Посилання:Electronic structure and x-ray magnetic circular dichroism in uranium monochalcogenides / N. Antonov, B.N. Harmon, O.V. Andryushchenko, L.V. Bekenev, A.N. Yaresko // Физика низких температур. — 2004. — Т. 30, № 4. — С. 411-426. — Бібліогр.: 89 назв. — англ.
Підтримка:This work was carried out at the Ames Laboratory,
which is operated for the U.S. Department of
Energy by Iowa State University under Contract
No. W-7405-82. This work was supported by the Office
of Basic Energy Sciences of the U.S. Department
of Energy.
V.N. Antonov gratefully acknowledges the hospitality
at Ames Laboratory during his stay.
The electronic structure and x-ray magnetic circular dichroism (XMCD) spectra of US, USe,
and UTe are investigated theoretically from first principles, using the fully relativistic Dirac
LMTO band structure method. The electronic structure is obtained with the local spin-density approximation
(LSDA), as well as with a generalization of the LSDA+U method which takes into account
that in the presence of spin–orbit coupling the occupation matrix of localized electrons becomes
non-diagonal in spin indexes. The origin of the XMCD spectra in the compounds is
examined.