2013/08/29 by Adam Jacobsson, Biplab Sanyal, Marjana Ležaić +2
Materials Science · Mathematics · Physics and Astronomy · #Adiabatic process #Antiferromagnetism #Condensed matter physics #Density functional theory #Ferromagnetism #Heisenberg model #Limit (mathematics) #Magnetic and transport properties of perovskites and related materials #Magnetic properties of thin films #Magnon #Mathematics #Physics #Physics of Superconductivity and Magnetism #Quantum mechanics #Spin (aerodynamics) #Spiral (railway) #Thermodynamics #cond-mat.mtrl-sci
paper · pdf · doi:10.1103/physrevb.88.134427
arxiv created 2013/08/29 · openalex publication_date 2013/10/28 · arxiv updated 2015/06/17 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05
We present a method of extracting the exchange parameters of the classical Heisenberg model from first-principles calculations of spin-spiral total energies based on density functional theory. The exchange parameters of the transition-metal monoxides MnO and NiO are calculated and used to estimate magnetic properties such as transition temperatures and magnon energies. Furthermore we show how to relate the magnon energies directly to differences in spin-spiral total energies for systems containing an arbitrary number of magnetic sublattices. This provides a comparison between magnon energies using a finite number of exchange parameters and the infinite limit.