Related papers: Electron Doping Stabilization of Highly-Polar Supe…

Pyroelectricity refers to the accumulation of charges due to changes in the spontaneous polarization of ferroelectric materials when subjected to temperature variations. Typically, these pyroelectric charges are considered unstable and…

We suggest a new spin orientation mechanism for localized electrons: $dynamic~electron~spin~polarization~provided~by~nuclear~spin~fluctuations$. The angular momentum for the electrons is gained from the nuclear spin system via the hyperfine…

Polarization induced degenerate $n$-type doping with electron concentrations up to $\sim$10$^{20}$\,cm$^{-3}$ is achieved in graded Al$_{x}$Ga$_{1-x}$N layers ($x$: 0\%$\rightarrow$37\%) grown on unintentionally doped and on $n$-doped…

We derive a model for the highest occupied molecular orbital band of a C60 crystal which includes on-site electron-electron interactions. The form of the interactions are based on the icosahedral symmetry of the C60 molecule together with a…

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 {\it ab initio} band structure calculations and symmetry arguments, we show that the magnetic property of Ga$_{1-x}$Gd$_x$N is drastically different from TM-doped GaN. The coupling between Gd atoms in the alloy is antiferromagnetic,…

In this study, we investigate the formation of electron and hole small polarons in the prototypical ferroelectric material BaTiO3, with a focus on their interaction with ferroelectric distortive fields. To accurately describe the…

Conjugated polymers are increasingly used as organic mixed ionic-electronic conductors in electrochemical devices for neuromorphic computing, bioelectronics and energy harvesting. The design of efficient applications relies on high…

We use density-functional theory with a Hubbard correction to investigate Ti-centered electron polarons at neutral PbO-centered $180^\circ$ domain walls in tetragonal PbTiO$_{3}$. The Hubbard parameter for Ti $3d$ states is determined using…

We present a theory of the imprinting of the electron spin coherence and population in an n-doped semiconductor which forms a junction with a ferromagnet. The reflection of non-equilibrium semiconductor electrons at the interface provides a…

We have proposed the phenomenological description of polarization switching peculiarities in ferroelectric semiconductors with charged defects and prevailing extrinsic conductivity. Exactly we have modified Landau-Ginsburg approach shown…

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…

The symmetric studies on the structure-property relationship of the unpoled and poled states of 0.67BiFeO3-0.33BaTiO3 (0.67BF-0.33BT) were conducted to understand the origin of the morphotropic phase boundary (MPB) in BF-BT. A typical…

High-temperature (high-Tc) superconductivity in the copper oxides arises from electron or hole doping of their antiferromagnetic (AF) insulating parent compounds. The evolution of the AF phase with doping and its spatial coexistence with…

We systematically investigate the photoexcited (PE) quasi-particle (QP) relaxation and low-energy electronic structure in electron doped Ba(Fe_{1-x}Co_{x})_{2}As_{2} single crystals as a function of Co doping, 0<= x <=0.11. The evolution of…

A novel and direct method is proposed to assess the doping limits of semiconducting materials. Applied to the case of ZnO, our first-principles calculations demonstrate that p-type ZnO is thermodynamically unstable.

Emergent phenomena at polar-nonpolar oxide interfaces have been studied intensely in pursuit of next-generation oxide electronics and spintronics. Here we report the disentanglement of critical thicknesses for electron reconstruction and…

Ferroelectric (FE) metals have been attracting attention as they possess both metallicity and ferroelectricity, the two seemingly incompatible physical properties. An important problem for both fundamental research and potential…

The properties of the electron-phonon interaction in the presence of a sizable electronic repulsion at finite doping are studied by investigating the metallic phase of the Hubbard-Holstein model with Dynamical Mean Field Theory. Analyzing…

First-principles calculations for pristine neutral ferroelectric domain walls in BiFeO$_3$ reveal that excess electrons are selectively trapped by the domain walls, while holes are only weakly attracted. Such trapped excess electrons may be…