相关论文: Charge effects in donor doped perovskite ferroelec…

While doping is widely used for tuning physical properties of perovskites in experiments, it remains a challenge to exactly know how doping achieves the desired effects. Here, we propose an empirical and computationally tractable model to…

Doping change and distortion effect on the double-exchange ferromagnetism are studied within a simplified double-exchange model. The presence of distortion is modelled by introducing the Falicov-Kimball interaction between itinerant…

Perovskite nitrides are starting to be explored for their promising properties distinct from their oxide counterparts. Here, through first-principles density functional computations, we study the intricate relationship between…

We explore the interplay between ferroelectricity and metallicity, which are generally considered to be contra-indicated properties, in the prototypical ferroelectric barium titanate, BaTiO$_3$. Using first-principles density functional…

Using first-principles density functional theory calculations, we investigated the effect of charge doping in a LaNiO$_3$/SrTiO$_3$ superlattice. The detailed analysis based on two different simulation methods for doping clearly shows that…

SrTiO$_{3}$ is an incipient ferroelectric and an exceptionally dilute superconductor with a dome-like dependence on carrier concentration. Stabilization of a polar phase through chemical substitution or strain significantly enhances the…

We present a simple model to study the electron doped manganese perovskites. The model considers the competition between double exchange mechanism for itinerant electrons and antiferromagnetic superexchange interaction for localized…

The effects of space charges on hysteresis loops and field distributions in ferroelectrics have been investigated numerically using the phenomenological Landau-Ginzburg-Devonshire theory. Cases with the ferroelectric fully and partially…

Fluorite structure ferroelectrics, especially hafnium oxide, are widely investigated for their application in non-volatile memories, sensors, actuators, RF devices and energy harvesters. Due to the metastable nature of the ferroelectric…

In metal/degenerately doped silicon bilayer structure, the interfacial flexoelectric effect due to strain gradient leads to charge carrier transfer from metal layer to the silicon layer. This excess charge carrier concentration is called…

In a ferroelectric field effect transistor (FeFET), it is generally assumed that the ferroelectric gate plays a purely electrostatic role. Recently it has been shown that in some cases, which could be called 'active FeFETs', electronic…

We show that charge doping can induce transitions between three distinct adsorbate phases in hydrogenated and fluorinated graphene. By combining ab initio, approximate density functional theory and tight binding calculations we identify a…

Spin-state transitions, observed in many transition metal compounds containing Co$^{3+}$ and Fe$^{2+}$, may occur with the change of temperature, pressure, but also with doping, in which case the competition of single-site effects and…

The evolution of electronic (spin and charge) excitations upon carrier doping is an extremely important issue in superconducting layered cuprates and the knowledge of its asymmetry between electron- and hole-dopings is still fragmentary.…

Phase diagram and critical properties are studied for three-dimensional double exchange model with and without quenched disorder. Employing the Monte Carlo method and the systematic analysis on the finite-size effect, we estimate the Curie…

The proposal of using the field-effect for doping organic crystals has raised enormous interest. To assess the feasibility of such an approach, we investigate the effect of a strong electric field on the electronic structure of C60…

The effects of doping on the electronic evolution of the Mott insulating state have been extensively studied in efforts to understand mechanisms of emergent quantum phases of materials. The study of these effects becomes ever more…

Charge doping of iron-pnictide superconductors leads to collective pinning of flux vortices, whereas isovalent doping does not. Moreover, flux pinning in the charge-doped compounds is consistently described by the mean-free path…

We explore the effect of charge carrier doping on ferroelectricity using density functional calculations and phenomenological modeling. By considering a prototypical ferroelectric material, BaTiO3, we demonstrate that ferroelectric…

Ferroelectric field-effect doping has emerged as a powerful approach to manipulate the ground state of correlated oxides, opening the door to a new class of field-effect devices. However, this potential is not fully exploited so far, since…