Structural and optical properties of CaTiO3 perovskite-based materials obtained by microwave-assisted hydrothermal synthesis: An experimental and theoretical …
CaTiO3 powders were synthesized using both a polymeric precursor method (CTref) and a
microwave-assisted hydrothermal (CTHTMW) method in order to compare the chemical and …
microwave-assisted hydrothermal (CTHTMW) method in order to compare the chemical and …
Improved first-principles electronic band structure for cubic (Pm 3¯ m) and tetragonal (P4mm, P4/mmm) phases of BaTiO3 using the Hubbard U correction
The influence of Hubbard U potential on crystal structure and electronic properties of the
cubic (Pm 3¯ m) and the two tetragonal (P4mm, P4/mmm) phases of BaTiO 3 (BTO) …
cubic (Pm 3¯ m) and the two tetragonal (P4mm, P4/mmm) phases of BaTiO 3 (BTO) …
Influence of Na and Na/Fe doping on the dielectric constant, ferromagnetic and sunlight photocatalytic properties of BaTiO3 perovskite
SM Yakout - Journal of Solid State Chemistry, 2020 - Elsevier
Abstract Perovskite BaTiO 3, Ba 0.98 Na 0.02 TiO 3, Ba 0.98 Na 0.02 Ti 0.97 Fe 0.03 O 3
and Ba 0.98 Na 0.02 Ti 0.95 Fe 0.05 O 3 ceramics have been prepared by solid state …
and Ba 0.98 Na 0.02 Ti 0.95 Fe 0.05 O 3 ceramics have been prepared by solid state …
[HTML][HTML] Machine learning substitutional defect formation energies in ABO3 perovskites
Perovskite oxides are a promising material platform for use in a wide range of technological
applications including electronics, sensors, fuel cells, and catalysis. This is owing to the …
applications including electronics, sensors, fuel cells, and catalysis. This is owing to the …
Experimental and theoretical correlation of very intense visible green photoluminescence in BaZrO3 powders
LS Cavalcante, VM Longo, M Zampieri… - Journal of Applied …, 2008 - pubs.aip.org
Very intense visible green photoluminescence (PL) was observed at room temperature in
structurally ordered-disordered Ba Zr O 3 powders. Ab initio calculations, ultraviolet-visible …
structurally ordered-disordered Ba Zr O 3 powders. Ab initio calculations, ultraviolet-visible …
Enhanced Photoelectrochemical Response of BaTiO3 with Fe Doping: Experiments and First-Principles Analysis
S Upadhyay, J Shrivastava, A Solanki… - The Journal of …, 2011 - ACS Publications
We use a combination of experiments and first-principles density functional theory based
calculations in a study of the photoelectrochemical properties of Fe-doped BaTiO3 …
calculations in a study of the photoelectrochemical properties of Fe-doped BaTiO3 …
Multiferroic approach for Cr, Mn, Fe, Co, Ni, Cu substituted BaTiO3 nanoparticles
KC Verma, RK Kotnala - Materials Research Express, 2016 - iopscience.iop.org
Multiferroic magnetoelectric (ME) at room temperature is significant for new design nano-
scale spintronic devices. We have given a comparative study to report multiferroicity in BaTM …
scale spintronic devices. We have given a comparative study to report multiferroicity in BaTM …
Photoluminescence of barium titanate and barium zirconate in multilayer disordered thin films at room temperature
ML Moreira, MFC Gurgel, GP Mambrini… - The Journal of …, 2008 - ACS Publications
The emission of wide band photoluminescence showed a synergic effect on barium
zirconate and barium titanate thin films in alternate multilayer system at room temperature by …
zirconate and barium titanate thin films in alternate multilayer system at room temperature by …
Effect of magnesium doping on band gap and optical properties of SrZrO3 perovskite: a first-principles study
In this paper we present the First-principles calculations, established on the density
functional theory (DFT) by using generalized gradient approximation (GGA) and ultra-soft …
functional theory (DFT) by using generalized gradient approximation (GGA) and ultra-soft …
A theoretical investigation of the structural and electronic properties of orthorhombic CaZrO3
A CaZrO 3 (CZO) powder was prepared by the soft chemical, polymeric precursor method
(PPM). The CZO crystalline structure was investigated by powder X-ray diffraction (XDR) …
(PPM). The CZO crystalline structure was investigated by powder X-ray diffraction (XDR) …