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| DOI | 10.1039/D0QI00487A | ||||
| Año | 2020 | ||||
| Tipo | artículo de investigación |
Citas Totales
Autores Afiliación Chile
Instituciones Chile
% Participación
Internacional
Autores
Afiliación Extranjera
Instituciones
Extranjeras
The current figure of merit to evaluate Single Molecule Magnet (SMM) performance is the blocking temperature (T-B). The best SMMs showT(B)values close to liquid nitrogen boiling point (77 K) while their Orbach effective demagnetization barriers (U-eff) are significantly larger, exceeding 2000 K in some cases. As current high performance SMMs approach the axial limit, new strategies to suppress demagnetization by vibrational tuning have been suggested. In this article, we analyse a set of 17 current high performance SMMs to identify which demagnetization mechanism is limiting the blocking temperature. For the best systems (T-B> 50 K), the limiting mechanism is thermally assisted tunneling and the blocking temperature will depend on the exponential parametersU(eff)and tau(0). Strategies focusing on Raman (vibrational) suppression are expected to have a limited effect for this group. In contrast, systems with lower blocking temperatures (T-B< 50 K) would benefit from such strategies, although they are not expected to surpass current recordT(B)values. The Orbach limit for the blocking temperature can be conveniently estimated usingab initioCASSCF methods. Finally, a recent proposal for a hypothetical high performance SMM is analysed under the presented framework, showing its potential to improve record blocking temperatures.
| Ord. | Autor | Género | Institución - País |
|---|---|---|---|
| 1 | Castro‐alvarez, Alejandro | Hombre |
Universidad de Santiago de Chile - Chile
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| 2 | Gil, Yolimar | - |
Universidad de Chile - Chile
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| 3 | Llanos, Leonel | Hombre |
Universidad de Santiago de Chile - Chile
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| 4 | ARAVENA-PONCE, DANIEL ALEJANDRO | Hombre |
Universidad de Santiago de Chile - Chile
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| Fuente |
|---|
| Fondo Nacional de Desarrollo Científico y Tecnológico |
| Fondecyt Regular |
| Universidad de Santiago de Chile |
| NLHPC |
| ANID |
| National Agency for Research and Development (ANID) |
| National Agency for Research and Development |
| Universidad de Santiago de Chile, Usach, Project DICYT |
| Agradecimiento |
|---|
| D. A. thanks FONDECYT Regular 1170524 for financial support. Y. G. y L. L. thank to National Agency for Research and Development (ANID), PhD Scholarships No. 21170520 and 21180269, respectively. Powered@NLHPC: This research was partially supported by the supercomputing infrastructure of the NLHPC (ECM-02). A. C.-A. thanks Universidad de Santiago de Chile, Usach, Project DICYT code 021942AP-PAP. |
| D. A. thanks FONDECYT Regular 1170524 for financial support. Y. G. y L. L. thank to National Agency for Research and Development (ANID), PhD Scholarships No. 21170520 and 21180269, respectively. Powered@NLHPC: This research was partially supported by the supercomputing infrastructure of the NLHPC (ECM-02). A. C.-A. thanks Universidad de Santiago de Chile, Usach, Project DICYT code 021942AP-PAP. |