IOP Publishing, Journal of Physics: Conference Series, (117), p. 012025, 2008
DOI: 10.1088/1742-6596/117/1/012025
Full text: Download
This paper presents and discusses a general procedure to extract spin Hamiltonian effective parameters from periodic calculations. The methodology is illustrated through representative examples of increasing complexity covering systems with three dimensional magnetic order or with a two dimensional magnetic structure. Some more complex systems are discussed where physical intuition based on the crystal structure of the system does not provide a reliable guide but where the present approach can be applied in a straightforward way.