Density Functional Approach under External Magnetic Field

Density Functional Approach under External Magnetic Field

We implemented a density functional scheme that enables application of a uniform external magnetic field. In the implementation, the rotation of the magnetic moment on an atom/molecule was described using a scheme for a non-collinear magnetic configuration. The new scheme was successfully applied to...

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Veröffentlicht in:Journal of the Physical Society of Japan 2020-03, Vol.89 (3), p.35002
Hauptverfasser: Rio, Afrioni Roma, Pardede, Indra, Gani, Achmad Maulana, Christivana, Mega, Obata, Masao, Oda, Tatsuki
Format: Artikel
Sprache:eng
Schlagworte:
Antiferromagnetism
Density
Ferromagnetic materials
Magnetic anisotropy
Magnetic fields
Magnetic moments
Magnetism
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Zusammenfassung:We implemented a density functional scheme that enables application of a uniform external magnetic field. In the implementation, the rotation of the magnetic moment on an atom/molecule was described using a scheme for a non-collinear magnetic configuration. The new scheme was successfully applied to a ferromagnetic slab with a perpendicular magnetic anisotropy and an antiferromagnetic material.
ISSN:0031-9015
1347-4073
DOI:10.7566/JPSJ.89.035002