Related papers: Charge effects in donor doped perovskite ferroelec…
In the spin-excitation-mediated pairing mechanism for superconductivity, the geometric frustration effects not only the spin configuration but also the superconducting-state properties. Within the framework of the kinetic-energy-driven…
We use first-principles methods to study doped strong ferroelectrics (taking BaTiO$_3$ as a prototype). Here we find a strong coupling between itinerant electrons and soft polar phonons in doped BaTiO$_3$, contrary to Anderson/Blount's…
We theoretically study the carrier doping effect for magnetism in a stacked-kagome system $\rm{{Co}_3{Sn}_2{S}_2}$ based on an effective model and the Hartree-Fock method. We show the electron filling and temperature dependences of the…
Many dipolar topological structures have been experimentally demonstrated in (PbTiO$_3$)$_n$/(SrTiO$_3$)$_n$ superlattices, such as flux-closure, vortice, and skyrmion. In this work, we employ deep potential molecular dynamics (MD) to…
We systematically studied the magnetic and transport properties for the polycrystalline samples of Fe-doped perovskite cobaltites: Pr$_{1-y}$Ca$_{y}$Co$_{1-x}$Fe$_x$O$_3$ ($y$=0.3, $x$=0-0.15; $y$=0.45, $x$=0-0.3) and…
We have investigated the fluorine-doping dependence of lattice constants, transports and specific heat for polycrystalline LaFePO1-xFx. F doping slightly and monotonically decreases the in-plane lattice parameter. In the normal state,…
We investigate the doping dependence of the nanoscale electronic and magnetic inhomogeneities in the hole-doping range 0.002<x<0.1 of cobalt based perovskites, La{1-x}Sr_xCoO_3. Using single crystal inelastic neutron scattering and…
We use combine high resolution neutron diffraction (HRPD) with density functional theory (DFT) to investigate the exchange striction at the Curie temperature (TC) of Fe2P and to examine the effect of boron and carbon doping on the P site.…
The doping and temperature dependent conductivity of electron-doped cuprates is analysed. The variation of kinetic energy with doping is shown to imply that the materials are approximately as strongly correlated as the hole-doped materials.…
Impurity effects on the stability of a ferromagnetic metallic state in a bicritical-state manganite, (La0.7Pr0.3)0.65Ca0.35MnO3, on the verge of metal-insulator transition have been investigated by substituting a variety of transition-metal…
The recombination of charges is an important process in organic photonic devices because the process influences the device characteristics such as the driving voltage, efficiency and lifetime. By combining the dipole trap theory with the…
The properties of ferroelectric materials, such as lead zirconate titanate (PZT), are heavily influenced by the interaction of defects with domain walls. These defects are either intrinsic, or are induced by the addition of dopants. We…
We explore the competiton of doped holes and defects that leads to the loss of orbital order in vanadate perovskites. In compounds such as La$_{1-{\sf x}}$Ca$_{\,\sf x}$VO$_3$ spin and orbital order result from super-exchange interactions…
The mechanism of field-effect doping in the "123" high critical temperature superconductors (HTS) has been investigated by x-ray absorption spectroscopy in the presence of an electric field. We demonstrate that holes are created at the CuO…
We performed density functional theory calculations on heterostructures of single layers of hexagonal BN and MoS$_2$ to assess the effect of doping in the BN sheet and of interstitial Na atoms on the electronic properties of the adjacent…
The two-orbital Hubbard model for the pnictides is studied numerically using the real-space Hartree-Fock approximation on finite clusters. Upon electron doping, states with a nonuniform distribution of charge are stabilized. The observed…
We report density functional calculations of the electronic structure and Fermi surface of the BaFe$_2$As$_2$ and LiFeAs phases including doping via the virtual crystal approximation. The results show that contrary to a rigid band picture,…
By using solid state reaction method we have fabricated the hole doped $La_{1-x}Sr_xFeAsO$ superconductors with Sr content up to 0.13. It is found that the sharp anomaly at about 150 K and the low temperature upturn of resistivity are…
Metal-halide perovskite nanocrystals have demonstrated excellent optoelectronic properties for light-emitting applications. Isovalent doping with various metals (M2+) can be used to tailor and enhance their light emission. Although crucial…
We use the Local Density Approximation in combination with the Dynamical Mean Field Theory to investigate intermediate energy properties of the copper oxides. We identify coherent and incoherent spectral features that results from doping a…