Related papers: HfO$_2$: a new direction for intrinsic defect driv…
The prediction of ferromagnetism at room temperature in Co-ZnO thin films has generated a large interest in the community due to the possible applications. However, the results are controversial, going from ferromagnetism to…
Alkali superoxides differ from conventional transition metal magnets, exhibit magnetism from partially occupied oxygen molecular $\pi^*$-orbitals. Among them, CsO$_2$ stands out for its potential to exhibit novel quantum collective…
The discovery of ferroelectric HfO2 in thin films and more recently in bulk is an important breakthrough because of its silicon-compatibility and unexpectedly persistent polarization at low dimensions, but the origin of its ferroelectricity…
To develop new devices based on synthetic ferrimagnetic heterostructures, understanding the material's physical properties is pivotal. Here, the induced magnetic moment (IMM), magnetic exchange coupling, and spin textures are investigated…
We study the ferroelectric stability and surface structural properties of an oxygen-terminated hexagonal YMnO$_3$ ultra-thin film using density functional theory. Under an open circuit boundary condition, the ferroelectric state with the…
The origin of insulating ferromagnetism in epitaxial LaCoO3 films under tensile strain remains elusive despite extensive research efforts have been devoted. Surprisingly, the spin state of its Co ions, the main parameter of its…
Two-dimensional (2D) magnetic materials are of current great interest for their promising applications in spintronics. Strong magnetic coupling and anisotropy are both highly desirable for the achievement of a high temperature magnetic…
Proximity effects allow for the adjustment of magnetic properties in a physically elegant way. If two thin ferromagnetic (FM) films are brought into contact, electronic coupling alters their magnetic exchange interaction at their interface.…
We report a theoretical study of the effects of electronic correlations, magnetic properties, and chemical bonding in the recently synthesized high-pressure orthorhombic phase of FeN$_2$ using the DFT+dynamical mean-field theory approach.…
Using a newly developed quantum Monte Carlo technique, we provide strong evidence for the stability of a saturated ferromagnetic phase in the high-density regime of the two-dimensional infinite-U Hubbard model. By decreasing the electron…
The description of the molecular solid phase of O$_2$, especially its ground-state antiferromagnetic insulating phase, is known to be quite unsatisfactory within the conventional local and semilocal density functional approximations used in…
Recent experimental discoveries of two-dimensional (2D) magnets have triggered intense research activities to search for atomically thin magnetic systems. Using first-principles calculations, we predict the emergence of 2D magnetism in the…
Ferroelectric HfO$_2$ has emerged as a highly promising material for high-density nonvolatile memory and nanoscale transistor applications. However, the uncertain origin of polarization in HfO$_2$ limits our ability to fully understand and…
At ambient pressure, bulk SrCoO$_{3}$ is a ferromagnetic (FM) metal in cubic perovskite structure. By contrast, magnetic properties of epitaxial SrCoO$_{3}$ thin films, especially at high tensile strain ($\varepsilon \gtrsim 3$\%), remain…
The coupling between structural, electronic and magnetic degrees of freedom across the metal-insulator transition in V2O3 makes it hard to determine the main driving mechanism behind the transition. Specifically, the role of magnetism has…
The confluence between high-energy physics and condensed matter has produced groundbreaking results via unexpected connections between the two traditionally disparate areas. In this work, we elucidate additional connectivity between…
The magnetic ground-state properties of the periodic Anderson model with a regular depletion of the correlated sites are analyzed within different theoretical approaches. We consider the model on the one-dimensional chain and on the…
Ruthenium dioxide (RuO$_2$) has been in the focus of contemporary condensed matter research as a prototypical candidate material for altermagnetism. In the face of daunting evidence for bulk magnetic order despite promising theoretical…
Performing an exact diagonalization of the effective spin problem, a ferromagnetic ground state of kinetic origin is shown to emerge in a system of $N$ strongly correlated electrons on a $L$-site ring ($L > N$). This phenomenon is brought…
The magnetic field B_c, in which the electrons become fully spin-polarized, is found to be proportional to the deviation of the electron density from the zero-field metal-insulator transition in a two-dimensional electron system in silicon.…