Charge-ordering induces magnetic axes rotation in organic materials (TMTTF)₂X (with X = SbF₆, AsF₆, and PF₆)

Autor: Dutoit, C.-E., Bertaina, S., Orio, M., Dressel, M., Stepanov, A.
Jazyk: angličtina
Rok vydání: 2015
Předmět:
Popis: We have performed a comprehensive EPR investigation of the quasi-one-dimensional organic systems (TMTTF)₂X with centrosymmetrical anions X (X = SbF₆, AsF₆, and PF₆). We observe a strong rotation of g-factor principal axes when the temperature decreases below charge-ordering temperature TCO. The possible origin of this rotation is analyzed on the basis of quantum chemical calculations performed using density functional theory method. A good agreement between theory and experiment is found.
Databáze: OpenAIRE