QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: NW on July 20, 2020, 13:23

Title: Monte Carlo simulation for calculating the exchange couplings
Post by: NW on July 20, 2020, 13:23

Hello,

Is it possible to use Monte Carlo simulation for calculating the exchange couplings in QuantumATK?

Title: Re: Monte Carlo simulation for calculating the exchange couplings
Post by: Daniele Stradi on August 3, 2020, 11:55

Hello,

there is no Monte-Carlo implementation in QuantumATK to calculate the exchange coupling constants, becasuse QuantumATK implements an efficient Green's function-based method to obtain  the exchange couplings at all orders (nearest neighbor, next-nearest neighbor, etc..). The method is implemented in the Heisenberg Exchange class:

https://docs.quantumatk.com/manual/Types/HeisenbergExchange/HeisenbergExchange.html

Best Regards,
Daniele