Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
Special points for calculating integrals over the primitive cell of a periodic system. / Evarestov, R. A.; Smirnov, V. P.
в: Physics of the Solid State, Том 46, № 7, 07.2004, стр. 1213-1224.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - Special points for calculating integrals over the primitive cell of a periodic system
AU - Evarestov, R. A.
AU - Smirnov, V. P.
PY - 2004/7
Y1 - 2004/7
N2 - A method is proposed for constructing appropriate sets of special points in the Brillouin zone in which the extended unit cell method is used with a subsequent shift from the center of the reduced Brillouin zone. The proposed method offers several advantages over the commonly used Monkhorst-Pack method. The difference in the construction of sets of special points for the direct and reciprocal lattices is discussed for crystals belonging to a nonsymmorphic space group. The cases of a planar square lattice and an fee lattice are considered to illustrate general results.
AB - A method is proposed for constructing appropriate sets of special points in the Brillouin zone in which the extended unit cell method is used with a subsequent shift from the center of the reduced Brillouin zone. The proposed method offers several advantages over the commonly used Monkhorst-Pack method. The difference in the construction of sets of special points for the direct and reciprocal lattices is discussed for crystals belonging to a nonsymmorphic space group. The cases of a planar square lattice and an fee lattice are considered to illustrate general results.
UR - http://www.scopus.com/inward/record.url?scp=4444314738&partnerID=8YFLogxK
U2 - 10.1134/1.1778445
DO - 10.1134/1.1778445
M3 - Article
AN - SCOPUS:4444314738
VL - 46
SP - 1213
EP - 1224
JO - Physics of the Solid State
JF - Physics of the Solid State
SN - 1063-7834
IS - 7
ER -
ID: 84354365