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Atomistic Spin DynamicsFoundations and Applications$
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Olle Eriksson, Anders Bergman, Lars Bergqvist, and Johan Hellsvik

Print publication date: 2017

Print ISBN-13: 9780198788669

Published to Oxford Scholarship Online: May 2017

DOI: 10.1093/oso/9780198788669.001.0001

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Aspects of the Solid State

Aspects of the Solid State

Chapter:
(p.17) 2 Aspects of the Solid State
Source:
Atomistic Spin Dynamics
Author(s):

Olle Eriksson

Anders Bergman

Lars Bergqvist

Johan Hellsvik

Publisher:
Oxford University Press
DOI:10.1093/oso/9780198788669.003.0002

Symmetries play an important role in the theory of the solid state. As will be developed in this Chapter, DFT calculations for crystalline materials are commonly performed for the irreducible part of the first Brillouin zone, an approach which relies on the use of translational and point group symmetries. Two central properties that result from a calculation in reciprocal space are the wave vector resolved energy spectra, the so called band structure, and the energy resolved density of states. For magnetic materials, atomic magnetic moment moments can be defined and calculated, as well as effective inter-atomic exchange interactions.

Keywords:   lattice system, space groups, Born-von Karman boundary condition, Bloch waves, band structure, density of states, Green function, multiscale dynamics

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