098-0121
Grant CEP: GA ČR(CZ) GAP108/11/0853
Výzkumný záměr: CEZ:AV0Z10100521
Klíčová slova: anisotropy * bond projection
Kód oboru RIV: BM - Fyzika pevných látek a magnetismus
Impakt faktor: 3.691, rok: 2011

The nearest-neighbor bond distances represented by the stick-and-ball model of a crystal are projected into planes in order to find the directions from where the projections have maximum or minimum values. The projection directions and their corresponding values of the maxima and minima are presented for simple cubic, body-centered-cubic, face-centered-cubic, sodium chloride, zinc sulfide, diamond, fluorite, cesium chloride, hexagonal close-packed, tungsten carbide, wurtzite, graphite, graphene, and aluminum boride structures. The purely geometrical considerations quantitatively reflect an anisotropy of the bond projections and provide data for a large amount of materials crystallizing in these structures. The presented results can be applied to the description, analysis, and understanding of anisotropic effects related to bond projection in 14 crystal structures.
Trvalý link: http://hdl.handle.net/11104/0203766