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The local environment and oxidation state of Mn impurity in strontium titanate doped with 3% Mn were studied by X-ray absorption fine structure spectroscopy. The influence of the preparation conditions on the incorporation of the impurity…

材料科学 · 物理学 2015-07-28 I. A. Sluchinskaya , A. I. Lebedev , A. Erko

We have performed x-ray absorption spectroscopy (XAS) and x-ray photoemission spectroscopy (XPS) studies of single crystal Ba_{1-x}K_{x}BiO_{3} (BKBO) covering the whole composition range $0 \leq x \leq 0.60$. Several features in the oxygen…

We present neutron diffraction analysis of BaFe$_2$(As$_{1-x}$P$_x$)$_2$ over a wide temperature (10 to 300 K) and compositional ($0.11 \leq x \leq 0.79$) range, including the normal state, the magnetically ordered state, and the…

NdFeO3 modified polycrystalline ceramics with composition (NdFeO3)0.1-(Ba0.7Sr0.3TiO3)0.9 (NFBST) ceramics have been synthesized via solid-state reaction route. The Rietveld refinement of the XRD data confirmed the existence of a tetragonal…

材料科学 · 物理学 2019-06-26 Anumeet Kaur , Lakhwant Singh

The structural, dielectric and ferroelectric properties of lead-free (Na0.5-xKxBi0.5-xLax)TiO3 powders synthesized by sol-gel self-combustion method were investigated. Rietveld refinement of Synchrotron x-ray diffraction data confirms pure…

Sodium bismuth titanate (NBT) is a promising oxide-ion conductor,but its electrical conductivity is highly sensitive to small changes in A-site stoichiometry and processing history.This sensitivity can reduce sample-to-sample…

材料科学 · 物理学 2026-05-26 Zhouyang He , Xiaoou Sun , Xinyue Wang , Duanting Yan

A theoretically supported experimental study of the (1-x)LaFeO3.xLaMnO3 (LFO-LMO) solid solution is being reported for the first time which reveals a phase transformation from the Pbnm and R3-c phase at a chemical composition of x=0.625.…

材料科学 · 物理学 2020-12-29 E. G. Rini , Mayanak. K. Gupta , R. Mittal , A. Mekki , Mohammed H. Al Saeed , Somaditya Sen

The present work deals with the study of structural, ferroelectric, dielectric and electro-caloric effects in lead free ferroelectric polycrystalline Ba1-xCaxTi0.95Sn0.05O3 (x= 2, 5 and 10 %) i.e., Ca, Sn co-doped BaTiO3 (BTO). Phase purity…

强关联电子 · 物理学 2017-04-20 Sanjay Kumar Upadhyay , Iram Fatima , V. Raghavendra Reddy

Barium titanate (BaTiO$_3$) is a prototypical ferroelectric perovskite that undergoes the rhombohedral-orthorhombic-tetragonal-cubic phase transitions as the temperature increases. In this work, we develop a classical interatomic potential…

材料科学 · 物理学 2016-11-23 Yubo Qi , Shi Liu , Ilya Grinberg , Andrew M. Rappe

Terbium doped silicon oxynitride host matrix is suitable for various applications such as light emitters compatible with CMOS technology or frequency converter systems for photovoltaic cells. In this study, amorphous Tb3+ ion doped…

Micrometric domains of precise ferroelectric polarization have been written into a 20 nm thick epitaxial thin film of BaTiO3(001) (BTO) on a Nb doped SrTiO3 (STO) substrate using PiezoForce Microscopy (PFM). The domain dependent electronic…

材料科学 · 物理学 2018-06-06 N. Barrett , J. Rault , I. Krug , B. Vilquin , G. Niu , B. Gautier , D. Albertini , O. Renault

Advanced theoretical investigations are crucial for understanding the structural growth mechanisms, optoelectronic properties, and photocatalytic activity of photoelectrodes for efficient photoelectrochemical water splitting. In this work,…

材料科学 · 物理学 2025-03-24 Abdul Ahad Mamun , Muhammad Anisuzzaman Talukder

Using first-principles calculations based on a variational density functional perturbation theory, we investigate the lattice dynamics of solid solutions of barium and strontium titanates. Averaging the information available for the related…

材料科学 · 物理学 2009-10-31 Ph. Ghosez , D. Desquesnes , X. Gonze , K. M. Rabe

We present a combined X-ray and neutron diffraction, Raman spectroscopy, and 121Sb NMR studies of AgSbTe2, supported by first-principles calculations aiming to elucidate its crystal structure. While diffraction methods cannot unambiguously…

We investigated with synchrotron x-ray diffraction and reflectometry the formation of structural domains in the near-surface region of single crystalline SrTiO3 (001) substrates with Y0.6Pr0.4Ba2Cu3O7 / La2/3Ca1/3MnO3 superlattices grown on…

The effect of Pr-doping on structural, magnetic and transport properties in electron-doped manganites La0.9-xPrxTe0.1MnO3 with fixed carrier concentration are investigated. The room temperature structural transition from rhombohedral (R3C)…

强关联电子 · 物理学 2009-11-10 J. Yang , W. H. Song , Y. Q. Ma , R. L. Zhang , B. C. Zhao , Z. G. Sheng , G. H. Zheng , J. M. Dai , Y. P. Sun

Hydrogen incorporation in diluted nitride semiconductors dramatically modifies the electronic and structural properties of the crystal through the creation of nitrogen-hydrogen complexes. We report a convergent beam electron-diffraction…

Monoclinic crystal structure of the undoped BaBiO3 can be described as a cubic perovskite distorted by a frozen breathing and tilting phonon modes of BiO6 octahedra. The phonon mode softening is experimentally observed [M. Braden et al.,…

强关联电子 · 物理学 2013-08-19 Dm. M. Korotin , D. Novoselov , V. I. Anisimov

An archetypical layered topological insulator Bi$_2$Se$_3$ becomes superconductive upon doping with Sr, Nb or Cu. Superconducting properties of these materials in the presence of in-plane magnetic field demonstrate spontaneous symmetry…

Structural and optoelectronic properties of {\alpha}, \{beta}, {\gamma} phases of calcium titanate are studied with the implementation of first-principles quantum-chemical calculations in the framework of DFT. When optimizing the geometry,…

材料科学 · 物理学 2022-11-01 D. D. Nematov , A. S. Burhonzoda , F. Shokir