Related papers: Point Defects in Two-Dimensional RuCl3
Topologically ordered states of matter are generically characterized by excitations with quantum number fractionalization. A prime example is the spin liquid realized in Kitaev's honeycomb-lattice compass model where spin-flip excitations…
We have used tight-binding molecular-dynamics simulations to investigate the role of point defects (vacancies and interstitials) on structural relaxation in amorphous silicon. Our calculations give unambiguous evidence that point defects…
The spin-orbital entangled states are of great interest as they hold exotic phases and intriguing properties. Here we use first-principles calculations to investigate the electronic and magnetic properties of RuI$_{3}$ and RuCl$_{3}$ in…
Point defects in the binary group-IV monochalcogenide monolayers of SnS, SnSe, GeS, GeSe are investigated using density-functional-theory calculations. Several stable configurations are found for oxygen defects, however we give evidence…
We report magnetization and neutron diffraction studies on crystal and magnetic structures of Ir- and Rh-substituted honeycomb lattice $\alpha$-RuCl$_3$. The iridium or rhodium atoms are distributed at the Ru site with little structural…
Defects on surfaces of semiconductors have a strong effect on their reactivity and catalytic properties. The concentration of different charge states of defects is determined by their formation energies. First-principles calculations are an…
This paper presents first principles calculations of paramagnetic cubic CrN$_x$ with the aim to provide deeper insight into recently published transmission electron microscopy-based study on this material. Among several types of point…
The magnetic structure of RuO2 and the Ru atomic configuration are unknown. A magnetic structure is inferred by confronting measured and calculated Bragg diffraction patterns and adjusting the latter to achieve satisfactory agreement. An…
Muon spin rotation measurements have been performed on a powder sample of a-RuCl3, a layered material which previously has been proposed to be a quantum magnet on a honeycomb lattice close to a quantum spin liquid ground state. Our data…
Cubic hafnia (HfO$_2$) is of great interest for a number of applications in electronics because of its high dielectric constant. However, common defects in such applications degrade the properties of hafina. We have investigated the…
Topological defects are ubiquitous, they manifest in a wide variety of systems such as liquid crystals, magnets or superconductors. The recent quest for nonabelian anyons in condensed matter physics stimulates the interest for topological…
Single spin defects in 2D transition-metal dichalcogenides are natural spin-photon interfaces for quantum applications. Here we report high-field magneto-photoluminescence spectroscopy from three emission lines (Q1, Q2 and Q*) of He-ion…
In this paper, we report the growth of pure {\alpha}-MoO3 micro-flakes by CVD technique and their structural, electronic, optical, and magnetic properties. Samples are annealed at various temperatures in an H2 atmosphere to induce…
Calcium ruthenate ($CaRuO_3$) is widely believed to be located close to a quantum critical point due to the strong non-Fermi-liquid behavior expressed in the temperature dependence of electronic transport, specific heat, optical…
Equilibrium vortex configuration in conventional type II superconductors containing columnar defects is theoretically investigated. Near the upper critical field a single defect causes a strong local deformation of the vortex lattice. This…
We present systematic first-principles results for the electronic and magnetic properties of two-dimensional transition-metal trihalide monolayers MX3 (M = V, Cr, Mn, Fe, Ni, Pd; X = F, Cl, Br, I), focusing on their potential to host the…
Some oxygen defective metal oxides, such as cerium and bismuth oxides, have recently shown exceptional electrostrictive properties that are even superior to the best performing lead-based electrostrictors, e.g. lead-magnesium-niobates…
A three-level system with partially broken SU(3) symmetry immersed in a metal, comprised of a unique non-interacting ground state and two-fold degenerate excited states, exhibits a stable two-channel Kondo fixed point within a wide range of…
Point defects are ubiquitous in two dimensional crystals and play a fundamental role in determining their mechanical and thermodynamical properties. When crystals are formed on a curved background, finite length grain boundaries (scars) are…
Ca$_3$Ru$_2$O$_7$ undergoes an antiferromagnetic transition at $T_{\text{N}}=56 $K, followed by a Mott-like (MI) transition at $T_{\text{MI}}=48$ K. This nonmetallic ground state, with a charge gap of 0.1 eV, is suppressed by a highly…