Electronic structure and electric field gradient of RIn3 and RTIn5 (R = La and Ce, T = Co, Rh and Ir)

The electronic structures for RIn3 and RTIn5 (R = La and Ce, T = Co, Rh and Ir) are clarified by calculations based on the FLAPW method. A Fermi surface of CeIn3 under high pressure and the electric field gradients for the above compounds are presented. The results for RIn3 indicate the similarity of electron density distributions near In nuclei between LaIn3 and CeIn3. Those for RTIn5 could explain the trend reflecting the transition at the T-site. (C) 2003 Elsevier B.V. All rights reserved.