Related papers: High-throughput calculations of antiferromagnets h…
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…
Altermagnetism represents a recently established class of collinear magnetism that combines zero net magnetization with momentum-dependent spin polarization, enabled by symmetry constraints rather than spin-orbit coupling. This distinctive…
We perform a computational screening for two-dimensional magnetic materials based on experimental bulk compounds present in the Inorganic Crystal Structure Database and Crystallography Open Database. A recently proposed geometric descriptor…
Antiferromagnets are magnetically ordered materials which exhibit no net moment and thus are insensitive to magnetic fields. Antiferromagnetic spintronics aims to take advantage of this insensitivity for enhanced stability, while at the…
Ferrimagnetic semiconductors, integrated with net magnetization, antiferromagnetic coupling and semi-conductivity, have constructed an ideal platform for spintronics. For practical applications, achieving high N$\acute{e}$el temperatures…
We present a systematic high-throughput density-functional-theory investigation of the structural and magnetic stability of 312 substitutional compounds in the magnetic kagome AT6X6 family. Our screening confirms the stability of many…
Altermagnets offer a route to spin-polarized electronic states without macroscopic magnetization, because compensated magnetic order can generate momentum-dependent spin splitting through crystal-symmetry-controlled exchange fields.…
After decades of research, the low Curie temperature of ferromagnetic semiconductors remains the key problem in the development of magnetic semiconductor spintronic technologies. Removing this roadblock might require a change of the field's…
Altermagnets (AM) are a novel class of magnetic materials with zero net magnetization but broken time-reversal symmetry and spin-split bands exceeding the spin-orbit coupling scale, offering unique control of individual spin-channel and…
An integrated data-driven approach combined with a high-throughput framework based on first-principles calculations was used to discover novel rare-earth-free permanent magnets, focusing on binary alloys. Compounds were screened…
Magnetic topological insulators and semi-metals have a variety of properties that make them attractive for applications including spintronics and quantum computation, but very few high-quality candidate materials are known. In this work, we…
Based on high-throughput density functional theory calculations, we have found 49 ferromag-netic cases in FexN1-x (0<x<1) compounds, focusing especially on permanent magnet and giant magnetocaloric effect applications. It is found that 15…
Altermagnets provide a promising platform for a wide spectrum of applications integrating advantages of conventional ferromagnets and antiferromagnets. In this work, we implement a medium-throughput first-principles workflow and evaluate…
The recent observation of ferromagnetic order in two-dimensional (2D) materials has initiated a booming interest in the subject of 2D magnetism. In contrast to bulk materials, 2D materials can only exhibit magnetic order in the presence of…
Motivated by impurity-induced magnetic ordering phenomena in spin-gap materials like TlCuCl3, we develop a mean-field theory for strongly disordered antiferromagnets, designed to capture the broad distribution of coupling constants in the…
In this work, high throughput DFT calculations are performed on the alkali metal-based half Heusler alloys; LiY$_p$Y$^\prime_{1-p}$S (Y, Y$^\prime$ = V, Cr, Mn, Fe, Co, Ni and $\mathit{p}$ = 0, 0.25, 0.5, 0.75, 1). Starting with 243…
Antiferromagnets (AFMs) with zero net magnetization are proposed as active elements in future spintronic devices. Depending on the critical thickness of the AFM thin films and the measurement temperature, bimetallic Mn-based alloys and…
We present a perspective on the status of antiferromagnetism in two-dimensional (2D) materials. Various types of spin-compensated orders are discussed and include non-collinear order, spin spirals and altermagnetism. Spin-orbit effects…
Heusler compounds are widely studied due to their variety of magnetic properties making them ideal candidates for spintronic and magnetoelectronic applications. V$_3$Al in its metastable D0$_3$-type Heusler structure is a prototype for a…
Antiferromagnetic materials could represent the future of spintronic applications thanks to the numerous interesting features they combine: they are robust against perturbation due to magnetic fields, produce no stray fields, display…