Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
Magnetism of Cr surface defects. / Yartseva, N. S.; Yartsev, S. V.; Demangeat, C.; Uzdin, V. M.; Parlebas, J. C.
в: Journal of Molecular Structure: THEOCHEM, Том 777, № 1-3, 30.11.2006, стр. 29-33.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - Magnetism of Cr surface defects
AU - Yartseva, N. S.
AU - Yartsev, S. V.
AU - Demangeat, C.
AU - Uzdin, V. M.
AU - Parlebas, J. C.
PY - 2006/11/30
Y1 - 2006/11/30
N2 - Magnetic moment distribution in Cr(0 0 1) and Cr(1 1 0) films with strips and random defects at surface are calculated in the framework of a periodic Anderson model. All Cr(0 0 1) films reveal an appreciable surface magnetic moment the value of which depends on the type of defect. The film with flat Cr(1 1 0) surface does not exhibit any magnetization because of an equal number of atoms with opposite moments. Only well-ordered defects like one atom strips can give a noticeable magnetization in Cr(1 1 0) films.
AB - Magnetic moment distribution in Cr(0 0 1) and Cr(1 1 0) films with strips and random defects at surface are calculated in the framework of a periodic Anderson model. All Cr(0 0 1) films reveal an appreciable surface magnetic moment the value of which depends on the type of defect. The film with flat Cr(1 1 0) surface does not exhibit any magnetization because of an equal number of atoms with opposite moments. Only well-ordered defects like one atom strips can give a noticeable magnetization in Cr(1 1 0) films.
KW - Chromium
KW - Cr surface defects
KW - Cr surface magnetism
UR - http://www.scopus.com/inward/record.url?scp=33750512779&partnerID=8YFLogxK
U2 - 10.1016/j.theochem.2006.08.015
DO - 10.1016/j.theochem.2006.08.015
M3 - Article
AN - SCOPUS:33750512779
VL - 777
SP - 29
EP - 33
JO - Computational and Theoretical Chemistry
JF - Computational and Theoretical Chemistry
SN - 2210-271X
IS - 1-3
ER -
ID: 40257538