相关论文: Hole doping MgB$_2$ without chemical substitution
The combination of configuration interaction and many-body perturbation theory methods (CI+MBPT) is extended to non-perturbatively include configurations with electron holes below the designated Fermi level, allowing us to treat systems…
The discovery of graphene has put the spotlight on other layered materials including transition metal dichalcogenites (TMD) as building blocks for novel heterostructures assembled from stacked atomic layers. Molybdenum disulfide, MoS2, a…
Recent experimental work on Mn2RuxGa demonstrates its potential as a compensated ferrimagnetic half-metal (CFHM).Here we present a set of high-throughput ab initio density functional theory calculations and detailed experimental…
We study electromagnetic properties of a double layer graphene system in which electrons from one layer are coupled with holes from the other layer. The gauge invariant linear response functions are obtained. The frequency dependences of…
We investigate the electronic structure of nickelate superconductor NdNiO2 upon hole doping, by means of density-functional theory and dynamical mean-field theory. We demonstrate the strong intrinsic hybridization between strongly…
We present the results of fully-relaxed, full-potential electronic structure calculations for the new superconductor MgB2, and BeB2, NaB2, and AlB2, using density-functional-based methods. Our results described in terms of (i) density of…
Experimental setups for charge transport measurements are typically not compatible with the ultra-high vacuum conditions for chemical doping, limiting the charge carrier density that can be investigated by transport methods. Field-effect…
In contrast to hole-doped systems which have hole pockets centered at $(\pm \frac{\pi}{2a},\pm \frac{\pi}{2a})$, in lightly electron-doped antiferromagnets the charged quasiparticles reside in momentum space pockets centered at…
A variational Monte Carlo calculation is used for studying the ground state of the two-dimensional Hubbard model, including hopping between both nearest and next-nearest neighbor sites. Superconductivity with d-wave symmetry is found to be…
We construct the low energy theory of a doped Mott insulator, such as the high-temperature superconductors, by explicitly integrating over the degrees of freedom far away from the chemical potential. For either hole or electron doping, a…
The electronic transport properties of graphene-based superlattice structures are investigated. A graphene-based modulation-doped superlattice structure geometry is proposed and consist of periodically arranged alternate layers:…
Point-contact measurements on the carbon-substituted Mg(B$_{1-x}$C$_x$)$_2$ filament/powder samples directly reveal a retention of the two superconducting energy gaps in the whole doping range from $x = 0$ to $x \approx 0.1$. The large gap…
Two-dimensional (2D) multiferroics attract intensive investigations because of underlying science and their potential applications. Although many 2D systems have been observed/predicted to be ferroelectric or ferromagnetic, 2D materials…
Ultrathin CrSBr flakes are exfoliated \emph{in situ} on Au(111) and Ag(111) and their electronic structure is studied by angle-resolved photoemission spectroscopy. The thin flakes' electronic properties are drastically different from those…
We investigate the thermodynamic and transport properties of molybdenum-doped BaFe2As2 (122) crystals, the first report of hole doping using a 4d element. The chemical substitution of Mo in place of Fe is possible up to ~ 7%. For…
With first-principles DFT calculations, the interaction between graphene and SiO2 surface has been analyzed by constructing the different configurations based on {\alpha}-quartz and cristobalite structures. The single layer graphene can…
The interplay between charge and spin dynamics is at the heart of strongly correlated materials. Inspired by recent quantum simulation experiments, we develop a conserving diagrammatic method to describe the Fermi-Hubbard model for strong…
We develop a first-principles theoretical approach to doping in field-effect devices. The method allows for calculation of the electronic structure as well as complete structural relaxation in field-effect configuration using…
We theoretically investigate inhomogeneity effects on the charges, electric field gradients and site-projected densities of states in HgBa$_2$CuO$_{4+\delta}$. We find pronounced differences in the doping-induced number of holes at…
It is widely recognised that the effect of doping into a Mott insulator is complicated and unpredictable, as can be seen by examining the Hall coefficient in high $T_{\rm c}$ cuprates. The doping effect, including the electron-hole doping…