4.4 Article

Structural and electronic features of BaIrO3 causing the simultaneous occurrence of weak ferromagnetism and charge density wave formation

Journal

SOLID STATE COMMUNICATIONS
Volume 118, Issue 10, Pages 491-495

Publisher

PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/S0038-1098(01)00166-1

Keywords

metals; electron-electron interactions; electron-phonon interactions

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The ferromagnetic transition of BaIrO3 at 175 K is accompanied by charge density wave formation [Solid State Commun. 113 (2000) 657]. We examined the probable cause for this observation on the basis of tight-binding band electronic structure calculations for BaIrO3. In support of the experimental observation, our calculations show that BaIrO3 should be regarded as a weakly localized metal above 175 K, its t(2g)-block band density of states has a sharp peak at the Fermi level, and its Fermi surfaces have partially nested pieces. (C) 2001 Published by Elsevier Science Ltd.

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