Related papers: Local correlations and hole doping in NiO: a dynam…
We explore the superconducting properties of the bilayer Hubbard model, which exhibits a high transition temperature ($T_{\rm c}$) for an $s_{\pm}$ pairing, using a cluster extension of the dynamical mean-field theory. Unlike the…
The study of phonon coupling in doped semiconductors via electrical transport measurements is challenging due to unwanted temperature-induced effects such as dopant ionisation and parallel conduction. Here, we study phonon scattering in 2D…
Having access to the chemical environment at the atomic level of a dopant in a nanostructure is crucial for the understanding of its properties. We have performed atomically-resolved electron energy-loss spectroscopy to detect individual…
We present experimental photoemission and inverse photoemission spectra of SrTiO$_{3- \delta}$ representing electron doped $d^0$ systems. Photoemission spectra in presence of electron doping exhibit prominent features arising from electron…
Nb3O2(OH) has emerged as a highly attractive photocatalyst based on its chemical stability, energetic band positions, and large active lattice sites. Compared to other various photocatalytic semiconductors, it can be synthesized easily.…
We study the effects of hole doping on the two-dimensional Heisenberg-Kondo model around the quantum critical point, where the spin liquid phase (Kondo insulator) and the magnetically ordered phase are separated via a second-order phase…
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…
We investigate the possibility of multi-band superconductivity in SrTiO$_{3}$ films and interfaces using a two-dimensional two-band model. In the undoped compound, one of the bands is occupied whereas the other is empty. As the chemical…
In this paper we investigate the electronic and superconducting properties in nickelate compounds of NiO2 through Perturbative Density Functional Theory (P-DFT) and multi-band BCS theory. We consider three different cases of study (i) the…
We compute high-resolution angle-resolved photoemission spectroscopy of the Hubbard model using the unbiased determinant quantum Monte Carlo algorithm, revealing an asymmetry between electron and hole doping. Electron doping exhibits more…
The simultaneous presence of sizable spin-orbit interactions and electron correlations in iridium oxides has led to predictions of novel ground states including Dirac semimetals, Kitaev spin liquids, and superconductivity. Electron and hole…
Angular-resolved photoemission data on half-filled doped cuprate materials are compared with an exact-diagonalization analysis of the three-band Hubbard model, which is extended to the infinite lattice by means of a perturbation in the…
We use the Local Density Approximation in combination with the Dynamical Mean Field Theory to carry out a comparative investigation of a typical electron doped and a typical hole doped copper oxide, NCCO and LSCO respectively. The parent…
We report accurate energetics of defects introduced in GaN on doping with divalent metals, focussing on the technologically important case of Mg doping, using a model which takes into consideration both the effect of hole localisation and…
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…
We derive an effective Hamiltonian for highly correlated $t_{2g}$ states centered at the Co sites of Na$_x$CoO$_2$. The essential ingredients of the model are an O mediated hopping, a trigonal crystal-field splitting, and on-site effective…
We investigate the influence of an unoccupied band on the transport properties of a strongly correlated electron system. For that purpose, additional orbitals are coupled to a Hubbard model via hybridization. The filling is one electron per…
Despite the highly porous nature with significantly large surface area, metal organic frameworks (MOFs) can be hardly used in electronic, and optoelectronic devices due to their extremely poor electrical conductivity. Therefore, the study…
While both the hole and electron doped cuprates can exhibit $d_{x^2-y^2}$-wave superconductivity, the local distribution of the doped carriers is known to be significantly different with the doped holes going primarily on the O sites while…
The difficulty of determining cation concentrations and oxygen stoichiometry in infinite-layer nickelate thin films has so far prevented clear experimental identification of the nickel electron configuration in the superconducting phase. We…