First-principles calculation of the effects of Li-doping on the structure and piezoelectricity of (K0.5Na0.5)NbO3 lead-free ceramics

The crystal structures of the lead-free piezoelectric ceramics (K0.5Na0.5)NbO3 and (K0.5Na0.5)0.94Li0.06NbO3 prepared by a solid-state method were investigated using first-principles calculations.

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First-principles calculation of 11B solid-state NMR parameters of boron-rich compounds I: the rhombohedral boron modifications and B12X2 (X = P, As, O)

Physical Chemistry Chemical Physics ◽

10.1039/d0cp04061d ◽

2021 ◽

Vol 23 (1) ◽

pp. 470-486

Author(s):

Martin Ludwig ◽

Harald Hillebrecht

Keyword(s):

Solid State ◽

First Principles ◽

Solid State Nmr ◽

Magic Angle Spinning ◽

First Principles Calculation ◽

Magic Angle ◽

First Principles Calculations ◽

Nuclear Magnetic Resonance Spectra ◽

Angle Spinning ◽

Rhombohedral Boron

This study reports on solid-state nuclear magnetic resonance spectra under magic angle spinning conditions of the rhombohedral structures α-B and B12P2 together with parameter sets from first principles calculations on α-B and B12X2 (X = P, As, O).

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A Comparison of Crystal Structures and Electrode Performance between Na2FePO4F and Na2Fe0.5Mn0.5PO4F Synthesized by Solid-State Method for Rechargeable Na-Ion Batteries

Electrochemistry ◽

10.5796/electrochemistry.80.80 ◽

2012 ◽

Vol 80 (2) ◽

pp. 80-84 ◽

Cited By ~ 53

Author(s):

Yoshiteru KAWABE ◽

Naoaki YABUUCHI ◽

Masataka KAJIYAMA ◽

Norihito FUKUHARA ◽

Tokuo INAMASU ◽

...

Keyword(s):

Solid State ◽

Crystal Structures ◽

Solid State Method ◽

Electrode Performance ◽

State Method

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Preparation of BiFe1-xCoxO3 Ceramics via a Simple Solid Method and Enhanced Multiferroic Properties

Advanced Materials Research ◽

10.4028/www.scientific.net/amr.631-632.452 ◽

2013 ◽

Vol 631-632 ◽

pp. 452-457 ◽

Cited By ~ 1

Author(s):

Gong Lan Ye ◽

Jian Mei Xu ◽

José Antonio Alonso ◽

Zheng Xi Wang

Keyword(s):

Solid State ◽

Crystal Structures ◽

Magnetic Moment ◽

Electric Properties ◽

Second Phase ◽

Solid State Method ◽

Multiferroic Properties ◽

Group A ◽

State Method ◽

Magnetic And Electric Properties

BiFe1-xCoxO3(x= 0-0.3) polycrystalline samples were prepared in order to study the effect of Co substitution on BiFeO3structural, magnetic and electric properties, which to the best of our knowledge, the related work has not been reported. The samples were synthesized by a simple solid-state method, which the process contains mortar grind, calcinate, press and sinter. The crystal structures were refined from XRD data in the acentric R3c space group; a second phase CoFe2O4was identified, in increasing amounts with the increase of x. The magnetic moment is greatly improved and the magnetization for BiFe0.96Co0.04O3was found to be 0.756 emu/g.

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The Impacts of Different Charge Compensators on the Luminescence Properties of BaMg2 (PO4)2: Eu 3+

Advanced Materials Research ◽

10.4028/www.scientific.net/amr.645.34 ◽

2013 ◽

Vol 645 ◽

pp. 34-38

Author(s):

Fu Yang ◽

Xu Dong Meng ◽

Dong Zhan Zhou ◽

Zhi Ping Yang

Keyword(s):

High Temperature ◽

Solid State ◽

Crystal Structures ◽

Luminescence Properties ◽

Solid State Method ◽

State Method

The BaMg1.99-x(PO4)2:0.01Eu3+,xN+(N=Li, Na, K) phosphors were synthesized by high temperature solid state method. Valence stability of Eu3+was analyzed and the effects of the charge compensators (Li+, Na+ and K+ ions) upon the crystal structures and luminescence properties of BaMg1.99(PO4)2:0.01Eu3+were studied in this paper.

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Particle size dependent structural, magnetic and electrical properties of Cr-doped lead-free multiferroic AlFeO3 prepared by co-precipitation and solid state method

Materials Chemistry and Physics ◽

10.1016/j.matchemphys.2020.123631 ◽

2020 ◽

Vol 255 ◽

pp. 123631

Author(s):

Lamia Ben Farhat ◽

Samia Ben Ahmed ◽

Safa Ezzine ◽

Mongi Amami

Keyword(s):

Particle Size ◽

Solid State ◽

Electrical Properties ◽

Lead Free ◽

Solid State Method ◽

Size Dependent ◽

State Method ◽

Co Precipitation ◽

Magnetic And Electrical Properties

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Ba2Ln1−xMn2Te5 (Ln = Pr, Gd, and Yb; x = Ln vacancy): syntheses, crystal structures, optical, resistivity, and electronic structure

Dalton Transactions ◽

10.1039/d1dt00057h ◽

2021 ◽

Author(s):

Gopabandhu Panigrahi ◽

Subhendu Jana ◽

Mohd Ishtiyak ◽

S. Narayanswamy ◽

Pinaki P. Bhattacharjee ◽

...

Keyword(s):

Electronic Structure ◽

Solid State ◽

Crystal Structures ◽

Solid State Method ◽

State Method

Three new cation deficient quaternary tellurides, Ba2Ln1−xMn2Te5 (x = Ln vacancy), were discovered by the exploratory solid-state method.

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Dielectric Spectroscopy of the (K0.44Na0.52Li0.04)0.97La0.01Nb0.9Ta0.1O3 Ceramic Obtained by Sol-Gel

10.21203/rs.3.rs-55576/v1 ◽

2020 ◽

Author(s):

R. López-Noda ◽

J. Portelles ◽

G. Rojas-George ◽

A. Reyes-Rojas ◽

J. Fuentes ◽

...

Keyword(s):

Room Temperature ◽

Ferroelectric Phase ◽

Sol Gel ◽

Rietveld Analysis ◽

Lead Free ◽

Solid State Method ◽

Conduction Mechanisms ◽

Lead Free Ceramics ◽

State Method ◽

Template Grain Growth

Abstract (K0.44Na0.52Li0.04)0.97La0.01Nb0.9Ta0.1O3 lead free ceramics were synthesized by sol-gel method. Their morphology, crystal structure and spectroscopic dielectric properties were analyzed by the appropriate techniques. The co-existence of an orthorhombic and a tetragonal ferroelectric phase at room temperature is confirmed by Rietveld analysis. La and Li cations are effective in shifting down the ferroelectric transition temperatures. The tetragonal to cubic transition, (TT-C), takes place at 371 °C while the orthorhombic to tetragonal, (TO-T), occurs at 110 °C, and the maximum relative permittivity (ɛmax) at TT-C is 3000, which is among the highest for KNN-based ceramics obtained by different methods. Conductivity behaves according to Jonscher’s law in the frequency and temperature range of this study. The activation energy values corresponding to the different conduction mechanisms were obtained. The results were compared with those for the same composition obtained by combining the reactive template grain growth (RTGG) technique and the solid-state method.

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