Thermodynamics of ultra-small metallic grains in the auxiliary-field Monte Carlo approach
Y. Alhassid, L. Fang, and S. Schmidt

TL;DR
This paper employs an auxiliary-field Monte Carlo method to analyze thermodynamic properties of ultra-small metallic grains, bridging the gap between bulk and fluctuation-dominated regimes at finite temperatures.
Contribution
It introduces a renormalization technique that reduces computational effort, enabling detailed study of pairing correlations in ultra-small metallic grains.
Findings
Successful calculation of spin susceptibility and heat capacity
Demonstration of crossover from bulk to fluctuation-dominated regime
Efficient computational approach at low temperatures
Abstract
We use an auxiliary-field Monte Carlo (AFMC) method to calculate thermodynamic properties (spin susceptibility and heat capacity) of ultra-small metallic grains in the presence of pairing correlations. This method allows us to study the crossover from bulk systems, where mean-field BCS theory is valid, to the fluctuation-dominated regime of ultra-small particles at finite temperature. The computational effort at low temperatures is significantly reduced by exploiting a simple renormalization method.
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Taxonomy
TopicsTheoretical and Computational Physics · nanoparticles nucleation surface interactions · Advanced Chemical Physics Studies
