Related papers: Dynamical mean-field theory study of a ferromagnet…
CrI3 is a two-dimensional ferromagnetic van der Waals material with a charge gap of 1.1-1.2 eV. In this study, the electronic structure and magnetism of CrI3 are investigated by using density functional theory and dynamical mean-field…
The development of ferromagnetism in Mn-doped Bi2Te3 is characterized through measurements on a series of single crystals with different Mn content. Scanning tunneling microscopy analysis shows that the Mn substitutes on the Bi sites,…
In recent years, a method for computing spin dynamics at infinite temperature (spinDMFT) was developed. It utilizes the ideas of dynamical mean-field theory for fermions: single-site approximation and a self-consistency condition to…
The observation of ferromagnetic order in a monolayer of CrI$_3$ has been recently reported, with a Curie temperature of 45 Kelvin and off-plane easy axis. Here we study the origin of magnetic anisotropy, a necessary ingredient to have…
Experimental efforts to stabilize ferromagnetism in ultrathin films of transition metal oxides have so far failed, despite expectations based on density functional theory (DFT) and DFT+U. Here, we investigate one of the most promising…
Doped transition-metal dichalcogenides monolayers exhibit exciting magnetic properties for the benefit of two-dimensional spintronic devices. Using density functional theory (DFT) incorporating Hubbard-type of correction (DFT$+U$) to…
Two-dimensional materials hosting ferroelectricity and ferromagnetism are crucial for low-power and high-speed information processing technologies. However, intrinsic 2D multiferroics in the monolayer limit are rare. Here, we demonstrate…
Long-range magnetic orders in atomically thin ferromagnetic CrI3 give rise to new fascinating physics and application perspectives. The physical properties of two-dimensional (2D) ferromagnetism CrI3 are significantly influenced by…
Optical spectroscopy, X-ray diffraction measurements, density functional theory (DFT) and density functional theory + embedded dynamical mean field theory (DFT+eDMFT) have been used to characterize structural and electronic properties of…
Phase diagram and critical properties are studied for three-dimensional double exchange model with and without quenched disorder. Employing the Monte Carlo method and the systematic analysis on the finite-size effect, we estimate the Curie…
Artificial tuning of dielectric parameters can result from interface conductivity in polycrystalline materials. In ferroelectric single crystals, it was already shown that ferroelectric domain walls can be the source of such artificial…
The seeking of room temperature ferromagnetic semiconductors, which take advantages of both the charge and spin degrees of freedom of electrons to realize a variety of functionalities in devices integrated with electronic, optical, and…
We review the basic ideas of the dynamical mean field theory (DMFT) and some of the insights into the electronic structure of strongly correlated electrons obtained by this method in the context of model Hamiltonians. We then discuss the…
The many-body fixed-node and fixed-phase spin-orbit Diffusion Monte Carlo (DMC) methods are applied to accurately predict the fundamental gap of monolayer CrI$_3$ - the first experimentally-realized 2D material with intrinsic magnetism. The…
Magnetotransport and superconducting properties are investigated for uniformly La-doped SrTiO3 films and GdTiO3/SrTiO3 heterostructures, respectively. GdTiO3/SrTiO3 interfaces exhibit a high-density two-dimensional electron gas on the…
Bright excitons in ferromagnetic monolayers CrI$_3$ efficiently interact with lattice magnetization, which makes possible all-optical resonant magnetization control in this material. Using the combination of ab-initio simulations within…
Layered van der Waals ferromagnets, which preserve their magnetic properties down to exfoliated monolayers, are fueling an abundance of fundamental research and nanoscale device demonstration. CrGeTe$_3$ is a prime example for this class of…
We present the combination of Density Functional Theory (DFT) and Dynamical Mean Field Theory (DMFT) for computing the electron transmission through two-terminals nanoscale devices. The method is then applied to metallic junctions…
A monolayer of CrI3 has an amazing ferromagnetic ground-state. In this work, we calculate band structures and magnetic moments of tensile-strained and bent zigzag CrI3 nanoribbons with density functional theory. The edge iodine atoms form…
We investigate the Mott transition using a cluster extension of dynamical mean field theory (DMFT). In the absence of frustration we find no evidence for a finite temperature Mott transition. Instead, in a frustrated model, we observe…