Exchange parameters and adiabatic magnon energies from spin-spiral calculations
| Autor: | Stefan Blügel, Marjana Ležaić, Biplab Sanyal, Adam Jacobsson |
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| Jazyk: | angličtina |
| Rok vydání: | 2013 |
| Předmět: |
Physics
Condensed Matter - Materials Science Condensed matter physics Magnon Materials Science (cond-mat.mtrl-sci) FOS: Physical sciences Classical Heisenberg model Condensed Matter Physics Electronic Optical and Magnetic Materials Spin wave Ab initio quantum chemistry methods Density functional theory Strongly correlated material Condensed Matter::Strongly Correlated Electrons Adiabatic process Finite set |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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