Bulletin of the American Physical Society
2023 APS March Meeting
Volume 68, Number 3
Las Vegas, Nevada (March 5-10)
Virtual (March 20-22); Time Zone: Pacific Time
Session S42: Magnetic Order and Flat Bands in Topological Systems
8:00 AM–11:00 AM,
Thursday, March 9, 2023
Room: Room 318
Sponsoring
Unit:
DMP
Chair: Linda Ye, Stanford University
Abstract: S42.00007 : Realization of ideal flat band by rotated d-orbitals in Kagome metals*
9:36 AM–9:48 AM
Presenter:
Dongwook Kim
(University of Utah)
Authors:
Dongwook Kim
(University of Utah)
Feng Liu
(University of Utah)
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normal'>d style='font-size:12.0pt;mso-ansi-font-size:12.0pt;mso-bidi-font-size:12.0pt;
font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
normal'>z style='mso-bidi-font-style:normal'>2 orbital gives rise to a FB; while <!--[if gte msEquation 12]> style='font-size:12.0pt;mso-ansi-font-size:12.0pt;mso-bidi-font-size:12.0pt;
font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
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normal'>d style='mso-bidi-font-style:normal'>xy , <!--[if gte msEquation 12]> style='font-size:12.0pt;mso-ansi-font-size:12.0pt;mso-bidi-font-size:12.0pt;
font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
normal'>d style='font-size:12.0pt;mso-ansi-font-size:12.0pt;mso-bidi-font-size:12.0pt;
font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
normal'>x style='mso-bidi-font-style:normal'>2 style='mso-bidi-font-style:normal'>- style='font-size:12.0pt;mso-ansi-font-size:12.0pt;mso-bidi-font-size:12.0pt;
font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
normal'>y style='mso-bidi-font-style:normal'>2 , , and orbitals do not. The condition for the latter four orbitals to produce a FB is to rotate them so that they will conform the C3 symmetry of the Kagome lattice. For intercalated TM Kagome lattices, the Kagome-hexagonal intercalation exhibits always a FB, while the case for the Kagome-trigonal intercalation is conditional. Another condition to isolate the FB arising from individual d-orbitals is to increase the crystal field splitting. These are a clear explanation for the existence of ideal FB in 2D MOF/COF instead of 3D or exfoliated 2D kagome metals.
*This work is supported by U.S. DOE-BES (Grant No. DE-FG02-04ER46148). Support from the CHPC at the University of Utah and the NERSC at the Office of Science in the U.S. Department of Energy is gratefully acknowledged.
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