Contrary to the early understanding of antiferromagnets as limited compared to ferromagnets, a rich landscape of phenomena in antiferromagnets has been demonstrated that could be utilized for various spintronics functionalities. Here, we discuss recent advances in understanding of how electrical current can induce spin currents or spin torques in antiferromagnetic systems, focusing primarily...
We present a systematic classification of the magnetic ground states in hundreds of two-dimensional (2D) materials. Non-collinear order is shown to be abundant and may typically be represented by planar spin spiral ground states. We discuss a range of physical effects associated with non-collinear order and take specific materials as examples. The Ni(Cl,Br,I)$_2$ compounds exhibit type II...
Magnetoelectricity, accounting for the coupling between electric and magnetic dipoles, has attracted a revived interest in the last few decades. The interest was largely fueled by the renaissance of multiferroicity where coexisting electrical and magnetic degrees of freedom may couple, as indeed happens in type-II multiferroics displaying an electric polarization induced by a symmetry-breaking...
Magnetization in solids arises from both orbital and spin degrees of freedom. While spin-related effects, such as the spin Hall and inverse spin Hall effects, have been widely considered the dominant mechanisms in magnetoelectric phenomena, recent experimental evidence suggests a much more significant role for orbital contributions than previously expected. This has led to the development of...
The spin-orbit torque (SOT) mechanism offers new avenues for magnetic technologies, where spin-orbit coupling (SOC) at a metal-magnet interface is harnessed to electrically manipulate the magnetic state. Van der Waals materials emerge as a natural SOT platform due to their layered structure, where furthermore SOC and magnetic properties can be tailored by proximity effects. However, low SOT...
The emergence of 2D materials has transformed solid-state physics. The key factor driving research into 2D materials is the ability to efficiently control the atomic-scale physical properties of monolayers and their heterostructures, which involve weak yet important van der Waals interactions. Spintronics aims to utilize the spin of conduction electrons to develop devices like spin transistors...
The density matrix is a fundamental quantity of nonequilibrium quantum statistical mechanics, introduced in 1927 shortly after the birth of quantum physics by von Neumann and Landau, which allows us to compute observable quantities in spintronics like spin torque, spin densities, spin currents etc. However, debates have been raging in recent spintronic literature on how to construct density...
In recent years, the realization of magnetic long-range order in atomically thin 2D materials has shown a big potential in spintronic applications in ultrathin magnets due to the possibility of manipulation of magnetism by external fields, strain or proximity effects in van der Waals (vdW) heterostructures. Specifically, the family of 2D metallic magnets Fe$_n$GeTe$_2$ ($n=3, 4, 5$) has...
In the last decades, proximity effects in graphene-based van der Waals heterostructures have acquired significant attention for their high tunability [1]. Here we study current induced spin accumulation in graphene proximitized by monolayer of 1T-TaS$_{2}$. In such heterostructure, the proximity-induced spin-orbit coupling in the graphene is directly related to the correlated electronic states...
Spin-orbit torque (SOT) in van der Waals heterostructures offers a pathway to energy-efficient spintronic devices. The proximity of a transition-metal dichalcogenide to graphene can have a profound effect on the induced magnetism and spin texture of graphene. One of the promising materials for SOT research is 1T-TaS$_2$. A monolayer of 1T-TaS$_2$ comprises strong spin-orbit coupling, charge...
In commensurate twisted homobilayers, purely radial Rashba spin-orbit fields can emerge due to the interaction of the twisted hidden Rashba spin-orbit coupling (SOC) from each layer [1]. We calculate the band structures and the spin-orbit fields close to the high symmetry points $K$ and $\Gamma$ of commensurate twisted transition-metal dichalcogenide homobilayers (WSe$_2$ and NbSe$_2$) from...
We are investigating triangulene shaped substitutional defects in hexagonal boron nitride filled with carbon atoms. We show how the triangulene shaped defects encompass magnetic moments and with ab initio methods we build Heisenberg like classical spin models representing their interactions. We show how different lattice terminations and sizes impact the magnetic properties of the system.
Spin torques are central to spintronics, enabling current-induced magnetization switching, domain wall motion, and resonant magnetic oscillations in nanoscale devices. While most studies describe spin torques in semi-classical terms, probing their action at the level of a single spin reveals their fundamentally quantum nature. Electron paramagnetic resonance (EPR) performed via scanning...
Abstract body goes here.Spin-orbit coupling (SOC)—a relativistic interaction which entangles a particle’s motion with its quantum mechanical spin—is fundamental to a wide range of physical phenomena, spanning from the formation of topological insulators to the spin Hall effect of light. Recent years have seen remarkable progress in the probing, enhancing and tailoring of SOC in artificial...
Exploring spin, orbital and topological properties of two-dimensional (2D) materials represents a new platform for realizing novel quantum and spin-based phenomena and device applications. Furthermore, engineering 2D heterostructures by combining the best of different materials in one ultimate unit can offer a plethora of opportunities in spintronics. Furthermore, nontrivial topology in the...
A computational study is presented with the aim to mimic different experimental approaches to tune the magnetic interactions in two-dimensional van der Waals magnets. The tensorial exchange interactions [1] among all relevant atomic pairs are evaluated for CrGeSe$_3$, CrGeTe$_3$, and Janus Cr$_2$Ge$_2$(Se,Te)$_3$ monolayers and their dependence is analyzed on different external parameters,...
Magnetic two-dimensional (2D) materials are at the forefront of research in recent years, owing to their rich yet tunable properties, conveniently integrable in spintronic, magneto-electric and multiferroic functional heterostructures and prospective devices. The exploration and manipulation of those properties requires understanding of the microscopic origin of magnetic exchange, which is a...
