UNIGE document Scientific Article
previous document  unige:17482  next document
add to browser collection
Title

Thermal hysteresis in spin-crossover compounds studied within the mechanoelastic model and its potential application to nanoparticles

Authors
Stoleriu, Laurentiu
Stancu, Alexandru
Published in Physical Review. B, Condensed Matter. 2011, vol. 84, no. 13, p. 134102
Abstract The recently developedmechanoelastic model is applied to characterize the thermal transition in spin-crossover complexes, with special attention given to the case of spin-crossover nanoparticles. In a two-dimensional system, hexagonal-shaped samples with open boundary conditions are composed of individual molecules that are linked by springs and can switch between two states, namely, the high-spin (HS) and the low-spin (LS) states. The switching of an individual molecule during the spin transition is decided by way of a Monte Carlo standard procedure, using transition probabilities depending on the temperature, the energy gap between the two states, the enthalpy difference, the degeneracy ratio, and the local pressure determined by the elongation or compression of its closest springs. The influence of external parameters, such as temperature sweeping rate and pressure, or intrinsic features of the system, such as the value of its spring constant, on the width of the thermal hysteresis, its shape, and its position are discussed. The particular case of spin-crossover nanoparticles is treated by considering them embedded into a polymer environment, which essentially affects the molecules situated at the edges and faces by decreasing their transition probabilities from HS to LS. Finally, the pressure hysteresis, obtained by varying the external pressure at constant temperature is discussed.
Identifiers
Full text
Article (Published version) (1.9 MB) - document accessible for UNIGE members only Limited access to UNIGE
Other version: http://link.aps.org/doi/10.1103/PhysRevB.84.134102
Structures
Research group Groupe Hauser
Citation
(ISO format)
STOLERIU, Laurentiu et al. Thermal hysteresis in spin-crossover compounds studied within the mechanoelastic model and its potential application to nanoparticles. In: Physical Review. B, Condensed Matter, 2011, vol. 84, n° 13, p. 134102. https://archive-ouverte.unige.ch/unige:17482

175 hits

0 download

Update

Deposited on : 2011-11-21

Export document
Format :
Citation style :