相关论文: Effects of Cation Vacancy Distribution in Doped La…
La1-xCaxMnO3+delta and La1-xNaxMnO3+delta samples with well defined cation molecularity and oxygen contents are analyzed with XRPD, electrical conductivity, electron paramagnetic resonance and static magnetization measurements. Point…
Mn is used as a dopant to improve the electromechanical properties of perovskite oxides. We elucidate the role of Mn defects and associated vacancies on the electronic, atomic and ferroelectric properties of BaTiO$_3$. Using density…
Oxygen vacancies are critical for determining the electrochemical performance of fast oxygen ion conductors. The perovskite La$_{0.5}$Sr$_{0.5}$CoO$_3$, known for its excellent mixed ionic-electronic conduction, has attracted significant…
The structure, electronic, and magnetic properties of the Mo-doped perovskite La0.7Ca0.3Mn1-xMoxO3 (x < 0.1) have been studied. A significant increase in resistivity and lattice parameters were observed with Mo doping. A marginal decrease…
Versatile features of impurity doping effects on perovskite manganites, $R_{0.6}$Sr$_{0.4}$MnO$_{3}$, have been investigated with varying the doing species as well as the $R$-dependent one-electron bandwidth. In ferromagnetic-metallic…
The chemical influence in the phase separation phenomenon that occurs in perovskite manganites is discussed by means of ab initio calculations. Supercells have been used to simulate a phase separated state, that occurs at Ca concentrations…
The structural and magnetic properties of transition metal-doped Mn$_3$SnC are studied with an aim to understand the effect of transition metal atom on magnetostructural properties of the antiperovskite compound. The doped…
We report a study of polycrystalline samples of the family La1-xCdxMnO3+dwith different percentage of Mn4+ ions. X-rays diffraction, Iodometric titration, Raman, Magnetic and Electrical Resistivity measurements provide a general…
The effect of Cu-doping at Mn-site on structural, magnetic and transport properties in electron-doped manganites La0.85Te0.15Mn1-xCuxO3 has been investigated. Based on the analysis of structural parameter variations, the valence state of…
We investigate effects of doping on formation energy and concentration of oxygen vacancies at a metal oxide surface, using MgO (100) as an example. Our approach employs density-functional theory, where the performance of the…
Results of LSDA and LSDA+U calculations of the electronic structure and magnetic configurations of the 50% hole-doped pseudocubic perovskite La0.5Sr0.5MnO3 and double layered LaSr2Mn2O7 are presented. We demonstrate that the on-site Coulomb…
Considering the disorder caused in manganites by the substitution of Mn by Fe or Ga, we accomplish a systematic study of doped manganites begun in previous papers. To this end, a disordered model is formulated and solved using the…
Recently, based on the refined crystal structure of Pr0.6Ca0.4MnO3 from neutron diffraction, Daoud-Aladine et al.[PRL89,97205(2002)] have proposed a new ground state structure for the half-doped manganites R0.5Ca0.5MnO3, where R is a…
The effects of inter-defect interaction and impurity disorder on defect thermodynamics, local ion coordination, and oxidation in acceptor-doped wide-gap ABO3 perovskites are explored using the developed statistical theory and Monte Carlo…
We use first-principles calculations based on density functional theory to investigate the interplay between oxygen vacancies, A-site cation size / tolerance factor, epitaxial strain, ferroelectricity and magnetism in the perovskite…
The oxygen-exchange behavior has been studied in half-doped manganese and cobalt perovskite oxides. We have found that the oxygen diffusivity in Gd_{0.5}Ba_{0.5}MnO_{3-\delta} can be enhanced by orders of magnitude by inducing…
We present a detailed study of the polycrystalline perovskite manganites La0.67Ca0.33AlxMn1-xO3 (x = 0, 0.1, 0.15, 0.5) at low temperatures and high magnetic fields, including electrical resistance, magnetization, ac susceptibility. The…
Manipulating oxygen vacancies in strongly correlated rare-earth nickelate perovskites (RNiO$_3$) enables the tuning of their elusive metal-insulator transition (MIT), providing a better handle for control over their electronic properties.…
Effect of Co, Ru and Cu substitution at B and B' sites on the magnetic and transport properties of LaSrCoRuO$_6$ have been investigated. All the doped compositions crystallize in the monoclinic structure in the space group $P2_1/n$…
The discovery of novel structural and physical properties in the $A$-site ordered manganite $R$BaMn$_{2}$O$_{6}$ ($R$ = Y and rare earth elements) has demanded new comprehension about perovskite manganese oxides. In the present study, the…