X-ray magnetic circular dichroism (XMCD) is a well-established technique for investigating magnetism. Here, we present theoretical studies of XMCD at the manganese L$_{2,3}$ edge in two altermagnets, MnTe [1] and MnF$_2$ [2], with experimental data available for MnTe. Our calculations reveal that spin-orbit coupling in the valence states has a negligible effect on the XMCD spectra. In other...
The recent isolation of two-dimensional (2D) magnets offers tantalizing opportunities for spintronics, magnonics and quantum technologies at the limit of miniaturization. [1] In this presentation, I will provide an overview of our recent results on this fascinating topic. First, we will take advantage of the outstanding deformation capacity of 2D materials to answer the question: Can we use...
Engineering all magnetic phases within a single material platform would mark a significant milestone in materials science, simplifying device fabrication by eliminating the need for integrating different materials. We demonstrate that graphene can host all non-relativistic magnetic phases—diamagnetism, paramagnetism, ferromagnetism, antiferromagnetism, ferrimagnetism, altermagnetism and fully...
The impact of proximity-induced spin-orbit coupling and Hund interactions on the correlated phase diagram of Bernal bilayer graphene (BBG) is theoretically investigated. Using an effective ab initio-fitted BBG/WS$_2$ van der Waals heterostructure model, Coulomb and Hund interactions are incorporated through the random-phase approximation to examine possible correlated phases across various...
Borophene, a two-dimensional (2D) allotrope of boron, exhibits exceptional physical and chemical properties, positioning it as a promising candidate for various practical applications, potentially surpassing graphene [1]. However, its high reactivity and susceptibility to oxidation under ambient conditions present significant challenges. Strategies such as hydrogenation of monolayer [3] and...
Superconducting transition metal dichalcogenides provide a rich platform for exploring unconventional superconductivity, the spin-orbit coupling effects, and impurity-induced phenomena in two-dimensional systems [1,2,3]. In the talk we discuss the impact of scalar and magnetic single impurities on the quasiparticle interference (QPI) patterns in the superconducting phase of monolayer NbSe$_2$,...
With the advent of quantum technology and quantum computing, devices at cryogenic temperature become much more wide spread. This also opens opportunities to include superconducting interfaces into the scientific game. For example, the combination of superconductors with magnetic or topological materials offers a playground where new phenomena such as topological superconductivity, Majorana...
Orbitronics has recently emerged as a valid alternative to the field of spintronics, with the orbital degree of freedom serving as the main variable for transportation and magnetization manipulation. Currently, the majority of envisioned applications in orbitronics are associated with the generation and utilization of the orbital currents hosted by non-magnetic bulk materials. On the other...
Recent advances in van der Waals (vdW) ferromagnets have opened innovative avenues for spintronic device design. In this work, we present a comprehensive theoretical investigation of coherent spin-dependent transport in the FGT family of vdW ferromagnets. Using density functional theory combined with the non-equilibrium Green's function method, we demonstrate that charge transport...
Persistent spin textures give rise to robust spin states, unlocking wide-range opportunities for quantum computing, data storage, and advanced spintronic technologies [1]. In this work, we explore the potential for realizing a persistent spin texture in monolayer phosphorene - a promising spintronic material with high carrier mobility, tunable semiconducting band gap and weak spin-orbit...
The discovery of ferromagnetism in monolayer ${\rm CrI_3}$ marked the beginning of a new era in two-dimensional (2D) materials research. However, most 2D ferromagnets exhibit critically low ordering temperatures, limiting their technological applicability [1]. Significant efforts have focused on enhancing the modest Curie temperature ($T_c$) of monolayer ${\rm CrI_3}$ (45 K), with carrier...
The recently discovered group of intercalated monolayers with structural formula MA$_2$Z$_4$ attracted significant interest due to the wide range of physical properties [1]. In the talk we discuss the $\alpha$-NbSi$_2$N$_4$ monolayer as a two-dimensional ferromagnet with promising magnetic, thermal and optical properties for future spintronics applications. Specifically, using density...
We investigate the emergence of altered magnetic phases in a CrI₃ monolayer induced by proximity effects with WSe₂. Using density functional theory (DFT) calculations within the SIESTA framework, we analyze the magnetic properties via a novel approach for extracting the magnetic exchange interaction and onsite anisotropy tensors in extended Heisenberg spin models, explicitly incorporating...
The H-phase of vanadium ditelluride (H-VTe$_2$) recently gained interest in spintronics due to its room-temperature ferromagnetism and tunable electronic band gap [1]. The stability of its ferromagnetic ordering in the monolayer structure can be attributed to its large magnetic anisotropy energy (MAE), favoring in-plane magnetization. Modulating the magnetic anisotropy is crucial in improving...
2D magnetic materials have sourced great attention in the last few years [1]. Intrinsic theoretical interest arises from the very existence of magnetism below the 3D limit, proven only recently after decades of debate, as well as from the observed richness in magnetic phases, encompassing conventional ferromagnetic and antiferromagnetic as well as more exotic textures. Besides, these materials...
We have developed a multi-step strategy for training stable and precise machine learning potentials (MLPs) that are able to efficiently and precisely extrapolate to out-of-domain (OOD) cases. Essential part of obtaining well-performing MLP is obtaining balanced and properly sampled dataset. To achieve this, we have developed a sampling technique based on nudged elastic band (NEB) and...
Magnetic materials often exhibit complex energy landscapes with multiple local minima, each corresponding to a self-consistent electronic structure solution. Finding the global minimum is challenging, and heuristic methods are not always guaranteed to succeed. We apply an automated workflow to systematically explore the energy landscape of 194 magnetic monolayers from the Materials Cloud 2D...
