التفاصيل البيبلوغرافية
| العنوان: |
Multi-Step in 3D Spin Crossover Nanoparticles Simulated by an Ising Model Using Entropic Sampling Monte Carlo Technique |
| المؤلفون: |
Catalin Jureschi, Jorge Linares, Aurelian Rotaru, Yann Garcia |
| المصدر: |
Magnetochemistry; Volume 2; Issue 1; Pages: 13 |
| بيانات النشر: |
Multidisciplinary Digital Publishing Institute |
| سنة النشر: |
2016 |
| المجموعة: |
MDPI Open Access Publishing |
| مصطلحات موضوعية: |
spin crossover, Ising model, Monte Carlo, metal organic frameworks |
| الوصف: |
There are currently extended experimental and theoretical developments of spin crossover nanomaterials, in particular based on coordination polymers for the design of smart applications. In this context, we have reproduced a three step thermal transition in a cubic spin crossover nanomaterial with a system dimension of 5 × 5 × 5 metallic centers. For this purpose, we have calculated, using Monte Carlo Entropic Sampling technique, the density of states of all possible system configurations. In order to take into account the local environment, we have included an additional interaction term in the standard Ising like model. We have then analyzed the role of this new interaction as well as the system size effect variation (from 4 × 4 × 4 to 6 × 6 × 6 metallic centers). Comparison with a 2D SCO system shows that the spin transition still proceeds in three steps but is no longer hysteretic. |
| نوع الوثيقة: |
text |
| وصف الملف: |
application/pdf |
| اللغة: |
English |
| العلاقة: |
Spin Crossover; https://dx.doi.org/10.3390/magnetochemistry2010013Test |
| DOI: |
10.3390/magnetochemistry2010013 |
| الإتاحة: |
https://doi.org/10.3390/magnetochemistry2010013Test |
| حقوق: |
https://creativecommons.org/licenses/by/4.0Test/ |
| رقم الانضمام: |
edsbas.B4DE7DB0 |
| قاعدة البيانات: |
BASE |
