Related papers: High-throughput computational screening for bipola…
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…
In this paper, we investigated the Co2TiX (X = Ge, Sn) Heusler alloys by structural, magnetic and spin polarization measurements to probe the half-metallic nature. Alloys are synthesized using the arc melting technique, and found to exist…
Half-metallic ferromagnets can produce fully spin-polarized conduction electrons and can be applied to fabricate spintronic devices. Thus, in this study, the electronic structure, magnetic properties, and optical properties of GaSb, which…
Nuclear magnetic resonance (NMR) and transport measurements have been performed at high magnetic fields and low temperatures in a series of $n$-type Bi$_{2}$Se$_{3}$ crystals. In low density samples, a complete spin polarization of the…
Charge-order-induced ferroelectrics display important technological applications in spintronics devices due to the possibility of magnetoelectric coupling and fast electronic switching. However, the list of known charge-order-induced…
By performing high-throughput first-principles calculations combined with a semiempirical van der Waals dispersion correction, we have screened 74 direct- and 185 indirect-gap two dimensional (2D) nonmagnetic semiconductors from near 1000…
The electronic structure and magnetic exchange interactions in pure and V-doped Fe16N2 are studied within the framework of density functional theory. The Curie temperatures were obtained with both mean field approximation (MFA) as well as…
Magnetic semiconductors are attracting high interest because of their potential use for spintronics, a new technology which merges electronics and manipulation of conduction electron spins. (GaMn)As and (GaMn)N have recently emerged as the…
Maximization saturation magnetic induction (Bs) of soft magnetic alloys is essential for the high power-density electromagnetic devices. However, identifying the alloy compositions with high Bs often replies on the lab-intensive melt…
Pursuing two-dimensional (2D) intrinsic ferromagnetism with high Curie temperature and great mechanical flexibility has attracted great interest in flexible spintronics. In the present work, we carried out a density functional theory (DFT)…
Finding the true magnetic structure at given external conditions is crucial for describing magnetic materials and predicting their properties. This is especially important for high-throughput screening of potentially good magnets that…
Two-dimensional materials have been gaining great attention as they displayed a broad series of electronic properties that ranging from superconductivity to topology. Among them, those which possess magnetism are most desirable, enabling us…
Spin-gapless semiconductors with their unique band structures have recently attracted much attention due to their interesting transport properties that can be utilized in spintronics applications. We have successfully deposited the thin…
Diluted magnetic semiconductors (DMS) have attracted significant attention for their potential in spintronic applications. Particularly, magnetically-doped GaN is highly attractive due to its high relevance for the CMOS industry and the…
Swift discovery of spin-crossover materials for their potential application in quantum information devices requires techniques which enable efficient identification of suitably bistable candidates. To this end, we screened the Cambridge…
Exploring two-dimensional (2D) magnetic semiconductors with room temperature magnetic ordering and electrically controllable spin polarization is a highly desirable but challenging task for nanospintronics. Here, through first principles…
Doping nonmagnetic semiconductors with magnetic impurities is a feasible way to obtain diluted magnetic semiconductors (DMSs). It is generally accepted that for the most extensively studied DMS, (Ga, Mn)As, its highest Curie temperature…
The discovery of magnetic materials with high operating temperature ranges and optimized performance is essential for advanced applications. Current data-driven approaches are limited by the lack of accurate, comprehensive, and feature-rich…
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…
We screen a large chemical space of perovskite alloys for systems with the right properties to accommodate a morphotropic phase boundary (MPB) in their composition-temperature phase diagram, a crucial feature for high piezoelectric…