Local structure of molybdates solid solutions containing europium by results of atomistic simulation

2020 ◽  
Vol 23 ◽  
pp. 101180 ◽  
Author(s):  
V.B. Dudnikova ◽  
E.V. Zharikov ◽  
N.N. Eremin
Keyword(s):  
Solid Solutions ◽  
Local Structure ◽  
Atomistic Simulation

Local structure and piezoelectric instability in lead-free (1 − x)BaTiO3-xA(Cu1/3Nb2/3)O3(A = Sr, Ca, Ba) solid solutions

RSC Advances ◽  
2014 ◽  
Vol 4 (3) ◽  
pp. 1283-1292 ◽  
Author(s):  
Deepam Maurya ◽  
Ashok Kumar ◽  
Valeri Petkov ◽  
James E. Mahaney ◽  
Ram S. Katiyar ◽  
...  
Keyword(s):  
Solid Solutions ◽  
Local Structure ◽  
Lead Free

Effect of alkali-earth ions on the local structure of LaAlO3-La0.67 A 0.33MnO3 (A = Ca, Sr, Ba) diluted solid solutions: 27Al NMR studies

2007 ◽  
Vol 49 (3) ◽  
pp. 449-453 ◽  
Author(s):  
E. V. Charnaya ◽  
Cheng Tien ◽  
N. V. Chejina ◽  
M. K. Lee ◽  
S. Y. Sun
Keyword(s):  
Solid Solutions ◽  
Local Structure ◽  
27Al Nmr ◽  
Nmr Studies ◽  
Alkali Earth

scholarly journals Моделирование твердых растворов NaGd(MoO-=SUB=-4-=/SUB=-)-=SUB=-2-=/SUB=-- NaEu(MoO-=SUB=-4-=/SUB=-)-=SUB=-2-=/SUB=- и Na-=SUB=-2-=/SUB=-Gd-=SUB=-4-=/SUB=-(MoO-=SUB=-4-=/SUB=-)-=SUB=-7-=/SUB=--Na-=SUB=-2-=/SUB=-Eu-=SUB=-4-=/SUB=-(MoO-=SUB=-4-=/SUB=-)-=SUB=-7-=/SUB=- методом межатомных потенциалов

2019 ◽  
Vol 61 (4) ◽  
pp. 678
Author(s):  
В.Б. Дудникова ◽  
Е.В. Жариков ◽  
Н.Н. Еремин
Keyword(s):  
Solid Solutions ◽  
Atomistic Simulation ◽  
Statistical Distribution ◽  
Partial Ordering ◽  
Interatomic Potentials ◽  
Vibrational Entropy ◽  
Solid State Lasers ◽  
General Utility ◽  
Gadolinium Molybdate

AbstractSimulation of the solid solutions in the system of double sodium–gadolinium and sodium–europium molybdates, which are promising matrices for solid state lasers and phosphors has been carried out by the method of interatomic potentials. Two types of solid solutions have been studied, one of which contains finite components corresponding to the stoichiometric NaGd(MoO_4)_2–NaEu(MoO_4)_2 compositions with statistical distribution of cations in the crystal lattice. Another object is a cation-deficient Na_2Gd_4(MoO_4)_7–Na_2Eu_4(MoO_4)_7 system, in which we have examined the variants of statistical distribution and partial ordering of cations over structural positions. Atomistic simulation has been performed using the GULP 4.0.1 software package (General Utility Lattice Program). It is shown that when we pass from sodium-gadolinium molybdate to sodium-europium molybdate, both of stoichiometric and cation-deficient compositions, an increase in the unit cell volume is observed, while the density of the crystal, the energy of interatomic interactions in the structure, the vibrational entropy and the heat capacity decrease along with increasing europium content. The energy of interatomic interactions in the structure for cation-deficient solid solutions is less than for stoichiometric ones. Other aforementioned characteristics for cation-deficient solid solutions have greater values than for stoichiometric ones. The role of cluster europium centers in concentration quenching in NaGd(MoO_4)_2–NaEu(MoO_4)_2 solid solutions has been examined.

Simulation of the local structure and properties of the CaO-SrO and SrO-BaO solid solutions

2003 ◽  
Vol 48 (9) ◽  
pp. 469-473
Author(s):  
V. S. Urusov ◽  
T. G. Petrova ◽  
N. N. Eremin
Keyword(s):  
Solid Solutions ◽  
Local Structure ◽  
Structure And Properties

Local Structure of Actinide Dioxide Solid Solutions Th1-xUxO2 and Th1-xPuxO2

ChemInform ◽  
2006 ◽  
Vol 37 (31) ◽  
Author(s):  
S. Hubert ◽  
J. Purans ◽  
G. Heisbourg ◽  
P. Moisy ◽  
N. Dacheux
Keyword(s):  
Solid Solutions ◽  
Local Structure

Features of the local structure of hydrated fluorine-substituted solid solutions based on Ba2In2O5

2014 ◽  
Vol 78 (8) ◽  
pp. 730-732 ◽  
Author(s):  
N. A. Tarasova ◽  
N. A. Zhuravlev ◽  
I. E. Animitsa ◽  
T. A. Denisova ◽  
Ya. V. Baklanova ◽  
...  
Keyword(s):  
Solid Solutions ◽  
Local Structure
Sign in / Sign up

Export Citation Format

Share Document