Role of Surface Effects in the Vibrational Density of States and the Vibrational Entropy in Spin Crossover Nanomaterials: A Molecular Dynamics Investigation
Size reduction effects on the lattice dynamics of spin crossover (SCO) thin films have been investigated through molecular dynamics (MD) simulations of the density of vibrational states. The proposed simple model structure and reduced force field allows us to obtain good orders of magnitude of the s...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2021-02-01
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| Series: | Magnetochemistry |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2312-7481/7/2/27 |