First-principle calculations of the Berry curvature of Bloch states for charge and spin transport of electrons

Recent progress in wave packet dynamics based on the insight of Berry pertaining to adiabatic evolution of quantum systems has led to the need for a new property of a Bloch state, the Berry curvature, to be calculated from first principles. We report here on the response to this challenge by the ab...

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Bibliographic Details
Published in:Journal of physics. Condensed matter 2012-05, Vol.24 (21), p.213202-213202
Main Authors: Gradhand, M, Fedorov, D V, Pientka, F, Zahn, P, Mertig, I, Györffy, B L
Format: Article
Language:English
Subjects:
Berries
Computer Simulation
Condensed matter
Condensed matter: electronic structure, electrical, magnetic, and optical properties
Curvature
Dynamical systems
Electron Transport
Electronic transport in condensed matter
Electrons
Evolution
Exact sciences and technology
General formulation of transport theory
Mathematical analysis
Models, Chemical
Oscillations
Physical properties
Physics
Quantum Theory
Theory of electronic transport
scattering mechanisms
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Summary:Recent progress in wave packet dynamics based on the insight of Berry pertaining to adiabatic evolution of quantum systems has led to the need for a new property of a Bloch state, the Berry curvature, to be calculated from first principles. We report here on the response to this challenge by the ab initio community during the past decade. First we give a tutorial introduction of the conceptual developments we mentioned above. Then we describe four methodologies which have been developed for first-principle calculations of the Berry curvature. Finally, to illustrate the significance of the new developments, we report some results of calculations of interesting physical properties such as the anomalous and spin Hall conductivity as well as the anomalous Nernst conductivity and discuss the influence of the Berry curvature on the de Haas-van Alphen oscillation.
ISSN:0953-8984
1361-648X
DOI:10.1088/0953-8984/24/21/213202