Uncovering surface states of the Dirac semimetal <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:msub> <mml:mi>BaMg</mml:mi> <mml:mn>2</mml:mn> </mml:msub> <mml:msub> <mml:mi>Bi</mml:mi> <mml:mn>2</mml:mn> </mml:msub> </mml:

<a:math xmlns:a="http://www.w3.org/1998/Math/MathML"> <a:mrow> <a:msub> <a:mi>BaMg</a:mi> <a:mn>2</a:mn> </a:msub> <a:msub> <a:mi>Bi</a:mi> <a:mn>2</a:mn> </a:msub> </a:mrow> </a:math> is a Dirac semimetal characterized by a simple Dirac cone crossing the Fermi level at the center of the Brillouin zone, protected by <b:math xmlns:b="http://www.w3.org/1998/Math/MathML"> <b:msub> <b:mi>C</b:mi> <b:mn>3</b:mn> </b:msub> </b:math> rotational symmetry. Together with its Sr-based analog <c:math xmlns:c="http://www.w3.org/1998/Math/MathML"> <c:mrow> <c:msub> <c:mi>SrMg</c:mi> <c:mn>2</c:mn> </c:msub> <c:msub> <c:mi>Bi</c:mi> <c:mn>2</c:mn> </c:msub> </c:mrow> </c:math> , it has been proposed as a promising candidate for a chemically driven topological switch: while <d:math xmlns:d="http://www.w3.org/1998/Math/MathML"> <d:mrow> <d:msub> <d:mi>SrMg</d:mi> <d:mn>2</d:mn> </d:msub> <d:msub> <d:mi>Bi</d:mi> <d:mn>2</d:mn> </d:msub> </d:mrow> </d:math> is an insulator, <e:math xmlns:e="http://www.w3.org/1998/Math/MathML"> <e:mrow> <e:msub> <e:mi>BaMg</e:mi> <e:mn>2</e:mn> </e:msub> <e:msub> <e:mi>Bi</e:mi> <e:mn>2</e:mn> </e:msub> </e:mrow> </e:math> exhibits nontrivial topological features. A detailed understanding of its electronic structure is essential to elucidate its electronic and transport properties. Previous photoemission studies confirmed the Dirac nature of <f:math xmlns:f="http://www.w3.org/1998/Math/MathML"> <f:mrow> <f:msub> <f:mi>BaMg</f:mi> <f:mn>2</f:mn> </f:msub> <f:msub> <f:mi>Bi</f:mi> <f:mn>2</f:mn> </f:msub> </f:mrow> </f:math> , but were limited to high photon energies, which hindered direct comparison with density functional theory calculations (DFT), due to reduced resolution and higher-frequency matrix-element modulation in that regime. In this work, we combine high-resolution angle-resolved photoemission spectroscopy and DFT calculations to get full insight into the valence band states, providing a comprehensive picture of the low-energy electronic structure. Our measurements reveal the presence of previously unobserved surface states. We found that they are topologically trivial, but they unlock a more comprehensive understanding of the material's behavior, reconciling previous discrepancies between experiment and theory.

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Journal
Physical review. B./Physical review. B
Published
2025-12-22
DOI
https://doi.org/10.1103/ps93-rfk3
Primary Topic
Topological Materials and Phenomena
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article
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article

Uncovering surface states of the Dirac semimetal <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:msub> <mml:mi>BaMg</mml:mi> <mml:mn>2</mml:mn> </mml:msub> <mml:msub> <mml:mi>Bi</mml:mi> <mml:mn>2</mml:mn> </mml:msub> </mml:

F. Miletto Granozio, Sudip Malick, Paulina Majchrzak, A. De Vita et al.
Physical review. B./Physical review. B
Topological Materials and Phenomena
article

Uncovering surface states of the Dirac semimetal <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:msub> <mml:mi>BaMg</mml:mi> <mml:mn>2</mml:mn> </mml:msub> <mml:msub> <mml:mi>Bi</mml:mi> <mml:mn>2</mml:mn> </mml:msub> </mml:

F. Miletto Granozio, Sudip Malick, Paulina Majchrzak, A. De Vita, Chiara Bigi, Johannes Bakkelund, F. Bertran, Michał J. Winiarski, Federico Mazzola, Ralph Ernstorfer, Tomasz Klimczuk, Hanna Świątek, Tommaso Pincelli, Jill A. Miwa, Cynthia R. Nielsen, Alfred J. H. Jones
article en

Abstract

<a:math xmlns:a="http://www.w3.org/1998/Math/MathML"> <a:mrow> <a:msub> <a:mi>BaMg</a:mi> <a:mn>2</a:mn> </a:msub> <a:msub> <a:mi>Bi</a:mi> <a:mn>2</a:mn> </a:msub> </a:mrow> </a:math> is a Dirac semimetal characterized by a simple Dirac cone crossing the Fermi level at the center of the Brillouin zone, protected by <b:math xmlns:b="http://www.w3.org/1998/Math/MathML"> <b:msub> <b:mi>C</b:mi> <b:mn>3</b:mn> </b:msub> </b:math> rotational symmetry. Together with its Sr-based analog <c:math xmlns:c="http://www.w3.org/1998/Math/MathML"> <c:mrow> <c:msub> <c:mi>SrMg</c:mi> <c:mn>2</c:mn> </c:msub> <c:msub> <c:mi>Bi</c:mi> <c:mn>2</c:mn> </c:msub> </c:mrow> </c:math> , it has been proposed as a promising candidate for a chemically driven topological switch: while <d:math xmlns:d="http://www.w3.org/1998/Math/MathML"> <d:mrow> <d:msub> <d:mi>SrMg</d:mi> <d:mn>2</d:mn> </d:msub> <d:msub> <d:mi>Bi</d:mi> <d:mn>2</d:mn> </d:msub> </d:mrow> </d:math> is an insulator, <e:math xmlns:e="http://www.w3.org/1998/Math/MathML"> <e:mrow> <e:msub> <e:mi>BaMg</e:mi> <e:mn>2</e:mn> </e:msub> <e:msub> <e:mi>Bi</e:mi> <e:mn>2</e:mn> </e:msub> </e:mrow> </e:math> exhibits nontrivial topological features. A detailed understanding of its electronic structure is essential to elucidate its electronic and transport properties. Previous photoemission studies confirmed the Dirac nature of <f:math xmlns:f="http://www.w3.org/1998/Math/MathML"> <f:mrow> <f:msub> <f:mi>BaMg</f:mi> <f:mn>2</f:mn> </f:msub> <f:msub> <f:mi>Bi</f:mi> <f:mn>2</f:mn> </f:msub> </f:mrow> </f:math> , but were limited to high photon energies, which hindered direct comparison with density functional theory calculations (DFT), due to reduced resolution and higher-frequency matrix-element modulation in that regime. In this work, we combine high-resolution angle-resolved photoemission spectroscopy and DFT calculations to get full insight into the valence band states, providing a comprehensive picture of the low-energy electronic structure. Our measurements reveal the presence of previously unobserved surface states. We found that they are topologically trivial, but they unlock a more comprehensive understanding of the material's behavior, reconciling previous discrepancies between experiment and theory.

Physical review. B./Physical review. BVol. 113(3)
Gdańsk University of Technology (PL), University of Agder (NO), Aarhus University (DK), Fritz Haber Institute of the Max Planck Society (DE), Synchrotron soleil (FR), Technische Universität Berlin (DE), Stanford University (US)
Openalex Percentile: Top 69%
Topological Materials and Phenomena
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