corner
corner
APS » Journals » Phys. Rev. Lett. » Volume 105 » Issue 3
< Previous Article | Next Article >

Phys. Rev. Lett. 105, 036401 (2010) [4 pages]

Interplay between Structural, Electronic, and Magnetic Degrees of Freedom in Sr3Cr2O8

Download: PDF (805 kB) Buy this article Export: BibTeX or EndNote (RIS)

G. Radtke1,*, A. Saúl2, H. A. Dabkowska3, G. M. Luke3,4,5, and G. A. Botton6,7
1IM2NP, UMR 6242 CNRS, Faculté des Sciences de Saint-Jérôme, Case 262, 13397 Marseille cedex 20, France
2CINaM, UPR 3118 CNRS, Campus de Luminy, case 913, 13288 Marseille cedex 9, France
3Brockhouse Institute for Materials Research, McMaster University, Hamilton, Ontario, Canada, L8S 4M1
4Department of Physics and Astronomy, McMaster University, Hamilton, Ontario, Canada, L8S 4C6
5Canadian Institute of Advanced Research, Toronto, Ontario, Canada, M5G 1Z8
6Department of Materials Science and Engineering, McMaster University, Hamilton, Ontario, Canada, L8S 4M1
7Canadian Centre for Electron Microscopy, McMaster University, Hamilton, Ontario, Canada, L8S 4M1

Received 11 March 2010; published 12 July 2010

We present a theoretical investigation of the orbital ordering occurring in Sr3Cr2O8 based on density functional theory calculations. We demonstrate that the strong electron correlation arising within the Cr-3d shell can clearly explain both the phase transition leading to the stabilization of its monoclinic C2/c space-group symmetry and its spin-singlet magnetic ground state. The relevance of the electronic structure determined theoretically is further established by comparison to high-resolution electron energy loss spectroscopy measurements.

© 2010 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.105.036401
DOI:
10.1103/PhysRevLett.105.036401
PACS:
71.27.+a, 75.30.Et, 79.20.Uv

*guillaume.radtke@im2np.fr

 
< Previous Article | Next Article >