Size effect on the three state thermal hysteresis of a 2D spin crossover nanoparticles
- 1. LATMOS, Université de Versailles-Saint-Quentin-en-Yvelines, CNRS-UPMC-UVSQ (UMR 8190), 11 boulevard d'Alembert, 78280 Guyancourt (France)
- 2. LI-PaRAD, Université de Versailles Saint-Quentin-en-Yvelines, 45 Av. des Etats-Unis, EA 7432, 78035 Versailles Cedex (France)
- 3. GEMAC, Université de Versailles Saint-Quentin-en-Yvelines, 45 Av. des Etats-Unis, CNRS-UMR 8635, 78035 Versailles Cedex (France)
Description
In this report first we show, in a framework of the Ising-like model, a numerical simulation of a typical two step thermal transition obtained for a square lattice 12x12: a "first-step hysteresis" for a high spin fraction Nhs between 0 - 0,5 and at a higher temperature a "second-step hysteresis" with Nhs between 0.5 and 1. As long as we decrease the number of molecules the temperature range of the "second-step hysteresis" moves to a lower temperature, until is obtained, for a square of 4x4, a clear overlapped case with a three state behaviour. A detailed analysis on the role of the size system (4x4, 5x5, 6x6, 8x8 and 12x12) on the stability of this "Three state behaviour" is presented in this contribution. We study the influence of the surrounding environment for this specific thermal hysteresis. To solve the self-consistent equation related to the average value of the spin-operator <σ>, we use the density of the states calculated using a dynamic programming algorithm that will be presented in this paper. (paper)
Availability note (English)
Available from http://dx.doi.org/10.1088/1742-6596/1141/1/012158Additional details
Identifiers
Publishing Information
- Journal Title
- Journal of Physics. Conference Series (Online)
- Journal Volume
- 1141
- Journal Issue
- 1
- Journal Page Range
- [7 p.]
- ISSN
- 1742-6596
Conference
- Title
- International Conference on Mathematical Modelling in Physical Sciences
- Dates
- 27-31 Oct 2018
- Place
- Moscow (Russian Federation)
INIS
- Country of Publication
- United Kingdom
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 53035636
- Subject category
- S77: NANOSCIENCE AND NANOTECHNOLOGY; S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
- Resource subtype / Literary indicator
- Conference
- Descriptors DEI
- ALGORITHMS; COMPUTERIZED SIMULATION; DENSITY; DYNAMIC PROGRAMMING; HYSTERESIS; MOLECULES; NANOPARTICLES; SPIN; TETRAGONAL LATTICES; TWO-DIMENSIONAL SYSTEMS
- Descriptors DEC
- ANGULAR MOMENTUM; CALCULATION METHODS; CRYSTAL LATTICES; CRYSTAL STRUCTURE; MATHEMATICAL LOGIC; PARTICLE PROPERTIES; PARTICLES; PHYSICAL PROPERTIES; SIMULATION; THREE-DIMENSIONAL LATTICES