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One of the main goals and challenges of materials discovery is to find the best candidates for each interest property or application. Machine learning rises in this context to efficiently optimize this search, exploring the immense…

Materials Science · Physics 2021-08-04 Gabriel R. Schleder , Bruno Focassio , Adalberto Fazzio

We adapt the topological quantum chemistry formalism to layer groups, and apply it to study the band topology of 8,872 entries from the computational two-dimensional (2D) materials databases C2DB and MC2D. In our analysis, we find 4,073…

Mesoscale and Nanoscale Physics · Physics 2024-11-15 Urko Petralanda , Yi Jiang , B. Andrei Bernevig , Nicolas Regnault , Luis Elcoro

Topological materials present unconventional electronic properties that make them attractive for both basic science and next-generation technological applications. The majority of currently known topological materials have been discovered…

Materials Science · Physics 2023-02-14 Andrew Ma , Yang Zhang , Thomas Christensen , Hoi Chun Po , Li Jing , Liang Fu , Marin Soljačić

Databases compiled using ab-initio and symmetry-based calculations now contain tens of thousands of topological insulators and topological semimetals. This makes the application of modern machine learning methods to topological materials…

Materials Science · Physics 2020-07-01 Nikolas Claussen , B. Andrei Bernevig , Nicolas Regnault

We conducted a high-throughput search for topological magnetic materials on 522 new, experimentally reported commensurate magnetic structures from MAGNDATA, doubling the number of available materials on the Topological Magnetic Materials…

Two-dimensional (2D) topological materials (TMs) have attracted tremendous attention due to the promise of revolutionary devices with non-dissipative electric or spin currents. Unfortunately, the scarcity of 2D TMs holds back the…

Mesoscale and Nanoscale Physics · Physics 2019-11-13 Di Wang , Feng Tang , Jialin Ji , Wenqing Zhang , Ashvin Vishwanath , Hoi Chun Po , Xiangang Wan

The discoveries of intrinsically magnetic topological materials, including semimetals with a large anomalous Hall effect and axion insulators, have directed fundamental research in solid-state materials. Topological quantum chemistry has…

Although the richness of spatial symmetries has led to a rapidly expanding inventory of possible topological crystalline (TC) phases of electrons, physical realizations have been slow to materialize due to the practical difficulty to…

Mesoscale and Nanoscale Physics · Physics 2019-05-14 Feng Tang , Hoi Chun Po , Ashvin Vishwanath , Xiangang Wan

Topological electronic materials are new quantum states of matter hosting novel linear responses in the bulk and anomalous gapless states at the boundary, and are for scientific and applied reasons under intensive research in physics and in…

Materials Science · Physics 2019-03-01 Tiantian Zhang , Yi Jiang , Zhida Song , He Huang , Yuqing He , Zhong Fang , Hongming Weng , Chen Fang

A dataset of 35,608 materials with their topological properties is constructed by combining the density functional theory (DFT) results of Materiae and the Topological Materials Database. Thanks to this, machine-learning approaches are…

Materials Science · Physics 2025-03-21 Yuqing He , Pierre-Paul De Breuck , Hongming Weng , Matteo Giantomassi , Gian-Marco Rignanese

Topological phases of matter$\unicode{x2013}$comprising both insulators and semimetals$\unicode{x2013}$offer great potential for quantum applications, but identifying new candidates remains challenging due to expensive first-principles…

Materials Science · Physics 2026-04-08 Xinyu Xu , Arif Ullah , Ming Yang

The intense theoretical and experimental interest in topological insulators and semimetals has established band structure topology as a fundamental material property. Consequently, identifying band topologies has become an important, but…

The discovery of intrinsic magnetic topological order in $\rm MnBi_2Te_4$ has invigorated the search for materials with coexisting magnetic and topological phases. These multi-order quantum materials are expected to exhibit new topological…

Topological magnons give rise to possibilities for engineering novel spintronics devices with critical applications in quantum information and computation, due to its symmetry-protected robustness and low dissipation. However, to make…

In the past decade, there has been a significant interest in the use of machine learning approaches in materials science research. Conventional deep learning approaches that rely on complex, nonlinear models have become increasingly…

Materials Science · Physics 2025-10-02 Andrew Ma , Marin Soljačić

The discovery that the band structure of electronic insulators may be topologically non-trivial has unveiled distinct phases of electronic matter with novel properties. Recently, mechanical lattices have been found to have similarly rich…

Mesoscale and Nanoscale Physics · Physics 2018-10-10 Noah P. Mitchell , Lisa M. Nash , Daniel Hexner , Ari Turner , William T. M. Irvine

Topological materials (TMs) showcase intriguing physical properties defying expectations based on conventional materials, and hold promise for the development of devices with new functionalities. While several theoretically proposed TMs…

Mesoscale and Nanoscale Physics · Physics 2019-04-19 Feng Tang , Hoi Chun Po , Ashvin Vishwanath , Xiangang Wan

We have performed a computational screening of topological two-dimensional (2D) materials from the Computational 2D Materials Database (C2DB) employing density functional theory. A full \textit{ab initio} scheme for calculating hybrid…

Electronic topological phases of matter, characterized by robust boundary states derived from topologically nontrivial bulk states, are pivotal for next-generation electronic devices. However, understanding their complex quantum phases,…

Strongly Correlated Electrons · Physics 2025-03-18 Xiang Li , Yixiao Chen , Bohao Li , Haoxiang Chen , Fengcheng Wu , Ji Chen , Weiluo Ren

We show that compositions of time-reversal and spatial symmetries, also known as the magnetic-space-group symmetries, protect topological invariants as well as surface states that are distinct from those of all preceding topological states.…

Mesoscale and Nanoscale Physics · Physics 2022-07-13 Bingrui Peng , Yi Jiang , Zhong Fang , Hongming Weng , Chen Fang
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