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We develop a high-throughput computational scheme based on cluster multipole theory to identify new functional antiferromagnets. This approach is applied to 228 magnetic compounds listed in the AtomWork-Adv database, known for their…

Materials Science · Physics 2024-04-04 Takuya Nomoto , Susumu Minami , Yuki Yanagi , Michi-To Suzuki , Takashi Koretsune , Ryotaro Arita

Magnetic topological insulators exhibit unique electronic states due to the interplay between the electronic topology and the spin structure. The antiferromagnetic metal $\rm{EuIn_2As_2}$ is a prominent candidate material in which exotic…

Strongly Correlated Electrons · Physics 2024-09-23 Hikaru Takeda , Jian Yan , Zhongzhu Jiang , Xuan Luo , Yuping Sun , Minoru Yamashita

"Topological Quantum Chemistry (TQC) links the chemical and symmetry structure of a given material with its topological properties. This field tabulates the data of the 10398 real-space atomic limits of materials, and solves the…

Materials Science · Physics 2019-11-15 M. G. Vergniory , L. Elcoro , C. Felser , N. Regnault , B. A. Bernevig , Z. Wang

Topological materials in crystal solids, including topological insulators (TIs), topological crystalline insulators (TCIs), topological Dirac semimetals (DSMs), topological Weyl semimetals (WSMs), topological Dirac or Weyl nodal line…

Materials Science · Physics 2017-05-05 Xing-Qiu Chen

Ideal magnetic topological materials have great significance in both fundamental physics and technical applications, due to their abundant exotic quantum properties and facilitation of control. Using first-principles calculations, we find…

Materials Science · Physics 2023-12-05 Shengwei Chi , Gang Xu

Magnetic topological insulator provide a prominent material platform for quantum anomalous Hall physics and axion electrodynamics. However, the lack of material realizations with cleanly gapped surfaces hinders technological utilization of…

Materials Science · Physics 2022-06-28 Nicodemos Varnava , Tanya Berry , Tyrel M. McQueen , David Vanderbilt

Recent years have seen multiple high-throughput studies reveal an immense number of topological materials through use of symmetry indicators. Despite this success, three-dimensional topological insulators (TI) admitting a band-gap larger…

Materials Science · Physics 2023-04-13 Alexander C. Tyner , Pallab Goswami

Recent progress in the field of topological states of matter(1,2) has largely been initiated by the discovery of bismuth and antimony chalcogenide bulk topological insulators (TIs)(3-6), followed by closely related ternary compounds(7-16)…

The localized f-electrons enrich the magnetic properties in rare-earth-based intermetallics. Among those, compounds with heavier 4d and 5d transition metals are even more fascinating because anomalous electronic properties may be induced by…

The C2DB is a highly curated open database organizing a wealth of computed properties for more than 4000 atomically thin two-dimensional (2D) materials. Here we report on new materials and properties that were added to the database since…

Three dimensional (3D) topological insulators are novel states of quantum matter that feature spin-momentum locked helical Dirac fermions on their surfaces and hold promise to open new vistas in spintronics, quantum computing and…

Mesoscale and Nanoscale Physics · Physics 2010-07-30 Su-Yang Xu , L. A. Wray , Y. Xia , R. Shankar , A. Petersen , A. Fedorov , H. Lin , A. Bansil , Y. S. Hor , D. Grauer , R. J. Cava , M. Z. Hasan

The study of topological properties in magnetic materials has long been one of the forefront research areas in condensed matter physics. CrSb, as a prototypical candidate material for altermagnetism, has attracted significant attention due…

We present a comprehensive study aimed at elucidating the complex magnetic correlations in Co$_2$TiSi$_{0.5}$Al$_{0.5}$ Heusler alloy having the partial B2-type structure amid L2$_1$ cubic main phase. The thermo-magnetization measurements…

Strongly Correlated Electrons · Physics 2024-08-26 Priyanka Yadav , Brajesh K. Mani , Rajendra S. Dhaka

The search for high-performance spintronic materials motivates the exploration of Heusler alloys with unconventional electronic properties. Using density functional theory with Hubbard correction (DFT+$U$, $U = 4$ eV), we investigate…

Materials Science · Physics 2025-09-24 N. Bouteldja , N. Hacini , I. Ouadha , H. Rached

The concepts of Weyl fermions and topological semimetals emerging in three-dimensional momentum space are extensively explored owing to the vast variety of exotic properties that they give rise to. On the other hand, very little is known…

Based on irreducible representations (or symmetry eigenvalues) and compatibility relations, a material can be predicted to be a topological/trivial insulator [satisfying compatibility relations] or a topological semimetal [violating…

Materials Science · Physics 2021-02-23 Jiacheng Gao , Yuting Qian , Simin Nie , Zhong Fang , Hongming Weng , Zhijun Wang

Two-dimensional (2D) magnetic materials empowered with nontrivial band topology may lead to the emergence of exotic quantum states with significant application potentials. Here we predict a family tree of 2D magnetic materials with tunable…

Materials Science · Physics 2021-12-22 Huisheng Zhang , Ping Cui , Xiaohong Xu , Zhenyu Zhang

The Technical Committee of the IEEE Magnetics Society has selected 7 research topics to develop their roadmaps, where major developments should be listed alongside expected timelines; (i) hard disk drives, (ii) magnetic random access…

Topological insulators and topological semimetals are both new classes of quantum materials, which are characterized by surface states induced by the topology of the bulk band structure. Topological Dirac or Weyl semimetals show linear…

Materials Science · Physics 2017-06-21 Binghai Yan , Claudia Felser

Spin-gapless semimetals (SGSMs), which generate 100\% spin polarization, are viewed as promising semi-half-metals in spintronics with high speed and low consumption. We propose and characterize a new $\mathbb{Z_{\mathrm{2}}}$ class of…

Materials Science · Physics 2020-01-14 Run-Wu Zhang , Zeying Zhang , Cheng-Cheng Liu , Yugui Yao