Publication Date:
2017-08-23
Description:
Author(s): I. Leonov, A. V. Ponomareva, R. Nazarov, and I. A. Abrikosov We present a detailed theoretical study of the electronic, magnetic, and structural properties of magnesiowüstite Fe 1 − x Mg x O with x in the range between 0 and 0.875 using a fully charge self-consistent implementation of the density functional theory plus dynamical mean-field theory method. In particu... [Phys. Rev. B 96, 075136] Published Thu Aug 17, 2017
Keywords:
Electronic structure and strongly correlated systems
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics
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