Sarma, DD and Shanthi, N and Mahadevan, Priya (1994) Electronic structure and the metal-insulator transition in $LnNiO_3$ (Ln = La, Pry Nd, Sm and Ho): band structure results. In: Journal of Physics: Condensed Matter, 6 (48). pp. 10467-10474.
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We report detailed band structure results on the series $LnNiO_3$ with Ln = La, PI,Nd. Sm and Ho. $LaNiO_3$ is shown to be a pd metal. expected to be close to localization due to correlation effects; the other four compounds are suggested to be covalent insulators. There is a systematic reduction in the bandwidths with increasing atomic number of the rare-earth ion. Using a tight-binding analysis of the nb initio results, the reduction in the bandwidth is related to the changes in the interduster hopping interaction strengths arising from the suuctural changes driven by the lanthanide cantraction across the series.
|Item Type:||Journal Article|
|Additional Information:||The copyright of this article belongs to Institute of Physics.|
|Department/Centre:||Division of Chemical Sciences > Solid State & Structural Chemistry Unit|
|Date Deposited:||06 Jul 2006|
|Last Modified:||19 Sep 2010 04:29|
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