Lattice architecture effect on the cooperativity of spin transition coordination polymers
Journal Article
·
· Journal of Applied Physics
- Faculty of Electrical Engineering and Computer Science and Advanced Materials and Nanotechnology Laboratory (AMNOL), Ştefan cel Mare University, Suceava 720229 (Romania)
- GEMaC, Université de Versailles Saint-Quentin-en-Yvelines, CNRS-UVSQ (UMR 8635), 78035 Versailles Cedex (France)
- Institute of Condensed Matter and Nanosciences, Molecules, Solids and Reactivity (IMCN/MOST), Université Catholique de Louvain, Place L. Pasteur, 1, 1348 Louvain-la-Neuve (Belgium)
We have investigated in the framework of the Ising-like model, by means of Monte Carlo Metropolis method with open boundary condition, the architecture effect on the cooperativity of spin transition coordination polymers. We have analyzed the influence of several physical parameters (size, pressure, and edge effects) on different lattice architectures which were in good agreement with reported experimental data. We show that the cooperativity of a spin crossover system, characterized by the same number of molecules and the same short- and long-range interaction parameters, is progressively enhanced when going from a 1D chain to a 1D ladder type lattice and to a 2D square lattice.
- OSTI ID:
- 22278098
- Journal Information:
- Journal of Applied Physics, Vol. 115, Issue 5; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-8979
- Country of Publication:
- United States
- Language:
- English
Similar Records
Mean-Field and Monte Carlo Studies of the Magnetic Properties of a Spin-7/2 and Spin-5/2 Ising Bilayer Film
An efficient random-sampling method for calculating double occupancy of Gutzwiller wave function in single-band 1D and 2D lattices
Hybrid asynchronous algorithm for parallel kinetic Monte Carlo simulations of thin film growth
Journal Article
·
Sat Jun 15 00:00:00 EDT 2019
· Journal of Superconductivity and Novel Magnetism
·
OSTI ID:22278098
+1 more
An efficient random-sampling method for calculating double occupancy of Gutzwiller wave function in single-band 1D and 2D lattices
Journal Article
·
Fri Aug 28 00:00:00 EDT 2020
· Molecular Physics
·
OSTI ID:22278098
+2 more
Hybrid asynchronous algorithm for parallel kinetic Monte Carlo simulations of thin film growth
Journal Article
·
Fri Feb 10 00:00:00 EST 2006
· Journal of Computational Physics
·
OSTI ID:22278098