Abstract
The validity of the so-called force theorem is critical for the computational/theoretical determination of the magnetocrystalline anisotropy (MCA) in the framework of local density theory. This theorem states that the spin-orbit coupling induced MCA energy is given by the difference in the fully relativistic band energies between two magnetization directions calculated with the same self-consistent scalar-relativistic potential. We show that the charge-and spin-density variations caused by spin-orbit coupling vanish to first order in the spin-orbit coupling strength. By the stationary property of the total energy functional, we establish rigorously the validity of the force theorem for surface/interface MCA. We show that our arguments also apply to a variant of the MCA force theorem and discuss problems of applying the force theorem for MCA in bulk systems with cubic crystalline symmetry.
| Original language | English |
|---|---|
| Pages (from-to) | 337-341 |
| Number of pages | 5 |
| Journal | Journal of Magnetism and Magnetic Materials |
| Volume | 159 |
| Issue number | 3 |
| DOIs | |
| Publication status | Published - Jul 1996 |
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ASJC Scopus subject areas
- Condensed Matter Physics
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Validity of the force theorem for magnetocrystalline anisotropy. / Wang, Xindong; Wang, Ding Sheng; Ruqian, Wu; Freeman, Arthur J.
In: Journal of Magnetism and Magnetic Materials, Vol. 159, No. 3, 07.1996, p. 337-341.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Validity of the force theorem for magnetocrystalline anisotropy
AU - Wang, Xindong
AU - Wang, Ding Sheng
AU - Ruqian, Wu
AU - Freeman, Arthur J
PY - 1996/7
Y1 - 1996/7
N2 - The validity of the so-called force theorem is critical for the computational/theoretical determination of the magnetocrystalline anisotropy (MCA) in the framework of local density theory. This theorem states that the spin-orbit coupling induced MCA energy is given by the difference in the fully relativistic band energies between two magnetization directions calculated with the same self-consistent scalar-relativistic potential. We show that the charge-and spin-density variations caused by spin-orbit coupling vanish to first order in the spin-orbit coupling strength. By the stationary property of the total energy functional, we establish rigorously the validity of the force theorem for surface/interface MCA. We show that our arguments also apply to a variant of the MCA force theorem and discuss problems of applying the force theorem for MCA in bulk systems with cubic crystalline symmetry.
AB - The validity of the so-called force theorem is critical for the computational/theoretical determination of the magnetocrystalline anisotropy (MCA) in the framework of local density theory. This theorem states that the spin-orbit coupling induced MCA energy is given by the difference in the fully relativistic band energies between two magnetization directions calculated with the same self-consistent scalar-relativistic potential. We show that the charge-and spin-density variations caused by spin-orbit coupling vanish to first order in the spin-orbit coupling strength. By the stationary property of the total energy functional, we establish rigorously the validity of the force theorem for surface/interface MCA. We show that our arguments also apply to a variant of the MCA force theorem and discuss problems of applying the force theorem for MCA in bulk systems with cubic crystalline symmetry.
UR - http://www.scopus.com/inward/record.url?scp=0030564247&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0030564247&partnerID=8YFLogxK
U2 - 10.1016/0304-8853(95)00936-1
DO - 10.1016/0304-8853(95)00936-1
M3 - Article
AN - SCOPUS:0030564247
VL - 159
SP - 337
EP - 341
JO - Journal of Magnetism and Magnetic Materials
JF - Journal of Magnetism and Magnetic Materials
SN - 0304-8853
IS - 3
ER -