Abstract
Energy bands of the simple cubic intermetallic compounds LaAg and LaCd have been calculated by using both a non-relativistic APW and relativistic KKR method in the muffin-tin-potential approximation. The density of states of LaAg is found to peak sharply just above the Fermi energy and the Fermi surface geometry shows that in this high density-of-states region the conditions are met for the band-Jahn-Teller-effect to drive the martensitic transformation observed in LaAg1_x In x ,x >0.05, and in LaCd. The case of YZn, which shows no martensitic transformation, is discussed briefly.
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Hasegawa, A., Bremicker, B. & Kübler, J. Energy bands of LaAg and LaCd and martensitic transformation. Z Physik B 22, 231–236 (1975). https://doi.org/10.1007/BF01362244
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DOI: https://doi.org/10.1007/BF01362244