Related papers: Is altermagnetism in vanadium oxychalcogenides a l…
We report a first-principles study on the geometric, electronic and magnetic properties of V-doped anatase TiO$_{2}$. The DFT+U (Hubbard coefficient) approach predicts semiconductor band structures for Ti$_{1-x}$V$_{x}$O$_{2}$ (x=6.25 and…
Motivated by recent results of $N$th order muffin-tin orbital (NMTO) implementation of the density functional theory (DFT), we re-examine low-temperature ground-state properties of the anti-ferromagnetic insulating phase of vanadium…
We present a high throughput computational search for altermagnetism in two-dimensional (2D) materials based on the Computational 2D Materials Database (C2DB). We start by showing that the symmetry requirements for altermagnetism in 2D are…
Altermagnetism, known for its non-relativistic spin-split band structures with yet compensated moments, is being intensively investigated. Discovering new altermagnetic materials with characteristics suitable for practical use remains an…
In this work, we investigate intrinsic magnetic properties of monolayer electrides LaBr$_{2}$ and La$_{2}$Br$_{5}$, where excess electrons do not reside at any atomic orbital and act as anions located at interstitial regions. Having…
Altermagnets exhibit nonrelativistic spin splitting without net magnetization, establishing a new platform for next-generation spintronic devices. Although altermagnetic tunnel junctions (AMTJs) represent the most promising realizations,…
We report structural, magnetization, electrical resistivity and nuclear- and electron spin resonance data of the complex transition metal oxide In_2VO_5 in which structurally well-defined V-O chains are realized. An itinerant character of…
Altermagnetism is a new magnetic phase with k-dependent spin polarization and may exist in an insulating state with a high N\'eel temperature. This provides a new opportunity to obtain both spin and electric polarization in one material.…
The intermetallic compound Fe2VAl looks non-metallic in transport and strongly metallic in thermodynamic and photoemission data. It has in its band structure a highly differentiated set of valence and conduction bands leading to a…
Stacking order can significantly influence the physical properties of two-dimensional (2D) van der Waals materials. The recent isolation of atomically thin magnetic materials opens the door for control and design of magnetism via stacking…
Interlayer magnetic interactions play a pivotal role in determining the magnetic arrangement within van der Waals (vdW) magnets, and the remarkable tunability of these interactions through applied pressure further enhances their…
CaV$_2$O$_4$ is a spin-1 antiferromagnet, where the magnetic vanadium ions are arranged on quasi-one-dimensional (1D) zig-zag chains with potentially frustrated antiferromagnetic exchange interactions. High temperature susceptibility and…
We determine the electronic structure of the one-dimensional spin-1/2 Heisenberg compound $\gamma$-LiV$_2$O$_5$, which has two inequivalent vanadium ions, V(1) and V(2), via density-functional calculations. We find a relative V(1)-V(2)…
Either in bulk form, or when exfoliated into atomically thin crystals, layered transition metal dichalcogenides are continuously leading to the discovery of new phenomena. The latest example is provided by 1T'-WTe$_2$, a semimetal recently…
Anisotropic magnetic properties of a layered kagome-like system Cu3Bi(SeO3)2O2Br have been studied by bulk magnetization and magnetic susceptibility measurements as well as powder and single-crystal neutron diffraction. At T_N = 27.4 K the…
Eu$_5$In$_2$Sb$_6$ is a member of a family of orthorhombic nonsymmorphic rare-earth intermetallics that combines large localized magnetic moments and itinerant exchange with a low carrier density and perpendicular glide planes. This may…
Altermagnetism, recently spotlighted in condensed matter physics, presents captivating physical properties and holds promise for spintronics applications. This study delves into the theoretical description and categorization of…
Van Hove singularities (VHSs) amplify electronic correlations, providing a crucial platform for discovering novel quantum phase transitions. Here, we show that VHSs in multi-orbital systems can stabilize a variety of competing $\bm{Q}=0$…
Magnetism in monolayer (ML) VSe2 has attracted broad interest in spintronics while existing reports have not reached consensus. Using element-specific X-ray magnetic circular dichroism, a magnetic transition in ML VSe2 has been demonstrated…
Motivated by the recent experimental developments in van der Waals heterostructures, we investigate the emergent magnetism in Mott insulator - semimetal moir\'e superlattices by deriving effective spin models and exploring their phase…