相关论文: Microscopic Insight into the Electronic Structure …
We study the interplay between charge doping and intermolecular distance in the polymerization of C60 fullerene chains by means of density functional theory (DFT)-based first principle calculations. The potential energy surface analysis…
We argue that recent measurements on both the superfluid density and the optical conductivity of high-quality LSCO films can be understood almost entirely within the theory of disordered BCS d-wave superconductors. The large scattering…
The electron doping of undoped high-$T_c$ cuprates via the transfer of charge from manganites (or other oxides) using heterostructure geometries is here theoretically discussed. This possibility is mainly addressed via a detailed analysis…
The electrochemical doping transformation in organic semiconductor devices is studied in application to light-emitting cells. It is shown that the device performance can be significantly improved by utilizing new fundamental properties of…
We theoretically investigate the doping evolution of the electronic state of high-Tc cuprate on both sides of the half-filling on the basis of the three-dimensional three-band Hubbard model with a layered structure using the Hartree-Fock…
Transition metal dichalcogenide field-effect transistors (FETs) have been actively explored for low-power electronics, light detection, and sensing. Albeit promising, their performance is strongly limited by low-frequency noise (LFN). Here,…
The stability, electronic structure, optical and thermoelectric properties of Te-doped BaTiO3 are investigated by first-principal calculation based on the density functional theory and Boltzmann transport theory implemented in WIEN2K and…
WTe$_2$ is a multifunctional quantum material exhibiting numerous emergent phases in which tuning of the carrier density plays an important role. Here we demonstrate two non-monotonic changes in the electronic structure of WTe$_2$ upon…
Topological semimetals (TSs) are promising candidates for low-power spin-orbit torque (SOT) devices due to their large charge-to-spin conversion efficiency. Here, we investigated the charge-to-spin conversion efficiency of amorphous PtSn4…
The study of the electromagnetic response in cuprate superconductors plays a crucial role in the understanding of the essential physics of these materials. Here the doping dependence of the electromagnetic response in cuprate…
Since advanced Silicon-based device components are moderately chemically tunable, doped graphene has emerged as a promising candidate to replace this semiconducting material in flexible miniaturized electronic devices. Indeed, heteroatom…
Ab-initio spin-polarized Density Functional Theory plus U is used to study the electronic and magnetic properties of tetragonal doped barium titanate (Ba$_{1-x}$Eu$_x$O$_3$) system for different europium (Eu$^{3+}$) concentrations. For this…
The path from a Mott insulating phase to high temperature superconductivity encounters a rich set of unconventional phenomena involving the insulator-to-metal transition (IMT) such as emergent electronic orders and pseudogaps that…
Bipartite charge fluctuations (BCF) have been introduced to provide an experimental indication of many-body entanglement. They have proved themselves to be a very efficient and useful tool to characterize quantum phase transitions in a…
Based on ab-initio calculated parameters, we apply a theoretical model on the iron-based BaFe2As2 superconductor that takes into account dramatic enhancements of the electron-phonon coupling of soft transverse phonons in the FeAs layers and…
The nature of superconductivity in the dilute semiconductor SrTiO$_3$ has remained an open question for more than 50 years. The extremely low carrier densities ($10^{18}$ - $10^{20}$ cm$^{-3}$) at which superconductivity occurs suggests an…
Density functional theory calculations are used to show that it is possible to dope semiconducting transition metal dichalcogenides (TMD) such as MoS$_2$ and WS$_2$ with electrons and/or holes either by chemical substitution or by…
Doping is a widely used method to tune physical properties of ferroelectric perovskites. Since doping can induce charges due to the substitution of certain elements, charge effects shall be considered in doped samples. To understand how…
In organic electronics, conductivity doping is used primarily to eliminate charge injection barriers in organic light-emitting diodes, organic photovoltaics and other electronic devices. Therefore, research on conductivity doping is…
Earlier we have proposed a new approach to the analysis of superconducting phase diagrams for cuprates and pnictides and have shown that the positions of superconducting domes on the diagrams can be predicted with high accuracy proceeding…