Theoretical modelling of infrared spectra of the twinned lead zirconate

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68407700%3A21340%2F17%3A00305274" target="_blank" >RIV/68407700:21340/17:00305274 - isvavai.cz</a>

Výsledek na webu

<a href="https://doi.org/10.1080/01411594.2016.1202409" target="_blank" >https://doi.org/10.1080/01411594.2016.1202409</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1080/01411594.2016.1202409" target="_blank" >10.1080/01411594.2016.1202409</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Theoretical modelling of infrared spectra of the twinned lead zirconate

Popis výsledku v původním jazyce

The THz-frequency range dispersion of the complex dielectric permittivity tensor of antiferroelectric lead zirconate, associated with its multiple weak infrared active phonon modes, is modelled by the oscillator formula with parameters fully determined from the recently developed atomistic shell model. The resulting realistic dielectric function is used to estimate the far-infrared reflectivity spectra of a twinned lead zirconate crystal in the limit of narrow and wide domains. It is shown that in case of the sufficiently narrow domain widths, the effective-medium average permittivity shows additional modes identified as geometric resonances (i.e. extraneous excitations created by material interfaces), possibly distinguishable in suitable experiments.

Název v anglickém jazyce

Theoretical modelling of infrared spectra of the twinned lead zirconate

Popis výsledku anglicky

The THz-frequency range dispersion of the complex dielectric permittivity tensor of antiferroelectric lead zirconate, associated with its multiple weak infrared active phonon modes, is modelled by the oscillator formula with parameters fully determined from the recently developed atomistic shell model. The resulting realistic dielectric function is used to estimate the far-infrared reflectivity spectra of a twinned lead zirconate crystal in the limit of narrow and wide domains. It is shown that in case of the sufficiently narrow domain widths, the effective-medium average permittivity shows additional modes identified as geometric resonances (i.e. extraneous excitations created by material interfaces), possibly distinguishable in suitable experiments.

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

—

Návaznosti

S - Specificky vyzkum na vysokych skolach

Rok uplatnění

2017

Kód důvěrnosti údajů

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

Název periodika

Phase Transitions

ISSN

0141-1594

e-ISSN

1029-0338

Svazek periodika

90

Číslo periodika v rámci svazku

1

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

7

Strana od-do

17-23

Kód UT WoS článku

000394604300003

EID výsledku v databázi Scopus

2-s2.0-84978954607