Local structure of relaxor ferroelectric SrxBa1-xNb2O6 from a pair distribution function analysis

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F19%3A00519366" target="_blank" >RIV/68378271:_____/19:00519366 - isvavai.cz</a>

Výsledek na webu

<a href="https://doi.org/10.1103/physrevb.99.104102" target="_blank" >https://doi.org/10.1103/physrevb.99.104102</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1103/PhysRevB.99.104102" target="_blank" >10.1103/PhysRevB.99.104102</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Local structure of relaxor ferroelectric SrxBa1-xNb2O6 from a pair distribution function analysis

Popis výsledku v původním jazyce

Pair distribution function analysis of neutron-scattering data and of ab initio molecular dynamics results have been employed to study short-range order and its temperature dependence in a disordered dielectric material SrxBa1−xNb2O6(x=0.35,0.5, and 0.61). Intrinsic disorder of Sr and Ba atoms and their vacancies introduces local strains to the structure and influences the Nb-O6 octahedra tilting. The resulting complex system of tilts is found to be both temperature and Sr-doping sensitive with the biggest tilt magnitudes reached at low temperatures and high strontium contents, where ferroelectric relaxor behavior appears. We find evidence for two Nb-O6 subsystems with different variations of niobium-oxygen bond lengths, distinct dynamics, and disparate levels of deviation from macroscopic polarization direction. These findings establish a detailed picture of the local structure of SrxBa1−xNb2O6 and provide a deeper insight into the origins of the materials dielectric properties.

Název v anglickém jazyce

Local structure of relaxor ferroelectric SrxBa1-xNb2O6 from a pair distribution function analysis

Popis výsledku anglicky

Pair distribution function analysis of neutron-scattering data and of ab initio molecular dynamics results have been employed to study short-range order and its temperature dependence in a disordered dielectric material SrxBa1−xNb2O6(x=0.35,0.5, and 0.61). Intrinsic disorder of Sr and Ba atoms and their vacancies introduces local strains to the structure and influences the Nb-O6 octahedra tilting. The resulting complex system of tilts is found to be both temperature and Sr-doping sensitive with the biggest tilt magnitudes reached at low temperatures and high strontium contents, where ferroelectric relaxor behavior appears. We find evidence for two Nb-O6 subsystems with different variations of niobium-oxygen bond lengths, distinct dynamics, and disparate levels of deviation from macroscopic polarization direction. These findings establish a detailed picture of the local structure of SrxBa1−xNb2O6 and provide a deeper insight into the origins of the materials dielectric properties.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Projekt

<a href="/cs/project/GA16-09142S" target="_blank" >GA16-09142S: Dynamika krystalové mříže a dielektrická odezva v tetragonálních oxidech se strukturou wolframového bronzu</a><br>

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2019

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Physical Review B

ISSN

2469-9950

e-ISSN

—

Svazek periodika

99

Číslo periodika v rámci svazku

10

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

12

Strana od-do

1-12

Kód UT WoS článku

000460720300001

EID výsledku v databázi Scopus

2-s2.0-85062712309