Issue |
Europhys. Lett.
Volume 67, Number 1, July 2004
|
|
---|---|---|
Page(s) | 63 - 69 | |
Section | Condensed matter: electronic structure, electrical, magnetic, and optical properties | |
DOI | https://doi.org/10.1209/epl/i2003-10272-2 | |
Published online | 01 June 2004 |
, an orbital-ordered system?
1
S.N. Bose National Centre for Basic Sciences, JD Block, Sector 3 Salt Lake City, Kolkata 700098, India
2
Institut für Theoretische Physik, Universität Frankfurt - D-60054 Frankfurt, Germany
3
Max-Planck Institute for Chemical Physics of Solids - D-01187 Dresden, Germany
4
Theoretische Physik, Universtät des Saarlandes - D-66041 Saarbrücken, Germany
Received:
2
December
2003
Accepted:
26
April
2004
We present first-principles density-functional calculations and
downfolding studies of the electronic and magnetic properties of
the layered quantum spin system . We discuss
explicitly the nature of the exchange paths and the concept of
orbital ordering in this material. An analysis of the
electronic structure of slightly distorted structures according
to various phonon modes allowed in this material suggests that
this system may be subject to orbital fluctuations driven by the
electron-phonon coupling.
PACS: 71.20.-b – Electron density of states and band structure of crystalline solids / 71.10.-w – Theories and models of many-electron systems / 71.20.Be – Transition metals and alloys
© EDP Sciences, 2004
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