Related papers: Competition between exchange-driven dimerization a…
We investigate the chiral magnetic order in free-standing planar 3$d$-5$d$ bi-atomic metallic chains (3$d$: Fe, Co; 5$d$: Ir, Pt, Au) using first-principles calculations based on density functional theory. We found that the antisymmetric…
Flat bands result in a divergent density of states and high sensitivity to interactions in physical systems. While such bands are well known in systems under magnetic fields, their realization and behavior in zero-field settings remain…
We study an s-wave superconductivity in a one-dimensional dimerized diamond lattice in the presence of spin-orbit coupling and Zeeman field. The considered diamond lattice, comprising of three sublattices per unitcell and having flat band,…
We study the electronic properties of the glide set of dislocations in diamond from first principles using hybrid exchange correlation functionals and find that the atomic-scale dislocation core states give rise to a prototypical…
A new mechanism of the Verway transition in magnetite (Fe3O4), which has been argued to be a charge ordering transition so far, is proposed. Based on the mean field calculations for the three band model of spinless fermions appropriate for…
Using density functional theory, we investigate the electronic structure of the alpha phase of an antimony monolayer in its isolated form and in contact to the (111) surface of gold. We demonstrate that the isolated single-layer actually…
We establish exact results for the one-dimensional spin-orbital model for special values of the four-spin interaction $V$ and dimerization parameter $\delta$. The first exact result is at $\delta=1/2$ and $V=-2$. Because we find a very…
We study indirect exchange interactions between localized spins of magnetic impurities in spin-valley coupled systems described with the Kane-Mele model. Our model captures the main ingredients of the energy bands of 1H transition metal…
Topological superconductors should be able to provide essential ingredients for quantum computing, but are very challenging to realize. Spin-orbit interaction in iron-based superconductors opens the energy gap between the $p$-states of…
The interaction between surface-lying nitrogen-substituted fullerenes (radical azafullerene, C$_{59}$N$^\bullet$) with sub-surface negative nitrogen-vacancy complexes (NV$^-$) in diamond is investigated using first principles calculations.…
The ground state of a one-dimensional Hubbard model with a bond-charge attraction W term at half-filling is investigated by the density matrix renormalization group method. It is confirmed that the spin gap will be closed at U>8W. But the…
Evidence of flat-band magnetism and half-metallicity in compressed twisted bilayer graphene is provided with first-principles calculations. We show that dynamic band-structure engineering in twisted bilayer graphene is possible by…
The electronic and magnetic properties of a neutral substitutional nickel (Ni$_s^0$) impurity in diamond are studied using density functional theory in the generalized gradient approximation. The spin-one ground state consists of two…
Twisted van der Waals materials have become a paradigmatic platform to realize exotic correlated states of matter. Here, we show that a twisted dichalcogenide bilayer (WSe$_2$) encapsulated between a magnetic van der Waals material…
We report density-matrix renormalization group calculations of spin gaps in the quarter-filled correlated two-leg rectangular ladder with bond-dimerization along the legs of the ladder. In the small rung-coupling region, dimerization along…
Two-dimensional atomic crystals can radically change their properties in response to external influences such as substrate orientation or strain, resulting in essentially new materials in terms of the electronic structure. A striking…
The phenomenon of spin-dependent quantum scattering in two-dimensional (2D) pseudospin-1/2 Dirac materials leading to a relativistic quantum chimera was recently uncovered. We investigate spin-dependent Dirac electron optics in 2D…
We present a theoretical analysis of the electron spin decoherence in single Nitrogen-Vacancy defects in ultra-pure diamond. The electron spin decoherence is due to the interactions with Carbon-13 nuclear spins in the diamond lattice. Our…
The spectral properties of a non-Hermitian quasi-1D lattice in two of the possible dimerization configurations are investigated. Specifically, it focuses on a non-Hermitian diamond chain that presents a zero-energy flat band. The flat band…
We consider the ground state and the elementary excitations of an array of spin-Peierls chains coupled by elastic and magnetic interactions. It is expected that the effect of the magnetic interchain coupling will be to reduce the…