相关论文: First-Principles Study of Correlation Effects in V…
The finite-T DMRG method is applied to the one-dimensional Kondo lattice model to calculate dynamic correlation functions. Dynamic spin and charge correlations, S_f(omega), S_c(omega), and N_c(omega), and quasiparticle density of states…
We study the gravitational wave phenomenology in models of solitosynthesis. In such models, a first order phase transition is precipitated by a period in which non-topological solitons with a conserved global charge (Q-balls) accumulate…
We present first-principles many-body perturbation theory calculations of the quasiparticle electronic structure and of the optical response of HfO$_2$ polymorphs. We use the $GW$ approximation including core electrons by the projector…
The integration of diverse electronic phenomena, such as magnetism and nontrivial topology, into a single system is normally studied either by seeking materials that contain both ingredients, or by layered growth of contrasting materials.…
We study the effect of semicore states on the self-energy corrections and electronic energy gaps of silicon, germanium and GaAs. Self-energy effects are computed within the GW approach, and electronic states are expanded in a plane-wave…
We investigate the importance of quantum orbital fluctuations in the orthorhombic and monoclinic phases of the Mott insulators LaVO3 and YVO3. First, we construct ab-initio material-specific t2g Hubbard models. Then, by using dynamical…
In the present paper we consider the nonlinear interaction of high frequency intense electromagnetic (EM) beam with degenerate electron plasmas. In a slowly varying envelop approximation the beam dynamics is described by the couple of…
We compare two crystallographic phases of the low-dimensional WP$_2$ to better understand features of electron-electron and electron-phonon interactions in topological systems. The topological $\beta$-phase, a Weyl semimetal with a giant…
The influence of Coulomb correlation on magnetic and spectral properties in metallic rutile phase of vanadium dioxide is studied by state of the art LDA+DMFT method. Calculation results in strongly correlated metallic state with an…
Atomically-thin layers of two-dimensional materials can be assembled in vertical stacks held together by relatively weak van der Waals forces, allowing for coupling between monolayer crystals with incommensurate lattices and arbitrary…
Van der Waals heterostructures (vdWH) provide an ideal playground for exploring light-matter interactions at the atomic scale. In particular, structures with a type-II band alignment can yield detailed insight into free carrier-to-photon…
We study the electronic structure of a heterojunction made of two monolayers of MoS2 and WS2. Our first-principles density functional calculations show that, unlike in the homogeneous bilayers, the heterojunction has an optically active…
Recent experiments on ultracold atomic gases in an optical lattice potential have produced a Mott insulating state of Rb atoms. This state is stable to a small applied potential gradient (an `electric' field), but a resonant response was…
We present a new, all-electron implementation of the GW approximation and apply it to wurtzite ZnO. Eigenfunctions computed in the local-density approximation (LDA) by the full-potential linearized augmented-plane-wave (LAPW) or the…
Rutile CrO$_2$ is an important half-metallic ferromagnetic material, which is also widely used in magnetic recording. In an attempt to find the conditions, which lead to the increase the Curie temperature ($T_{\rm C}$), we study…
We show, by using a correlated Jastrow wave function and a mapping onto a classical model, that the two-dimensional Mott transition in a simple half-filled one-band model can be unconventional and very similar to the binding-unbinding…
The absence of inversion symmetry leads to a strong spin-orbit splitting of the upper valence band of semiconducting single layer transition metal dichalchogenides such as MoS$_2$ or WS$_2$. This permits a direct comparison of the…
We study the structure of the ground state wave functions of bosonic Symmetry Protected Topological (SPT) insulators in 3 space dimensions. We demonstrate that the differences with conventional insulators are captured simply in a dual…
Alloying enables engineering of the electronic structure of semiconductors for optoelectronic applications. Due to their similar lattice parameters, the two-dimensional semiconducting transition metal dichalcogenides of the MoWSeS group…
The theoretical understanding of emergent phenomena in quantum materials is one of the greatest challenges in condensed matter physics. In contrast to simple materials such as noble metals and semiconductors, macroscopic properties of…