Flat band ferromagnetism in Pb $$_2$$ 2 Sb $$_2$$ 2 O $$_7$$ 7 via a self-doped mechanism

Abstract Electron systems with strong geometrical frustrations have flat bands, and their unusual band dispersions are expected to induce a wide variety of physical properties. However, for the emergence of such properties, the Fermi level must be pinned within the flat band. In this study, we perfo...

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Main Authors: I. Hase, Y. Higashi, H. Eisaki, K. Kawashima
Format: Article
Language:English
Published: Nature Portfolio 2023-03-01
Series:Scientific Reports
Online Access:https://doi.org/10.1038/s41598-023-31917-w
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author I. Hase
Y. Higashi
H. Eisaki
K. Kawashima
author_facet I. Hase
Y. Higashi
H. Eisaki
K. Kawashima
author_sort I. Hase
collection DOAJ
description Abstract Electron systems with strong geometrical frustrations have flat bands, and their unusual band dispersions are expected to induce a wide variety of physical properties. However, for the emergence of such properties, the Fermi level must be pinned within the flat band. In this study, we performed first-principles calculations on pyrochlore oxide Pb $$_2$$ 2 Sb $$_2$$ 2 O $$_7$$ 7 and theoretically clarified that the self-doping mechanism induces pinning of the Fermi level in the flat band in this system. Therefore, a very high density of states is realized at the Fermi level, and the ferromagnetic state transforms into the ground state via a flat band mechanism, although the system does not contain any magnetic elements. This compound has the potential to serve as a new platform for projecting the properties of flat band systems in the real world.
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spelling doaj.art-e6587f65f70c4cf282cb8b5b2af03a132023-03-26T11:11:13ZengNature PortfolioScientific Reports2045-23222023-03-011311810.1038/s41598-023-31917-wFlat band ferromagnetism in Pb $$_2$$ 2 Sb $$_2$$ 2 O $$_7$$ 7 via a self-doped mechanismI. Hase0Y. Higashi1H. Eisaki2K. Kawashima3National Institute of Advanced Industrial Science and Technology (AIST)National Institute of Advanced Industrial Science and Technology (AIST)National Institute of Advanced Industrial Science and Technology (AIST)IMRA-JAPAN Material R &D Co. Ltd.Abstract Electron systems with strong geometrical frustrations have flat bands, and their unusual band dispersions are expected to induce a wide variety of physical properties. However, for the emergence of such properties, the Fermi level must be pinned within the flat band. In this study, we performed first-principles calculations on pyrochlore oxide Pb $$_2$$ 2 Sb $$_2$$ 2 O $$_7$$ 7 and theoretically clarified that the self-doping mechanism induces pinning of the Fermi level in the flat band in this system. Therefore, a very high density of states is realized at the Fermi level, and the ferromagnetic state transforms into the ground state via a flat band mechanism, although the system does not contain any magnetic elements. This compound has the potential to serve as a new platform for projecting the properties of flat band systems in the real world.https://doi.org/10.1038/s41598-023-31917-w
spellingShingle I. Hase
Y. Higashi
H. Eisaki
K. Kawashima
Flat band ferromagnetism in Pb $$_2$$ 2 Sb $$_2$$ 2 O $$_7$$ 7 via a self-doped mechanism
Scientific Reports
title Flat band ferromagnetism in Pb $$_2$$ 2 Sb $$_2$$ 2 O $$_7$$ 7 via a self-doped mechanism
title_full Flat band ferromagnetism in Pb $$_2$$ 2 Sb $$_2$$ 2 O $$_7$$ 7 via a self-doped mechanism
title_fullStr Flat band ferromagnetism in Pb $$_2$$ 2 Sb $$_2$$ 2 O $$_7$$ 7 via a self-doped mechanism
title_full_unstemmed Flat band ferromagnetism in Pb $$_2$$ 2 Sb $$_2$$ 2 O $$_7$$ 7 via a self-doped mechanism
title_short Flat band ferromagnetism in Pb $$_2$$ 2 Sb $$_2$$ 2 O $$_7$$ 7 via a self-doped mechanism
title_sort flat band ferromagnetism in pb 2 2 sb 2 2 o 7 7 via a self doped mechanism
url https://doi.org/10.1038/s41598-023-31917-w
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