Electronic and magnetic properties of layered colossal magnetoresistive oxides: La{sub 1+2x}Sr{sub 2-2x}Mn{sub 2}O{sub 7}
Journal Article
·
· Physical Review B
The electronic and magnetic properties of double-layered Roddlesdon-Popper compounds, La{sub 1+2x}Sr{sub 2-2x}Mn{sub 2}O{sub 7} with different doping x from 0.0 to 0.2 have been calculated using the full-potential linear muffin-tin orbital method. The total energies, band structures, densities of states, and Fermi surfaces were investigated by means of the virtual crystal approximation. The band structure of La{sub 1+2x}Sr{sub 2-2x}Mn{sub 2}O{sub 7} is found to be that of a half-metallic ferromagnet, in agreement with experiment. The density of states shows that La and Sr act solely as electron donors and have almost no states at or below the Fermi level, and therefore a rigid band approximation can be considered as a good approximation to describe the effects of doping. The calculated Mn magnetic moments increase from 3.09{mu}{sub B} to 3.24{mu}{sub B} when the doping increases from 0.0 to 0.2, which is in qualitative agreement with experiment. The calculated Fermi surface shows pronounced nesting features along the {Gamma}-X directions in the undoped case, which implies a possible charge- or spin-density wave instability in this material.
- Sponsoring Organization:
- (US)
- OSTI ID:
- 40205643
- Journal Information:
- Physical Review B, Journal Name: Physical Review B Journal Issue: 20 Vol. 62; ISSN 0163-1829
- Publisher:
- The American Physical Society
- Country of Publication:
- United States
- Language:
- English
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