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Propriétés magnétiques thermiques mono-ioniques des matériaux calculées avec le système de calcul Atomic Matters MFA.
Thermal single-ionic magnetic properties of materials calculated with atomic matters MFA computation system.
Numéro : pap. 61
Auteurs : MICHALSKI R., ZYGADLO J.
Résumé
We present the concept and scientific methods of a new computation system called ATOMIC MATTERS MFA. This computation system is useful for magnetocaloric effect (MCE) estimations for defined materials. ATOMIC MATTERS MFA provides magnetic, calorimetric and spectroscopic properties of atomic-like localized electron systems under the influence of Crystal Electric Field (CEF), spin-orbit coupling, and magnetic interactions, taken as both Mean Field Approximation (MFA) and the influence of external magnetic fields. ATOMIC MATTERS MFA provides macroscopic properties of materials in different temperature regions, especially around phase transition temperature, such as: magnetic moment (spin and orbit components), localized electron specific heat, localized electron entropy (with a useful tool set for MCE estimations ), evolution of energy level positions, and total free energy temperature dependences in a definable temperature region. ATOMIC MATTERS MFA computation system is an extension of the ATOMIC MATTERS application, a system for describing fine electronic structure and predicting basic magnetic and spectral properties of materials.
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Détails
- Titre original : Thermal single-ionic magnetic properties of materials calculated with atomic matters MFA computation system.
- Identifiant de la fiche : 30019238
- Langues : Anglais
- Source : 7th International Conference on Magnetic Refrigeration at Room Temperature (Thermag VII). Proceedings: Turin, Italy, September 11-14, 2016.
- Date d'édition : 11/09/2016
- DOI : http://dx.doi.org/10.18462/iir.thermag.2016.0061
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