相关论文: Point Defects in Two-Dimensional RuCl3
Ruthenium trichloride is the subject of many recent experimental and theoretical studies. Johnson et al. infer a candidate for the magnetic structure (Cc2/m) from results gathered in an extensive set of experiments on an untwined sample of…
The family of atomically thin magnets holds great promise for a number of prospective applications in magneto-optoelectronics, with CrI$_3$ arguably being its most prototypical member. However, the formation of defects in this system…
Noncollinear spin textures in low-dimensional magnetic systems have been studied for decades because of their extraordinary properties and promising applications derived from the chirality and topological nature. However, material…
Strong light-matter interactions within nanoscale structures offer the possibility of optically controlling material properties. Motivated by the recent discovery of intrinsic long-range magnetic order in two-dimensional materials, which…
{\alpha}-phase Ruthenium (III) chloride ({\alpha}-RuCl3) has attracted significant attention because of its potential for realizing Kitaev quantum spin liquid. In this work, we employ first-principles many-body perturbation theory to study…
$\alpha$-RuCl$_3$ is a candidate Kitaev material that exhibits zigzag antiferromagnetic ordering below 7 K. One contentious issue regarding this material is its bulk structure in the low-temperature phase. Recently, it has become generally…
Recent experiments revealed that monolayer $\alpha$-RuCl$_3$ can be obtain by chemical exfoliation method and exfoliation or restacking of nanosheets can manipulate the magnetic properties of the materials. In this present paper, the…
Defects are inevitably present in two-dimensional (2D) materials and usually govern their various properties. Here a comprehensive density functional theory-based investigation of 7 kinds of point defects in a recently produced {\gamma}…
The newly synthesized two-dimensional polyaniline (C3N) is structurally similar to graphene, and has interesting electronic, magnetic, optical, and thermal properties. Motivated by the fact that point defects in graphene give rise to…
In the study of van der Waals-layered magnetic materials, the properties of CrCl$_3$ continue to attract attention. This compound is reported to undergo antiferromagnetic (AFM) ordering below $\sim$14 K, with a ferromagneticlike region…
We present a detailed analysis of the role of native point defects in the antiferromagnetic (AFM) phases of bulk chromium nitride (CrN). We perform first-principles calculations using local spin-density approximation, including local…
In order to control the dimensionality and the topology of the arrangement of magnetic Ru ions, NaCl-type lithium ruthenates have been investigated. Three types of lithium ruthenates, Li$_{3}$RuO$_{4}$, Li$_{2}$RuO$_{3}$, and…
The majority of research on $\alpha$-RuCl$_3$ has focused on applying in-plane magnetic fields to suppress antiferromagnetic order and induce a quantum spin liquid (QSL). However, this effort has been complicated by the materials…
Control of impurity concentrations in semiconducting materials is essential to device technology. Because of their intrinsic confinement, the properties of two-dimensional semiconductors such as transition metal dichalcogenides (TMDs) are…
The structures, point defects and impacts of fission products for U3Si (\b{eta}-U3Si and {\gamma}-U3Si) and USi2 ({\alpha}-USi2 and \b{eta}-USi2) are studied by first-principles calculations. The lattice parameters of U3Si and USi2 are…
Defects can strongly influence the electronic, optical and mechanical properties of 2D materials, making defect stability under different thermodynamic conditions crucial for material-property engineering. In this paper, we present an…
Point defects in crystalline materials often occur in multiple charge states. Although many experimental methods to study and explore point defects are available, techniques to explore the non-equilibrium dynamics of the charge states of…
Theoretical and experimental studies present that metal halogens in MX$_3$ forms can show very interesting electronic and magnetic properties in their bulk and monolayer phases. Many MX$_3$ materials have layered structures in their bulk…
We present out-of-plane dielectric and magnetodielectric measurements of single crystallines $\alpha$-RuCl$_3$ with various degrees of stack faults. A frequency dependent, but field independent, dielectric anomaly appears at…
Layered {\alpha}-RuCl3 is a promising material to potentially realize the long-sought Kitaev quantum spin liquid with fractionalized excitations. While evidence of this exotic state has been reported under a modest in-plane magnetic field,…