TY - JOUR
T1 - Orbital correlation and magnetocrystalline anisotropy in one-dimensional transition-metal systems
AU - Zhou, Lei
AU - Wang, Dingsheng
AU - Kawazoe, Yoshiyuki
N1 - Copyright:
Copyright 2017 Elsevier B.V., All rights reserved.
PY - 1999
Y1 - 1999
N2 - Through both a general argument and numerical calculations based on a self-consistent tight-binding LDA+U approach, it is shown that orbital correlation (OC) has more crucial effects in one-dimensional transition metal systems than in bulk crystals by leading to orbital polarized ground states and changing the magnetocrystalline anisotropy (MCA) properties fundamentally. Compared with previous results without OC, present inclusion of OC has also predicted strong MCA energy but with usually different easy axis, and has suppressed the recently predicted strong MCA oscillations with respect to the chain length.
AB - Through both a general argument and numerical calculations based on a self-consistent tight-binding LDA+U approach, it is shown that orbital correlation (OC) has more crucial effects in one-dimensional transition metal systems than in bulk crystals by leading to orbital polarized ground states and changing the magnetocrystalline anisotropy (MCA) properties fundamentally. Compared with previous results without OC, present inclusion of OC has also predicted strong MCA energy but with usually different easy axis, and has suppressed the recently predicted strong MCA oscillations with respect to the chain length.
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U2 - 10.1103/PhysRevB.60.9545
DO - 10.1103/PhysRevB.60.9545
M3 - Article
AN - SCOPUS:0001504210
VL - 60
SP - 9545
EP - 9549
JO - Physical Review B - Condensed Matter and Materials Physics
JF - Physical Review B - Condensed Matter and Materials Physics
SN - 0163-1829
IS - 13
ER -