Related papers: Effective band-structure in the insulating phase v…
The effects of the spin and lattice degrees of freedom on the electronic structure of M1 vanadium dioxide are explored using a quasiparticle description. Contraction of the inter-vanadium spacing of the Peierls pairings stabilizes bonding…
We propose an effective lattice Hamiltonian for monolayer MoS$_2$ in order to describe the low-energy band structure and investigate the effect of perpendicular electric and magnetic fields on its electronic structure. We derive a…
The Insulator-Metal-Transition adjoined by a structural transition of VO2 is induced above room temperature (340 K) by heating or self-heating. A steep resistance-jump of up to five orders of magnitude occurs at this transition in high…
We present a combined density-functional theory and single-site dynamical mean-field theory (DMFT) study of vanadium dioxide (VO$_2$) using an unconventional set of bond-centered orbitals as the basis of the correlated subspace. VO$_2$ is a…
Soft-phonon modes of an undistorted phase encode a material's preference for symmetry lowering. However, the evidence is sparse for the relationship between an unstable phonon wavevector's reciprocal and the number of formula units in the…
Optical responses in an excitonic insulating (EI) system with strong electron correlation are studied. We adopt the two-orbital Hubbard model with a finite energy difference between the two orbitals where the spin state degree of freedom…
A model to describe electronic correlations in energy bands is considered. The model is a generalization of the conventional Hubbard model that allows for the fact that the wavefunction for two electrons occupying the same Wannier orbital…
Doped Mott insulators are the starting point for interesting physics such as high temperature superconductivity and quantum spin liquids. For multi-band Mott insulators, orbital selective ground states have been envisioned. However, orbital…
First principles density functional calculations of the electronic and magnetic properties of spinel-structure LiV$_{2}$O$_{4}$ have been performed using the full potential linearized augmented planewave method. The calculations show that…
The low-energy band-structure of electrons propagating on a lateral surface of a heterostructure consisting of three dimensional topological insulator (TI) and magnetic insulator layers has been calculated. The energy spectrum is highly…
Transition metal dichalcogenides layered nano-crystals are emerging as promising candidates for next-generation optoelectronic and quantum devices. In such systems, the interaction between excitonic states and atomic vibrations is crucial…
Orbital magnetism is a purely quantum phenomenon that reflects intrinsic electronic properties of solids, yet its microscopic description in interacting multiband systems remains incomplete. We develop a general quantum many-body framework…
We study theoretically the distributions of charge and spin polarization of a topological insulator ribbon, with a realistic rectangular cross section. Due to constriction in two lateral directions, the surface states discretize into a…
We study the electronic structure of bulk 1T-TaSe$_2$ in the charge density wave phase at low temperature. Our spatially and angle resolved photoemission (ARPES) data show insulating areas coexisting with metallic regions characterized by a…
Understanding how topology survives in strongly correlated systems remains a central challenge, as most topological diagnostics rely on non-interacting band structures. Here we present a framework to characterize interacting topological…
We study the structural and several quantum properties of three-dimensional bosonic cluster interacting through van der Waals potential at large scattering length. We use Faddeev-type decomposition of the many-body wave function which…
The excitation spectrum of the 2-leg S=1/2 Heisenberg ladder is examined perturbatively. Using an optimally chosen continuous unitary transformation we expand the Hamiltonian and the Raman operator about the limit of isolated rungs leading…
Exploiting vibrational excitation for the dynamic control of material properties is an attractive goal with wide-ranging technological potential. Most metal-to-insulator transitions are mediated by few structural modes and are thus ideal…
Research on two-dimensional van der Waals materials has demonstrated that the layer degree of freedom can significantly alter the physical properties of materials due to the substantial modification of bulk bands. Inspired by this concept,…
VO$_2$ is a unique phase change material with strongly anisotropic electronic properties. Recently, samples have been prepared that present a co-existence of phases and thus form metal-insulator junctions of the same chemical compound.…