Electronic properties of Kagome metal <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:msub> <mml:mi>YbV</mml:mi> <mml:mn>3</mml:mn> </mml:msub> <mml:msub> <mml:mi>Sb</mml:mi> <mml:mn>4</mml:mn> </mml:msub> </mml:mrow> </mml:

We have investigated the vanadium-based Kagome metal <a:math xmlns:a="http://www.w3.org/1998/Math/MathML"> <a:mrow> <a:msub> <a:mi>YbV</a:mi> <a:mn>3</a:mn> </a:msub> <a:msub> <a:mi>Sb</a:mi> <a:mn>4</a:mn> </a:msub> </a:mrow> </a:math> using density functional theory (DFT) combined with the Wannier function analysis. We explore the electronic properties, de Haas-van Alphen (dHvA) effect, and Fermi surface. Our calculations reveal the metallic characteristic in which the majority of the states around the Fermi energy <b:math xmlns:b="http://www.w3.org/1998/Math/MathML"> <b:msub> <b:mi mathvariant="normal">E</b:mi> <b:mi>F</b:mi> </b:msub> </b:math> is contributed by the V- <d:math xmlns:d="http://www.w3.org/1998/Math/MathML"> <d:mrow> <d:mn>3</d:mn> <d:mi>d</d:mi> </d:mrow> </d:math> orbitals, while the localized Yb- <e:math xmlns:e="http://www.w3.org/1998/Math/MathML"> <e:mrow> <e:mn>4</e:mn> <e:mi>f</e:mi> </e:mrow> </e:math> states are positioned below it. The inclusion of spin-orbit coupling (SOC) induces the splitting of <f:math xmlns:f="http://www.w3.org/1998/Math/MathML"> <f:mrow> <f:mtext>Yb-</f:mtext> <f:mn>4</f:mn> <f:mi>f</f:mi> </f:mrow> </f:math> states, while its impact on the <g:math xmlns:g="http://www.w3.org/1998/Math/MathML"> <g:mrow> <g:mtext>V-</g:mtext> <g:mn>3</g:mn> <g:mi>d</g:mi> </g:mrow> </g:math> states is moderate. Furthermore, we have incorporated <h:math xmlns:h="http://www.w3.org/1998/Math/MathML"> <h:mrow> <h:mi mathvariant="normal">U</h:mi> <h:mo>+</h:mo> <h:mi>SOC</h:mi> </h:mrow> </h:math> , where the Hubbard parameter, which drastically changes the <j:math xmlns:j="http://www.w3.org/1998/Math/MathML"> <j:mrow> <j:mtext>Yb-</j:mtext> <j:mn>4</j:mn> <j:mi>f</j:mi> </j:mrow> </j:math> states, creates additional splitting, leading to three distinct peaks in the density of states (DOS). Meanwhile, the <k:math xmlns:k="http://www.w3.org/1998/Math/MathML"> <k:mrow> <k:mtext>V-</k:mtext> <k:mn>3</k:mn> <k:mi>d</k:mi> </k:mrow> </k:math> atoms with the Kagome lattice contribute the maximum to the transport properties, exhibit flat bands near the <l:math xmlns:l="http://www.w3.org/1998/Math/MathML"> <l:msub> <l:mi mathvariant="normal">E</l:mi> <l:mi>F</l:mi> </l:msub> </l:math> , while being protected under SOC and <n:math xmlns:n="http://www.w3.org/1998/Math/MathML"> <n:mrow> <n:mi