Intrinsic magnetic topological materials

Wang, Yuan; Zhang, Fayuan; Zeng, Meng; Sun, Hongyi; Hao, Zhanyang; Cai, Yongqing; Rong, Hongtao; Zhang, Chengcheng; Liu, Cai; Ma, Xiaoming; Wang, Le; Guo, Shu; Lin, Junhao; Liu, Qihang; Liu, Chang; Chen, Chao‐Yu

doi:10.1007/s11467-022-1250-6

Cited by 17 publications

(4 citation statements)

References 273 publications

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“…Scientific computing has achieved tremendous successes in the discovery and development of novel materials in the past decades, playing an important role in supporting experimental explorations. With the development of physics, chemistry, materials, and computer science, computation for materials is already an essential branch in materials science and technology, directly or indirectly participating in the development of some new materials such as topological insulators, [1–4] Li‐ion battery materials, [5–8] and low‐dimensional nanomaterials [9,10] . Computation has served in almost all stages of material development chains.…”

Section: Introductionmentioning

confidence: 99%

Advances in data‐assisted high‐throughput computations for material design

Xu,

Zhang,

Huo

et al. 2023

Materials Genome Engineering Advances

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Extensive trial and error in the variable space is the main cause of low efficiency and high cost in material development. The experimental tasks can be reduced significantly in the case that the variable space is narrowed down by reliable computer simulations. Because of their numerous variables in material design, however, the variable space is still too large to be accessed thoroughly even with a computational approach. High‐throughput computations (HTC) make it possible to complete a material screening in a large space by replacing the conventionally manual and sequential operations with automatic, robust, and concurrent streamlines. The efficiency of HTC, which is one of the pillars of materials genome engineering, has been verified in many studies, but its applications are still limited by demanding computational costs. Introduction of data mining and artificial intelligence into HTC has become an effective approach to solve the problem. In the past years, many studies have focused on the development and application of HTC and data combined approaches, which is considered as a new paradigm in computational materials science. This review focuses on the main advances in the field of data‐assisted HTC for material research and development and provides our outlook on its future development.

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Section: Introductionmentioning

confidence: 99%

Advances in data‐assisted high‐throughput computations for material design

Xu,

Zhang,

Huo

et al. 2023

Materials Genome Engineering Advances

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“…Recently, Wang et al reviewed the intrinsic magnetic topological materials and reported magnetic transition temperatures T C and T N of MnBi 2 Te 4 -(Bi 2 Te 3 ) n (n = 0, 1, 2, 3) for both the FM and AFM states. As the septuple layer space increases, MnBi 8 Te 13 becomes an intrinsic ferromagnetic topological insulator with a low T C of roughly 10.5 K [10]. However, the conditions to realize quantum anomalous Hall effect (QAHE) is very demanding [11][12][13][14][15], and there are complex defect states [16][17][18][19] and magnetic orders [11,[19][20][21][22][23][24][25][26][27].…”

Section: Introductionmentioning

confidence: 99%

Structural and topological phase transitions in Se doping-controlled intrinsic magnetic topological material FeBi₂Te₄

Guo,

Huang,

Zhang

2023

New J. Phys.

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Defects profoundly affect the magnetic, electronic structure and topological behaviour of intrinsic magnetic topological insulators. Here, we investigate the magnetic, structural stability and topological properties of different Te atomic sites in the intrinsic magnetic topological insulator FeBi2Te4 with Se substitution of the FM-z magnetic order. When Se replaces the outermost site of the septuple layer (the Te atomic layer connected by van der Waals bonds), the Se-Bi bond length formed with its nearest neighbour Bi is drastically shortened and the lattice constant and volume contract accordingly. We speculate that this defect-induced chemical bond enhancement is related to the strong electronegativity of Se over Te. In contrast, the system has lower formation energy, a more stable structure, and enhanced magnetic moment when Se replaces the Te atomic layer inside the septuple layer. Also, we reveal a variety of topological phase transitions due to substitution defects. FeBi2Te4 is considered to belong to the z2×z4 topological classification of higher-order topological insulators with z4=2. The system after Se substitution can be transformed into Weyl semimetals, strong 3D topological insulators, and unknown topological materials without symmetry-base indicators, respectively.

