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Principles Of Two Dimensional Design. by Wucius Wong
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1First-Principles Design Of A Half-Filled Flat Band Of The Kagome Lattice In Two-Dimensional Metal-Organic Frameworks
By Masahiko G. Yamada, Tomohiro Soejima, Naoto Tsuji, Daisuke Hirai, Mircea Dincă and Hideo Aoki
We design from first principles a new type of two-dimensional metal-organic frameworks (MOFs) using phenalenyl-based ligands to exhibit a half-filled flat band of the kagome lattice, which is one of the lattice family that shows Lieb-Mielke-Tasaki's flat-band ferromagnetism. Among various MOFs, we find that $\textit{trans}$-Au-THTAP(trihydroxytriaminophenalenyl) has such an ideal band structure, where the Fermi energy is adjusted right at the flat band due to unpaired electrons of radical phenalenyl. The spin-orbit coupling opens a band gap giving a non-zero Chern number to the nearly flat band, as confirmed by the presence of the edge states in first-principles calculations and by fitting to the tight-binding model. This is a novel and realistic example of a system in which a nearly flat band is both ferromagnetic $\textit{and}$ topologically non-trivial.
“First-Principles Design Of A Half-Filled Flat Band Of The Kagome Lattice In Two-Dimensional Metal-Organic Frameworks” Metadata:
- Title: ➤ First-Principles Design Of A Half-Filled Flat Band Of The Kagome Lattice In Two-Dimensional Metal-Organic Frameworks
- Authors: ➤ Masahiko G. YamadaTomohiro SoejimaNaoto TsujiDaisuke HiraiMircea DincăHideo Aoki
“First-Principles Design Of A Half-Filled Flat Band Of The Kagome Lattice In Two-Dimensional Metal-Organic Frameworks” Subjects and Themes:
- Subjects: Materials Science - Strongly Correlated Electrons - Condensed Matter - Mesoscale and Nanoscale Physics
Edition Identifiers:
- Internet Archive ID: arxiv-1510.00164
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