mathvariant="normal">U</n:mi> <n:mo>+</n:mo> <n:mi>SOC</n:mi> </n:mrow> </n:math> . Herein, we report the vulnerability of the <p:math xmlns:p="http://www.w3.org/1998/Math/MathML"> <p:mrow> <p:mtext>Yb-</p:mtext> <p:mn>4</p:mn> <p:mi>f</p:mi> </p:mrow> </p:math> states under SOC and <q:math xmlns:q="http://www.w3.org/1998/Math/MathML"> <q:mrow> <q:mi mathvariant="normal">U</q:mi> <q:mo>+</q:mo> <q:mi>SOC</q:mi> </q:mrow> </q:math> . Furthermore, the Fermi surface is found to comprise quasi-2D cylindrical sheets centered at the <s:math xmlns:s="http://www.w3.org/1998/Math/MathML"> <s:mi mathvariant="normal">Γ</s:mi> </s:math> point, along with smaller pockets near the Brillouin zone boundaries, which, under combined <u:math xmlns:u="http://www.w3.org/1998/Math/MathML"> <u:mrow> <u:mi mathvariant="normal">U</u:mi> <u:mo>+</u:mo> <u:mi>SOC</u:mi> </u:mrow> </u:math> , a small spherical pocket emerges, and the cylindrical sheet exhibits slight deformations. The dHvA frequencies reach as high as 70 kilotesla, which increases with tilt angle, exhibiting a nearly parabolic trend as expected for cylindrical orbits, while a low-frequency branch remains below 1 kilotesla. Only the <w:math xmlns:w="http://www.w3.org/1998/Math/MathML"> <w:mrow> <w:mi mathvariant="normal">U</w:mi> <w:mo>+</w:mo> <w:mi>SOC</w:mi> </w:mrow> </w:math> case shows noticeable modification in both the Fermi surface and the dHvA oscillation. Crucially, the <y:math xmlns:y="http://www.w3.org/1998/Math/MathML"> <y:msub> <y:mi>Z</y:mi> <y:mn>2</y:mn> </y:msub> </y:math> invariant calculation identifies <z:math xmlns:z="http://www.w3.org/1998/Math/MathML"> <z:mrow> <z:msub> <z:mi>YbV</z:mi> <z:mn>3</z:mn> </z:msub> <z:msub> <z:mi>Sb</z:mi> <z:mn>4</z:mn> </z:msub> </z:mrow> </z:math> as a strong topological metal ( <ab:math xmlns:ab="http://www.w3.org/1998/Math/MathML"> <ab:mrow> <ab:msub> <ab:mi>ν</ab:mi> <ab:mn>0</ab:mn> </ab:msub> <ab:mo>=</ab:mo> <ab:mn>1</ab:mn> </ab:mrow> </ab:math> ). These findings not only advance our understanding of the underlying quantum phenomena in rare-earth Kagome systems, but also establish <bb:math xmlns:bb="http://www.w3.org/1998/Math/MathML"> <bb:mrow> <bb:msub> <bb:mi>YbV</bb:mi> <bb:mn>3</bb:mn> </bb:msub> <bb:msub> <bb:mi>Sb</bb:mi> <bb:mn>4</bb:mn> </bb:msub> </bb:mrow> </bb:math> as a compelling and promising platform for exploring intertwined topology and electron correlations in Kagome lattices, thereby offering valuable insights for engineering quantum phases in layered materials.

