Comparison of the electronic structures of the BEDT-TTF4 MCN4 M = Ni, Pt and BEDT-TTF4 MC2O42 M = Pt, Cu salts. Structural requirements for hidden Fermi surface nestingReportar como inadecuado




Comparison of the electronic structures of the BEDT-TTF4 MCN4 M = Ni, Pt and BEDT-TTF4 MC2O42 M = Pt, Cu salts. Structural requirements for hidden Fermi surface nesting - Descarga este documento en PDF. Documentación en PDF para descargar gratis. Disponible también para leer online.



Abstract : The BEDT-TTF4 MCN4 M = Ni, Pt and BEDT-TTF4 MC2O42 M = Pt, Cu salts are metallic at room temperature but exhibit metal-to-semiconductor transitions at lower temperatures. Their electronic structures have been studied by performing tight-binding band structure calculations on their cationic sublattices. All of these salts possess electron and hole Fermi surfaces, in agreement with their metallic character at room temperature. Although the calculated Fermi surfaces for the two series of salts are not very different, the analysis of their crystal structures suggests that the BEDT-TTF4 MC2O44 M = Pt, Cu salts should have a more anisotropic character than the BEDT-TTF4 MCN4 M = Ni, Pt ones. The analogy between the crystal and electronic structures of the BEDT-TTF4 M C2O42 M = Pt, Cu and the BEDT-TTF2ReO4 salts, and the fact that the shape of the Fermi surface of BEDT-TTF4 PtCN4 does not change appreciably when the temperature is lowered, suggest that the metal-to-semiconductor transition is due to a Peierls type mechanism for BEDT-TTF4 MC2O42 M = Pt, Cu but not for BEDT-TTF4 M CN4 M = Ni, Pt. The occurrence of a Peierls transition in the BEDT-TTF4 MC2O42 M = Pt, Cu salts is explained in terms of hidden Fermi surface nesting.





Autor: James Martin Marie-Liesse Doublet Enric Canadell

Fuente: https://hal.archives-ouvertes.fr/



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