Download Electronic Structure and Magnetism of Complex Materials by S. Halilov (auth.), Dr. David J. Singh, Dr. Dimitrios A. PDF

By S. Halilov (auth.), Dr. David J. Singh, Dr. Dimitrios A. Papaconstantopoulos (eds.)

Recent advancements in digital constitution concept have resulted in a brand new figuring out of magnetic fabrics on the microscopic point. this permits a really first-principles method of investigations of technologically vital magnetic fabrics. between those advances were functional schemes for dealing with non-collinear magnetic structures, together with relativity, knowing of the origins and position of orbital magnetism inside band constitution formalisms, density practical ways for magnons and low-lying spin excitations, realizing of the interaction of orbital, spin and lattice orderings in complicated oxides, shipping theories for layered structures, and the idea of magnetic interactions in doped semiconductors. The ebook covers those fresh advancements with overview articles through a number of the major originators of those advances.

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24. The magnon spectrum of Er: Upper panel - calculated spectrum for the conical magnetic ground state. Lower panel - the calculated and experimental [83] dispersion along the (OOq)-direction in the double-zone is shown 48 S. Halilov 2 >' ! , ~ """ MK r A L H A Fig. 25. Theoretical magnon spectrum of Tm, ferromagnetic phase adjustment of the crystal-field anisotropy, which appears as ascale factor in the dispersion relation. 73) is not complete and the two-ion anisotropy terms, not included in the present treatment, could improve the situation.

3. Magnetocrystalline anisotropy parameters ~lm (theoretical [85] and experimental [63]) in the common spherical harmonics notation. m == s + S + L stands for the total momentum per atom (meV/atom) 60 m2 exp. Tb Dy Ho Er Tm theor. ~4om4 exp. 74 theor. 100 x ~6om6 exp. ~66m6 exp. 95 theor. 3 18 9 -31 theor. 29 within the DFT approach. The latter demands an independent calculation by means of at least a fuII-potential code. Where possible, we used available experimental data for the crystal-field parameters [63], otherwise the values reported in [85J were used.

In the case of the lanthanide group, the huge intrasite exchange of the shielded 4f electrons of the order of 5 eV lifts up the degeneracy in spin, and assisted by the SOl lifts up the degeneracy in the azimuthaI numbers, thus producing a considerable orbital moment. At the same time, the 4f-electron exchange field causes the outershell conduction electrons to become spin-polarized. Therefore, the low-energy moment dynamics of the REMs may be viewed as a kind of fusion between the localized 4f-projected spin and orbital moments and the nickel-type itinerant magnetic electrons.

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