Authors

Institutions

Publication Details

Journal
Physical Review Materials
Published
2026-05-11
DOI
https://doi.org/10.1103/kk79-9vkx
Citations
1
Type
article

Funders

Controls
|||
ALL TIME
JAN
FEB
MAR
APR
MAY
JUN
JUL
AUG
SEP
OCT
article

Electronic properties of Kagome metal <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:msub> <mml:mi>YbV</mml:mi> <mml:mn>3</mml:mn> </mml:msub> <mml:msub> <mml:mi>Sb</mml:mi> <mml:mn>4</mml:mn> </mml:msub> </mml:mrow> </mml:

Samy Brahimi, D. Gurung, Samir Lounis, D. P. Rai et al.
1 citations
Physical Review Materials
article

Electronic properties of Kagome metal <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:msub> <mml:mi>YbV</mml:mi> <mml:mn>3</mml:mn> </mml:msub> <mml:msub> <mml:mi>Sb</mml:mi> <mml:mn>4</mml:mn> </mml:msub> </mml:mrow> </mml:

Samy Brahimi, D. Gurung, Samir Lounis, D. P. Rai, Shalika R. Bhandari, Keshav Shrestha
article en
1 citations

Abstract

We have investigated the vanadium-based Kagome metal <a:math xmlns:a="http://www.w3.org/1998/Math/MathML"> <a:mrow> <a:msub> <a:mi>YbV</a:mi> <a:mn>3</a:mn> </a:msub> <a:msub> <a:mi>Sb</a:mi> <a:mn>4</a:mn> </a:msub> </a:mrow> </a:math> using density functional theory (DFT) combined with the Wannier function analysis. We explore the electronic properties, de Haas-van Alphen (dHvA) effect, and Fermi surface. Our calculations reveal the metallic characteristic in which the majority of the states around the Fermi energy <b:math xmlns:b="http://www.w3.org/1998/Math/MathML"> <b:msub> <b:mi mathvariant="normal">E</b:mi> <b:mi>F</b:mi> </b:msub> </b:math> is contributed by the V- <d:math xmlns:d="http://www.w3.org/1998/Math/MathML"> <d:mrow> <d:mn>3</d:mn> <d:mi>d</d:mi> </d:mrow> </d:math> orbitals, while the localized Yb- <e:math xmlns:e="http://www.w3.org/1998/Math/MathML"> <e:mrow> <e:mn>4</e:mn> <e:mi>f</e:mi> </e:mrow> </e:math> states are positioned below it. The inclusion of spin-orbit coupling (SOC) induces the splitting of <f:math xmlns:f="http://www.w3.org/1998/Math/MathML"> <f:mrow> <f:mtext>Yb-</f:mtext> <f:mn>4</f:mn> <f:mi>f</f:mi> </f:mrow> </f:math> states, while its impact on the <g:math xmlns:g="http://www.w3.org/1998/Math/MathML"> <g:mrow> <g:mtext>V-</g:mtext> <g:mn>3</g:mn> <g:mi>d</g:mi> </g:mrow> </g:math> states is moderate. Furthermore, we have incorporated <h:math xmlns:h="http://www.w3.org/1998/Math/MathML"> <h:mrow> <h:mi mathvariant="normal">U</h:mi> <h:mo>+</h:mo> <h:mi>SOC</h:mi> </h:mrow> </h:math> , where the Hubbard parameter, which drastically changes the <j:math xmlns:j="http://www.w3.org/1998/Math/MathML"> <j:mrow> <j:mtext>Yb-</j:mtext> <j:mn>4</j:mn> <j:mi>f</j:mi> </j:mrow> </j:math> states, creates additional splitting, leading to three distinct peaks in the density of states (DOS). Meanwhile, the <k:math xmlns:k="http://www.w3.org/1998/Math/MathML"> <k:mrow> <k:mtext>V-</k:mtext> <k:mn>3</k:mn> <k:mi>d</k:mi> </k:mrow> </k:math> atoms with the Kagome lattice contribute the maximum to the transport properties, exhibit flat bands near the <l:math xmlns:l="http://www.w3.org/1998/Math/MathML"> <l:msub> <l:mi mathvariant="normal">E</l:mi> <l:mi>F</l:mi> </l:msub> </l:math> , while being protected under SOC and <n:math xmlns:n="http://www.w3.org/1998/Math/MathML"> <n:mrow> <n:mi mathvariant="normal">U</n:mi> <n:mo>+</n:mo> <n:mi>SOC</n:mi> </n:mrow> </n:math> . Herein, we report the vulnerability of the <p:math