相关论文: High-throughput calculations of magnetic topologic…
Conventionally, high-throughput computational materials searches start from an input set of bulk compounds extracted from material databases, and this set is screened for candidate materials for specific applications. In contrast, many…
By breaking the time-reversal-symmetry in three-dimensional topological insulators with introduction of spontaneous magnetization or application of magnetic field, the surface states become gapped, leading to quantum anomalous Hall effect…
Quantum spin Hall insulators are a class of topological materials that has been extensively studied during the past decade. One of their distinctive features is the presence of a finite band gap in the bulk and gapless, topologically…
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…
To date only a few two-dimensional (2D) magnetic crystals were experimentally confirmed, such as CrI3 and CrGeTe3, all with very low Curie temperatures (TC). High-throughput first-principles screening over a large set of materials yields 89…
Exotic quantum phenomena have been demonstrated in recently discovered intrinsic magnetic topological insulator MnBi2Te4. At its two-dimensional limit, quantum anomalous Hall (QAH) effect and axion insulator state are observed in odd and…
We study the topological phase transitions induced by Coulomb engineering in three triangular-lattice Hubbard models $AB_2$, $AC_3$ and $B_2C_3$, each of which consists of two types of magnetic atoms with opposite magnetic moments. The…
We deal with magnetic structures that attain integer and half-integer skyrmion numbers. We model and solve the problem analytically, and show how the solutions appear in materials that engender distinct, very specific physical properties,…
High-throughput (HTP) $ab$ $initio$ calculations are performed on 27,865 Heusler compositions, covering a broad range of regular, inverse, and half-Heusler compounds in both cubic and tetragonal phases. In addition to conventional stability…
While $\sim$30% of materials are reported to be topological, topological insulators are rare. Magnetic topological insulators (MTI) are even harder to find. Identifying crystallographic features that can host the coexistence of a…
The synergy between real and reciprocal space topology is anticipated to yield a diverse array of topological properties in quantum materials. We address this pursuit by achieving topologically safeguarded magnetic order in novel Weyl…
Inducing long-range magnetic order in three-dimensional topological insulators can gap the Diraclike metallic surface states, leading to exotic new phases such as the quantum anomalous Hall effect or the axion insulator state. These…
Topological insulators are new states of quantum matter which can not be adiabatically connected to conventional insulators and semiconductors. They are characterized by a full insulating gap in the bulk and gapless edge or surface states…
Conventional metals, insulators, and semimetals are constrained by fundamental limitations in terms of their thermoelectric performance. Topological materials offer certain features that allow them to circumvent these constraints, and…
Discoveries of topological states and topological materials reshape our understanding of physics and materials over the last 15 years. First-principles calculations have been playing a significant role in bridging the theory of topology and…
Two dimensional materials subject to long-wavelength modulations have emerged as novel platforms to study topological and correlated quantum phases. In this article, we develop a versatile and computationally inexpensive method to predict…
Searching ferromagnetic semiconductor materials with electrically controllable spin polarization is a long-term challenge for spintronics. Bipolar magnetic semiconductors (BMS), with valence and conduction band edges fully spin-polarized in…
Introducing magnetism into topological insulators breaks time-reversal symmetry, and the magnetic exchange interaction can open a gap in the otherwise gapless topological surface states. This allows various novel topological quantum states…
A semimagnetic topological insulator -- a heterostructure combining a topological insulator with a ferromagnet -- exhibits a half-quantized Hall effect, characterized by a quantized Hall conductance of $\frac{1}{2}\frac{e^{2}}{h}$ (where…
Topological matter is a trending topic in condensed matter: From a fundamental point of view it has introduced new phenomena and tools, and for technological applications, it holds the promise of basic stable quantum computing. Similarly,…