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Open AccessArticle

Flat-Band in Pyrochlore Oxides: A First-Principles Study

1
National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba 305-8568, Japan
2
IMRA Material R&D Co. Ltd., Kariya 448-0032, Japan
*
Author to whom correspondence should be addressed.
Nanomaterials 2019, 9(6), 876; https://doi.org/10.3390/nano9060876
Received: 20 May 2019 / Revised: 6 June 2019 / Accepted: 7 June 2019 / Published: 10 June 2019
(This article belongs to the Special Issue Nanotechnologies and Nanomaterials: Selected Papers from CCMR 2019)
Using a first-principles electronic band calculation, we obtained a quasi flat-band near the Fermi level for the six pyrochlore oxides, A2B2O7. These quasi flat-bands are mostly characterized by the s-orbitals of the A-site. The band structures of these oxides are well described by the non-interacting Mielke model. Spin-polarized calculations showed that the ground state of these compounds was ferromagnetic after appropriate carrier doping, despite the absence of the magnetic element. View Full-Text
Keywords: pyrochlore oxide; band calculation; flat band; ferromagnetism pyrochlore oxide; band calculation; flat band; ferromagnetism
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Hase, I.; Yanagisawa, T.; Kawashima, K. Flat-Band in Pyrochlore Oxides: A First-Principles Study. Nanomaterials 2019, 9, 876.

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