Related papers: First-Principles Study of Correlation Effects in V…
We present a wavefunction-based approach to correlated ab initio calculations on crystalline insulators of infinite extent. It uses the representation of the occupied and the unoccupied (virtual) single-particle states of the infinite solid…
We investigate Luttinger Liquid superlattices, a periodic structure composed of two kinds of one-dimensional systems of interacting electrons. We calculate several properties of the low-energy sector: the effective charge and spin…
We have performed an all-electron fully relativistic density functional calculation to study the magnetic properties of FeBr2. We show for the first time that the correlation effect enhances the contribution from orbital degrees of freedom…
Nonequilibrium phase transitions driven by light pulses represent a rapidly developing field in condensed matter physics. As one of the archetypal strongly correlated materials, vanadium dioxide (VO2) undergoes a structural phase transition…
Optical control of structural and electronic properties of Weyl semimetals allows development of switchable and dissipationless topological devices at the ultrafast scale. An unexpected orbitial-selective photoexcitation in type-II Weyl…
The interplay between topology and correlations can generate a variety of quantum phases, many of which remain to be explored. Recent advances have identified monolayer WTe2 as a promising material for doing so in a highly tunable fashion.…
Motivated by the successful synthesis of isolated ZrS2 and HfS2 transition metal dichalcogenide (TMD) monolayers and inspired by their nearly identical lattice constants, we construct and investigate a vertical ZrS2/HfS2 van der Waals (vdW)…
The spectral function A(q,omega) of silicon has been measured along a number of symmetry directions using high-energy high-resolution electron momentum spectroscopy. It is compared with first-principles calculations based on the interacting…
We study a model for orbitally degenerate Mott insulators, where localized electrons possess t_2g degrees of freedom coupled by several, competing, exchange mechanisms. We provide evidence for two distinct strongly fluctuating regimes,…
The topology of Weyl semimetals requires the existence of unique surface states. Surface states have been visualized in spectroscopy measurements, but their connection to the topological character of the material remains largely unexplored.…
Td-WTe2 is a topological Weyl semimetal. WTe2 in the orthorhombic structure is stable at room temperature. Elastic, electronic, bonding, and optoelectronic properties of WTe2 have been investigated in detail in this work using the density…
Correlated materials are known to display qualitatively distinct emergent behaviors at low energy. Conveniently, upon absorbing rapid quantum fluctuations, these rich low-energy behaviors can always be effectively described by dressed…
We investigate the interplay of the electron-electron and electron-phonon interactions in the electronic structure of an exotic insulating state in the layered dichalcogenide 1T-TaS2, where the charge-density-wave (CDW) order coexists with…
Multi-band Mott insulators with moderate spin-orbit and Hund's coupling are key reference points for theoretical concept developments of correlated electron systems. The ruthenate Mott insulator Ca$_{2}$RuO$_{4}$ has therefore been…
Kondo insulators are a paradigmatic strongly correlated electron system, arising from the hybridization between itinerary conduction electrons and localized magnetic moments, which opens a gap in the band of conduction electrons.…
We theoretically study physical properties of the low-energy quasiparticle excitations at the vortex core in the full-gap superconducting state of the Kondo lattice coupled to compensated metals. Based on the mean-field description of the…
VO2 material is promising for developing energy-saving "smart window", owing to its thermochromic property induced by metal-insulator transition (MIT). However, its practical application is greatly limited by the relatively high critical…
Wigner crystals, lattices made purely of electrons, are a quintessential paradigm of studying correlation-driven quantum phase transitions. Despite decades of research, the internal dynamics of Wigner crystals has remained extremely…
On the basis of a three orbital model and an effective attractive interaction between electrons we investigate the possible superconducting states, with $p$ and $f$-wave internal symmetry, of Sr$_2$RuO$_4$. For an orbital dependent…
Despite decades of progress, an understanding of unconventional superconductivity still remains elusive. An important open question is about the material dependence of the superconducting properties. Using the quasiparticle self-consistent…