3 years ago

Effect of the lattice dynamics on the electronic structure of paramagnetic NiO within the disordered local moment picture

Effect of the lattice dynamics on the electronic structure of paramagnetic NiO within the disordered local moment picture
Maxim P. Belov, Elham Mozafari, Björn Alling, Igor A. Abrikosov
Using the disordered local moments approach in combination with the ab initio molecular dynamics method, we simulate the behavior of a paramagnetic phase of NiO at finite temperatures to investigate the effect of magnetic disorder, thermal expansion, and lattice vibrations on its electronic structur...

Publisher URL: http://link.aps.org/doi/10.1103/PhysRevB.97.035152

DOI: 10.1103/PhysRevB.97.035152

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