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“…The integration of band topology and magnetism in quantum materials gives rise to novel states of matter such as Chern insulator, axion insulator, topological Möbius insulator, Weyl semimetal, etc. [1][2][3][4][5] Such states usually host an enhanced Berry curvature and surface/edge/hinge/corner states due to the bulk-boundary correspondence, manifesting extreme responses to external stimuli such as electric/magntic field, temperature gradient and optical excitation, e.g., (quantum) anomalous Hall effect, anomalous Nernst effect, topological magneto-optical effect, and negative magnetoresistance as signature of chiral anomaly. Functionalization of these effects may boost industrial development in dissipationless spintronics, information storage and quantum computation.…”

Section: Introductionmentioning

confidence: 99%

“…[6][7][8][9][10][11][12][13][14][15][16][17][18] As a current example, (MnBi 2 Te 4 )•(Bi 2 Te 3 ) n (n = 0, 1, 2, 3) family of materials has intrigued the community as the first realization of intrinsic magnetic topological insulator. [3,4,[19][20][21][22][23][24] Its lattice structure, magnetic configuration, and electronic structure possess fertile tunability, [25] which enables the realization of novel phenomena such as magnetic gap opening of topological Dirac surface state, [26] layer Hall effect, [27] Chern insulator, and axion insulator phases. [28][29][30][31] The second example is the T 3 Sn X (T = Fe, Mn; X = 1, 2, 3) compounds in which magnetic transition metal Fe or Mn atoms form kagome layers.…”

Section: Introductionmentioning

confidence: 99%

Multiple surface states, nontrivial band topology, and antiferromagnetism in GdAuAl₄Ge₂

et al. 2023

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Magnetic topological states of matter provide a fertile playground for emerging topological physics and phenomena. The current main focus is on materials whose magnetism stems from 3d magnetic transition elements, e.g., MnBi2Te4, Fe3Sn2 and Co3Sn2S2. In contrast, topological materials with the magnetism from rare earth elements remain largely unexplored. Here we report rare earth antiferromagnet GdAuAl4Ge2 as a candidate magnetic topological metal. Angle resolved photoemission spectroscopy and first-principles calculations have revealed multiple bulk bands crossing the Fermi level and pairs of low energy surface states. According to the parity and Wannier charge center analyses, these bulk bands possess nontrivial Z2 topology, establishing a strong topological insulator state in the nonmagnetic phase. Furthermore, the surface band pairs exhibit strong termination dependence which provides insight into their origin. Our results suggest GdAuAl4Ge2 as a rare earth platform to explore the interplay between band topology, magnetism and f electron correlation, calling for further study targeting on its magnetic structure, magnetic topology state, transport behavior and microscopic properties.

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Intrinsic magnetic topological materials

Cited by 17 publications

References 273 publications

Advances in data‐assisted high‐throughput computations for material design

Advances in data‐assisted high‐throughput computations for material design

Structural and topological phase transitions in Se doping-controlled intrinsic magnetic topological material FeBi₂Te₄

Multiple surface states, nontrivial band topology, and antiferromagnetism in GdAuAl₄Ge₂

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Intrinsic magnetic topological materials

Cited by 17 publications

References 273 publications

Advances in data‐assisted high‐throughput computations for material design

Advances in data‐assisted high‐throughput computations for material design

Structural and topological phase transitions in Se doping-controlled intrinsic magnetic topological material FeBi2Te4

Multiple surface states, nontrivial band topology, and antiferromagnetism in GdAuAl4Ge2

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Product

Resources

About

Structural and topological phase transitions in Se doping-controlled intrinsic magnetic topological material FeBi₂Te₄

Multiple surface states, nontrivial band topology, and antiferromagnetism in GdAuAl₄Ge₂