xmlns:p="http://www.w3.org/1998/Math/MathML"> <p:mrow> <p:mtext>Yb-</p:mtext> <p:mn>4</p:mn> <p:mi>f</p:mi> </p:mrow> </p:math> states under SOC and <q:math xmlns:q="http://www.w3.org/1998/Math/MathML"> <q:mrow> <q:mi mathvariant="normal">U</q:mi> <q:mo>+</q:mo> <q:mi>SOC</q:mi> </q:mrow> </q:math> . Furthermore, the Fermi surface is found to comprise quasi-2D cylindrical sheets centered at the <s:math xmlns:s="http://www.w3.org/1998/Math/MathML"> <s:mi mathvariant="normal">Γ</s:mi> </s:math> point, along with smaller pockets near the Brillouin zone boundaries, which, under combined <u:math xmlns:u="http://www.w3.org/1998/Math/MathML"> <u:mrow> <u:mi mathvariant="normal">U</u:mi> <u:mo>+</u:mo> <u:mi>SOC</u:mi> </u:mrow> </u:math> , a small spherical pocket emerges, and the cylindrical sheet exhibits slight deformations. The dHvA frequencies reach as high as 70 kilotesla, which increases with tilt angle, exhibiting a nearly parabolic trend as expected for cylindrical orbits, while a low-frequency branch remains below 1 kilotesla. Only the <w:math xmlns:w="http://www.w3.org/1998/Math/MathML"> <w:mrow> <w:mi mathvariant="normal">U</w:mi> <w:mo>+</w:mo> <w:mi>SOC</w:mi> </w:mrow> </w:math> case shows noticeable modification in both the Fermi surface and the dHvA oscillation. Crucially, the <y:math xmlns:y="http://www.w3.org/1998/Math/MathML"> <y:msub> <y:mi>Z</y:mi> <y:mn>2</y:mn> </y:msub> </y:math> invariant calculation identifies <z:math xmlns:z="http://www.w3.org/1998/Math/MathML"> <z:mrow> <z:msub> <z:mi>YbV</z:mi> <z:mn>3</z:mn> </z:msub> <z:msub> <z:mi>Sb</z:mi> <z:mn>4</z:mn> </z:msub> </z:mrow> </z:math> as a strong topological metal ( <ab:math xmlns:ab="http://www.w3.org/1998/Math/MathML"> <ab:mrow> <ab:msub> <ab:mi>ν</ab:mi> <ab:mn>0</ab:mn> </ab:msub> <ab:mo>=</ab:mo> <ab:mn>1</ab:mn> </ab:mrow> </ab:math> ). These findings not only advance our understanding of the underlying quantum phenomena in rare-earth Kagome systems, but also establish <bb:math xmlns:bb="http://www.w3.org/1998/Math/MathML"> <bb:mrow> <bb:msub> <bb:mi>YbV</bb:mi> <bb:mn>3</bb:mn> </bb:msub> <bb:msub> <bb:mi>Sb</bb:mi> <bb:mn>4</bb:mn> </bb:msub> </bb:mrow> </bb:math> as a compelling and promising platform for exploring intertwined topology and electron correlations in Kagome lattices, thereby offering valuable insights for engineering quantum phases in layered materials.

Physical Review MaterialsVol. 10(5)
Tribhuvan University (NP), Forschungszentrum Jülich (DE), West Texas A&M University (US), Mizoram University (IN), Mouloud Mammeri University of Tizi-Ouzou (DZ), Nepal Academy of Science and Technology (NP), Martin Luther University Halle-Wittenberg (DE)
National Science Foundation, U.S. Department of Energy, Welch Foundation, Deutsche Forschungsgemeinschaft, Office of Science, Oak Ridge Institute for Science and Education, Center for High Performance Computing, Inter-University Accelerator Centre, Workforce Development for Teachers and Scientists, Los Alamos National Laboratory
AI Navigator

Ask Laika to Summarize, Analyze, and Connect papers live on the map.

Summarize Papers & Methodologies

Extract key findings, datasets, and comparative methods across publications.

Benchmark Rankings & Visual Analytics

Rank top research institutions, authors, funders, topics, and journals by Field-Weighted Citation Impact (FWCI) and paper volume with instant charts.

Connect Distant Disciplines

Bridge topological clusters on the map to find hidden collaborative intersections.