Related papers: Understanding doped perovskite ferroelectrics with…
The evolution of static dielectric constants and polarization with doping are analyzed and discussed using established experimental results. The variation of screened Coulomb potential with doping is derived theoretically to justify the…
The phase diagram of electron-doped pnictides is studied varying the temperature, electronic density, and isotropic quenched disorder strength by means of computational techniques applied to a three-orbital ($xz$, $yz$, $xy$) spin-fermion…
Ferroelectric hafnia (HfO2) holds promise for next-generation memory and logic applications because of its CMOS compatibility. However, the high coercive field required for polarization switching in HfO2 remains a critical challenge for…
Using first-principles calculations, we estimated the impact of large applied electric E fields on the structural, dielectric, and ferroelectric properties of typical ferroelectrics. At large fields, the structural parameters change…
We study the effects of bismuth doping on the crystal structure and phase transitions in single crystals of the perovskite semiconductor methylammonium lead tribromide, MAPbBr3. By measuring temperature-dependent specific heat capacity (Cp)…
In this study, we analyze the dielectric function of high-Tc cuprates as a function of doping level, taking into account the full energy band dispersion within the CuO$_2$ monolayer. In addition to the conventional two-dimensional (2D)…
We report modifications of the ferroelectric and electrocaloric properties of BaTiO$_3$ by defects. For this purpose, we have combined \textit{ab initio}-based molecular dynamics simulations with a simple model for defects. We find that…
To study the effects appearing under mechanical stresses, we have used the model of glycinium phosphite ferroelectric, modified by taking into account the piezoelectric coupling of ordering structure elements with lattice strains. In the…
This research study the sol/gel synthesis of lithium-doped barium stannate titanate BaTi0.89Sn0.11O3 (BTS11) and investigates how varying composition with lithium affect its structural, morphological, ferroelectric, optical, and electrical…
The microscopic coexistence of ferroelectricity and ferromagnetism in solids remains a fundamental challenge in condensed matter physics, with far-reaching implications for multifunctional materials and next-generation electronic devices.…
Pb-doping effect on physical properties of misfit-layered (Bi,Pb)-Sr-Co-O system, in which Co ions form a two-dimensional triangular lattice, was investigated in detail by electronic transport, magnetization and specific-heat measurements.…
We propose a model of magneto-electric effect in doped magnetic ferroelectrics. This magneto-electric effect does not involve the spin-orbit coupling and is based purely on the Coulomb interaction. We calculate magnetic phase diagram of…
The extrapolation of small-cluster exact-diagonalization calculations is used to study the influence of doping on valence transitions in the spinless Falicov-Kimball model at nonzero temperatures. Two types of doping are examined, and…
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…
Based on an effective model of a doped antiferromagnetic Mott insulator, we show that a doped hole will induce a dipole-like spin configuration in a spin ordered phase at low doping. The kinetic energy of doped holes is severely frustrated…
A theoretical analysis is presented on possible effects of disorder by dopants in high-temperature superconducting cuprate perovskites, to define their basic spectra of spin and electronic excitations, and the subsequent observable…
We report here on the electronic structure of electron-doped half-metallic ferromagnetic perovskites such Sr$_{2-x}$La$_x$FeMoO$_6$ ($x$=0-0.6) as obtained from high-resolved valence-band photoemission spectroscopy (PES). By comparing the…
It is experimentally shown, that doping an organic molecular crystal reduces diffusion rate of impurity. Also reduces its influence on a modification of temperature. Examinations are lead on a crystal paradibromobenzene doping by…
In this work we aim at understanding the effect of n-type and p-type substitutional doping in the case of matrix-embedded and freestanding Si nanocrystals. By means of ab-initio calculations we identify the preferential positioning of the…
Many strongly correlated systems exhibit strange metallic behavior in certain parameter regimes characterized by anomalous transport properties that are irreconcilable with a Fermi-liquid-like description in terms of quasiparticles. The…