相关论文: Polaronic hole-trapping in doped $\rm BaBiO_3$

BaBiO3 is a prototype ``charge ordering system'' forming interpenetrating sublattices with nominal valence Bi(3+) and Bi(5+). It can also be regarded as a three-dimensional version of a Peierls insulator, the insulating gap being a…

Bipolaronic superconductivity is an exotic pairing mechanism proposed for materials like Ba$_{1-x}$K$_x$BiO$_3$ (BKBO); however, conclusive experimental evidence for a (bi)polaron metallic state in this material remains elusive. Here, we…

In the previous paper, it was shown that holes doped into BaBiO3 self-trap as small polarons and bipolarons. These point defects are energetically favorable partly because they undo locally the strain in the charge-density-wave (Peierls…

We have studied the three-band Peierls-Hubbard model describing the Cu-O layers in high-T$_c$ superconductors by using Lanczos diagonalization and assuming infinite mass for the ions. When the system is doped with one hole, and when the…

BaBiO$_3$ is a charged ordered Peierls-like perovskite well known for its superconducting properties upon K or Pb doping. We present a study on the transport and electronic properties of BaBiO$_3$ perovskite with strong Bi-deficiency. We…

We report a density functional study on the evolution of the electronic and lattice structure in BiFeO$_3$ with injected electrons and holes. First, the self-trapping of electrons and holes were investigated. We found that the injected…

Electron and hole trapping was studied in the Ce3+ and Pr3+ doped Lu2Si2O7 scintillation single crystals (LPS:Ce and LPS:Pr) by Electron Paramagnetic Resonance (EPR). Detailed EPR measurements of the X-ray irradiated LPS crystals revealed…

The electronic and optical properties of self-trapped holes in kappa-phase orthorhombic Ga2O3 in conjunction with isoelectronic and acceptor dopants were studied using hybrid density functional theory. Hole trapping was found to be…

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…

The Rice-Sneddon model for BaBiO$_3$ is a nice model Hamiltonian for considering the properties of polarons and bipolarons in a three-dimensional oxide crystal. We use exact diagonalization methods on finite samples to study the stability…

Polaronic features similar to those previously observed in the photoinduced spectra of cuprates have been detected in the reflectivity spectra of chemically doped parent compounds of high-critical-temperature superconductors, both $n$-type…

Polarons can naturally form in materials from the interaction of extra charge carriers with the atomic lattice. Ubiquitous, they are central to various topics and phenomena such as high-T$_c$ superconductivity, electrochromism,…

At hole concentrations below x=0.4, Ba_(1-x)K_xBiO_3 is non-metallic. At x=0, pure BaBiO3 is a Peierls insulator. Very dilute holes create bipolaronic point defects in the Peierls order parameter. Here we find that the Rice-Sneddon version…

Topological insulators are a new class of insulators with conducting surface state. Most of the topological insulators are chalcogenides, where a tiny amount of chalcogen vacancy destroys the predicted bulk insulating state and results in a…

CaMnO3 is a simple bi-partite antiferromagnet(AF) which can be continuously electron-doped up to LaMnO3. Electrons enter the doubly degenerate E_g subshell with spins aligned to the S=3/2 core of Mn^4+ (T_2g^3)$. We take the Hubbard and…

Using long C_{N}H_{2} conjugated carbon chains with the polyynic structure as prototypical examples of one-dimensional (1D) semiconductors, we discuss self-localization of excess charge carriers into 1D large polarons in the presence of the…

Bismuth perovskites ABiO$_3$ (A = Sr, Ba) host a variety of peculiar phenomena including bond-disproportionated insulating phases and high-temperature superconductivity upon hole doping. While the mechanisms underlying these phenomena are…

Acceptor-doped perovskite oxides like BaZrO$_3$ are showing great potential as materials for renewable energy technologies where hydrogen acts an energy carrier, such as solid oxide fuel cells and hydrogen separation membranes. While ionic…

We study numerically self-trapped (polaron) states of quasiparticles (electrons, holes or excitons) in a deformable nanotube formed by a hexagonal lattice, wrapped into a cylinder (carbon- and boron nitride-type nanotube structures). We…

We present a Hamiltonian in real space which is well suited to study numerically the behavior of holes introduced in III-V semiconductors by Mn doping when the III$^{3+}$ ion is replaced by Mn$^{2+}$. We consider the actual lattice with the…