Energy-band structure of the A(Sn{sub 1-x}M{sub x})O{sub 3} (A = Ca, Sr, Ba; M = Mn, Fe, Co) perovskite-type phases: A search for new magnetic semimetals
- Russian Academy of Sciences, Institute of Solid-State Chemistry, Ural Division (Russian Federation)
The full-potential LAPW method in the local spin-density approximation (LSDA) is applied to the theoretical search for new magnetic semimetals on the basis of a nonmagnetic SrSnO{sub 3} semiconductor doped with magnetic ions M = Mn, Fe, Co. It is found that, in contrast to Sr{sub 2}SnMnO{sub 6} (a ferromagnetic semiconductor) and Sr{sub 2}SnCoO{sub 6} (a ferromagnetic metal), Sr{sub 2}SnFeO{sub 6} perovskite is a ferromagnetic semimetal: its electronic spectrum has a band gap ({approx}0.7 eV) for the low-spin subsystem and is metal-type for the high-spin subsystem. For isoelectronic analogs SrSnO{sub 3}-CaSnO{sub 3} and BaSnO{sub 3}, it is shown that their doping by iron (Ca{sub 2}SnFeO{sub 6} and Ba{sub 2}SnFeO{sub 6} compositions) also makes it possible to realize the semimetal state of these systems. It is assumed that A(Sn{sub 1-x}Fe{sub x})O{sub 3} (A = Ca, Sr, Ba) solid solutions can become the first representatives of a new group of materials for spin electronics.
- OSTI ID:
- 21088645
- Journal Information:
- Semiconductors, Vol. 40, Issue 11; Other Information: DOI: 10.1134/S1063782606110030; Copyright (c) 2006 Nauka/Interperiodica; Article Copyright (c) 2006 Pleiades Publishing, Inc; Country of input: International Atomic Energy Agency (IAEA); ISSN 1063-7826
- Country of Publication:
- United States
- Language:
- English
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