Volume 88, Number 2, October 2009
Article Number 27002
Number of page(s) 5
Section Condensed Matter: Electronic Structure, Electrical, Magnetic and Optical Properties
Published online 06 November 2009
EPL, 88 (2009) 27002
DOI: 10.1209/0295-5075/88/27002

Study of magnetic interactions in a geometrically frustrated compound, Sr3NiPtO6, using density functional approach

Sudhir K. Pandey and Kalobaran Maiti

Department of Condensed Matter Physics and Materials Science, Tata Institute of Fundamental Research Homi Bhabha Road, Colaba, Mumbai - 400 005, India

received 8 July 2009; accepted in final form 8 October 2009; published October 2009
published online 6 November 2009

We investigate the electronic structure of Sr3NiPtO6 using ab initio calculations. This compound is a geometrically frustrated insulator and does not show long-range order down to 1.8 K measured; a signature of spin-liquid-like behavior. Electronic band structure calculation within the local spin density approximations in our study reveals an insulating ground state in Sr3NiPtO6 unlike analogous compounds in this family. The Ni moment is found to be large and the intra-chain coupling favors antiferromagnetic ordering. These results establish the importance of intra-chain antiferromagnetic interaction in addition to geometrical frustration to derive the ground-state properties.

75.30.Et - Magnetic properties and materials: exchange and superexchange interactions.
75.50.Mm - Magnetic properties and materials: magnetic liquids.
71.70.Gm - Electronic structure of bulk materials: exchange interactions.

© EPLA 2009