相关论文: AI-accelerated Discovery of Altermagnetic Material…
Metal-insulator transition (MIT) materials are a useful platform for emerging microelectronic, optoelectronic, and neuromorphic devices, but their discovery is hindered by the high computational cost of electronic structure modeling, the…
The quest to identify new superconducting materials with enhanced properties is hindered by the prohibitive cost of computing electron-phonon spectral functions, severely limiting the materials space that can be explored. Here, we introduce…
Nanomagnets form the building blocks for a gamut of miniaturized energy-efficient devices including data storage, memory, wave-based computing, sensors and biomedical devices. They also offer a span of exotic phenomena and stern challenges.…
Crystallisation is an important phenomenon which facilitates the purification as well as structural and bulk phase material characterisation using crystallographic methods. However, different conditions can lead to a vast set of different…
The efficient exploration of expansive material spaces remains a significant challenge in materials science. To address this issue, autonomous material search methods that combine machine learning with ab initio calculations have emerged as…
Altermagnets are an emergent class of materials combining features of ferro- and antiferro-magnetic materials. They have spin-separated bands normally associated with ferromagnets, but a vanishing net magnetization. Moreover the symmetries…
The discovery of novel superconducting materials is a longstanding challenge in materials science, with a wealth of potential for applications in energy, transportation, and computing. Recent advances in artificial intelligence (AI) have…
Altermagnetism, an emergent magnetic phase featuring compensated collinear magnetic moments and momentum-dependent spin splittings, has recently garnered widespread interest. A critical issue concerns whether the unconventional spin…
It is essential to know the arrangement of the atoms in a material in order to compute and understand its properties. Searching for stable structures of materials using first-principles electronic structure methods, such as density…
Recently, altermagnetism (AM) has emerged as a new category of magnetism, alongside conventional antiferromagnetism (AFM) and ferromagnetism (FM). In an AM, superconductivity (SC) is faced with a dilemma that the spin-polarized bands,…
Primary ferroicities like ferroelectricity and ferromagnetism are essential physical properties of matter. Multiferroics, with coexisting multiple ferroic orders in a single phase, provide a convenient route to magnetoelectricity. Even so,…
Altermagnetism is a newly identified phase of magnetism distinct from ferromagnetism and antiferromagnetism. RuO$_2$ has been considered a prototypical metallic altermagnet with a critical temperature higher than room temperature. Previous…
The terminology "altermagnetism" has recently been adopted to describe collinear magnetic order with no net magnetization and non-relativisitic, momentum-dependent spin-splitting. The archetypal material used to theoretically explore…
Amorphous and amorphous porous palladium are key materials for catalysis, hydrogen storage, and functional applications, but their complex structures present computational challenges. This study employs a deep neural network trained on…
Magnetism, when combined with an unconventional electronic band structure, can give rise to forefront electronic properties such as the quantum anomalous Hall effect, axion electrodynamics, and Majorana fermions. Here we report the…
The recent discovery of altermagnetism has sparked growing interest in compensated magnetic systems as promising platforms for highly scalable spintronics. Altermagnetism is a distinct magnetic order where opposite spin sublattices are…
We have searched nearly 40,000 inorganic solids in the Inorganic Crystal Structural Database to identify compounds containing a transition metal or rare earth kagom\'e sublattice, a geometrically magnetically frustrated lattice, ultimately…
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…
Generative models and machine learning promise accelerated material discovery in MOFs for CO2 capture and water harvesting but face significant challenges navigating vast chemical spaces while ensuring synthetizability. Here, we present…
Hydrogen storage remains a central bottleneck for scalable hydrogen energy systems due to the multiscale and coupled nature of the thermodynamics, kinetics, and microstructural evolution of hydrogen storage materials (HSMs). Although…