SYMMETRICAL TRANSFORMATION OF BASIC TRANSLATION VECTORS IN THE SUPERCELL MODEL OF IMPERFECT CRYSTALS AND IN THE THEORY OF SPECIAL POINTS OFTHE BRILLOUIN-ZONE
Ra. Evarestov et Vp. Smirnov, SYMMETRICAL TRANSFORMATION OF BASIC TRANSLATION VECTORS IN THE SUPERCELL MODEL OF IMPERFECT CRYSTALS AND IN THE THEORY OF SPECIAL POINTS OFTHE BRILLOUIN-ZONE, Journal of physics. Condensed matter, 9(14), 1997, pp. 3023-3031
The matrices of the symmetrical transformations for all the three-dime
nsional Bravais lattices are found. These matrices may be applied for
the investigation of physical properties of single defects in crystals
in the supercell model. The corresponding transformations of reciproc
al lattices with a not more than 32-fold decrease of the Brillouin zon
e volume are used for the generation of special point sets for the app
roximative numerical integration over the Brillouin zone in cubic crys
tals with simple, face-centred and body-centred lattices.