Multiple Topological States in LaAgAs2, a Failed Square-Net Semimetal

Fuente: arXiv
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Main Authors: Liu, Yang, Li, Tongrui, Yuan, Xixi, Maraytta, Nour, Fedorov, Alexei V., Kundu, Asish K., Yilmaz, Turgut, Vescovo, Elio, Wu, Xueliang, Zhang, Long, He, Mingquan, Chai, Yisheng, Zhou, Xiaoyuan, Merz, Michael, Sun, Zhe, Fu, Huixia, Valla, Tonica, Wang, Aifeng
Format: Preprint
Published: 2026
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author Liu, Yang
Li, Tongrui
Yuan, Xixi
Maraytta, Nour
Fedorov, Alexei V.
Kundu, Asish K.
Yilmaz, Turgut
Vescovo, Elio
Wu, Xueliang
Zhang, Long
He, Mingquan
Chai, Yisheng
Zhou, Xiaoyuan
Merz, Michael
Sun, Zhe
Fu, Huixia
Valla, Tonica
Wang, Aifeng
author_facet Liu, Yang
Li, Tongrui
Yuan, Xixi
Maraytta, Nour
Fedorov, Alexei V.
Kundu, Asish K.
Yilmaz, Turgut
Vescovo, Elio
Wu, Xueliang
Zhang, Long
He, Mingquan
Chai, Yisheng
Zhou, Xiaoyuan
Merz, Michael
Sun, Zhe
Fu, Huixia
Valla, Tonica
Wang, Aifeng
contents The rational design of new materials emerges as an important direction to explore new topological materials, which is based on the understanding of the correlation between crystal and electronic structures. In this paper, we perform a comprehensive study on the crystal and electronic structures in LaAgAs2 through a combination of single-crystal x-ray diffraction (XRD), quantum oscillation, and angle-resolved photoemission spectroscopy (ARPES) experimental measurements, and density functional theory (DFT) calculations. Single-crystal XRD measurements reveal that LaAgAs2 crystallizes into a HfCuSi2-derived structure with the square net distorted into cis-trans chains. Quantum oscillation measurements reveal two frequencies with small effective masses and quasi-two-dimensional (2D) characters. ARPES measurements reveal an electronic structure strikingly different from the square-net-based semimetals, such as LaAgAs2. The Fermi surface is quasi-two-dimensional (2D), with Dirac-like hole pockets at the zone center and a quasi-1D elliptical electron pocket at the zone boundary. Based on the DFT calculations, the measured electronic structure can be well understood regarding the cis-trans distortion, which transforms the two-dimensional square net-derived Dirac bands into quasi-1D trivial bands. Intriguingly, multiple topological states can be identified around the zone center, including a nontrivial Z2 topological surface state and a bulk Dirac state. Our study clarifies the impact of cis-trans distortion and identifies LaAgAs2 as a topological material with multiple topological states near the Fermi level, providing a guideline for intentionally designing new topological materials.
format Preprint
id arxiv_https___arxiv_org_abs_2603_24513
institution arXiv
publishDate 2026
record_format arxiv
spellingShingle Multiple Topological States in LaAgAs2, a Failed Square-Net Semimetal
Liu, Yang
Li, Tongrui
Yuan, Xixi
Maraytta, Nour
Fedorov, Alexei V.
Kundu, Asish K.
Yilmaz, Turgut
Vescovo, Elio
Wu, Xueliang
Zhang, Long
He, Mingquan
Chai, Yisheng
Zhou, Xiaoyuan
Merz, Michael
Sun, Zhe
Fu, Huixia
Valla, Tonica
Wang, Aifeng
Materials Science
The rational design of new materials emerges as an important direction to explore new topological materials, which is based on the understanding of the correlation between crystal and electronic structures. In this paper, we perform a comprehensive study on the crystal and electronic structures in LaAgAs2 through a combination of single-crystal x-ray diffraction (XRD), quantum oscillation, and angle-resolved photoemission spectroscopy (ARPES) experimental measurements, and density functional theory (DFT) calculations. Single-crystal XRD measurements reveal that LaAgAs2 crystallizes into a HfCuSi2-derived structure with the square net distorted into cis-trans chains. Quantum oscillation measurements reveal two frequencies with small effective masses and quasi-two-dimensional (2D) characters. ARPES measurements reveal an electronic structure strikingly different from the square-net-based semimetals, such as LaAgAs2. The Fermi surface is quasi-two-dimensional (2D), with Dirac-like hole pockets at the zone center and a quasi-1D elliptical electron pocket at the zone boundary. Based on the DFT calculations, the measured electronic structure can be well understood regarding the cis-trans distortion, which transforms the two-dimensional square net-derived Dirac bands into quasi-1D trivial bands. Intriguingly, multiple topological states can be identified around the zone center, including a nontrivial Z2 topological surface state and a bulk Dirac state. Our study clarifies the impact of cis-trans distortion and identifies LaAgAs2 as a topological material with multiple topological states near the Fermi level, providing a guideline for intentionally designing new topological materials.
title Multiple Topological States in LaAgAs2, a Failed Square-Net Semimetal
topic Materials Science
url https://arxiv.org/abs/2603.24513