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.
%0 Journal Article
%1 dutoit2015chargeordering
%A Dutoit, C.-E
%A Bertaina, S.
%A Orio, M.
%A Dressel, M.
%A Stepanov, A.
%B Low Temperature Physics
%D 2015
%I American Institute of Physics
%J LOW TEMPERATURE PHYSICS
%K charge-ordering materials organic
%N 11
%P 942-944
%R 10.1063/1.4934549
%T Charge-ordering induces magnetic axes rotation in organic materials (TMTTF)2X (with X = SbF6, AsF6, and PF6)
%U https://doi.org/10.1063/1.4934549
%V 41
%X 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.
@article{dutoit2015chargeordering,
abstract = {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.},
added-at = {2018-03-06T14:26:01.000+0100},
author = {Dutoit, C.-E and Bertaina, S. and Orio, M. and Dressel, M. and Stepanov, A.},
biburl = {https://puma.ub.uni-stuttgart.de/bibtex/2181755e482c17b9f174a816504dcc834/ulrikeoffenbeck},
booktitle = {Low Temperature Physics},
comment = {doi: 10.1063/1.4934549},
doi = {10.1063/1.4934549},
interhash = {84d5a215a930245063ed664398f2d550},
intrahash = {181755e482c17b9f174a816504dcc834},
issn = {1063777X},
journal = {LOW TEMPERATURE PHYSICS},
keywords = {charge-ordering materials organic},
month = nov,
number = 11,
pages = {942-944},
publisher = {American Institute of Physics},
timestamp = {2018-03-06T13:36:35.000+0100},
title = {Charge-ordering induces magnetic axes rotation in organic materials (TMTTF)2X (with X = SbF6, AsF6, and PF6)},
url = {https://doi.org/10.1063/1.4934549},
volume = 41,
year = 2015
}
