Overlap and rotate - a simple method for predicting out-of-plane and in-plane orientations of heteroepitaxial thin films

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989100%3A27360%2F24%3A10254399" target="_blank" >RIV/61989100:27360/24:10254399 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/61989100:27640/24:10254399

Výsledek na webu

<a href="https://www.sciencedirect.com/science/article/pii/S2468023024002888" target="_blank" >https://www.sciencedirect.com/science/article/pii/S2468023024002888</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.surfin.2024.104129" target="_blank" >10.1016/j.surfin.2024.104129</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Overlap and rotate - a simple method for predicting out-of-plane and in-plane orientations of heteroepitaxial thin films

Popis výsledku v původním jazyce

The production of heteroepitaxial thin films is increasingly important due to their considerable utility in technical practice. This usability is determined by their specific physical and chemical properties influenced by the mutual crystallographic substrate-film orientation, both the out-of-plane and the in-plane. The possibility of predicting these orientations would reduce the time and financial burden of their experimental determination. This study shows how the out-of-plane and the in-plane orientation of heteroepitaxial film can be predicted by simply calculating number of overlapping atoms in a system of two overlapping crystallographic planes, one of which rotates relatively to the other. Coordinates of atoms in the crystallographic planes are taken from bulk structures, which contributes to the simplicity of the method. The average number of overlapping atoms (calculated from a 360o rotation) and the maximum number of overlapping atoms (including a corresponding angle) indicate the out-of-plane and the in-plane orientation, respectively. The method is tested on various substrate/film systems (SrTiO3/ZnO, Al2MgO4/ZnO, MgO/ZnO, MgO/CuO, Si/Al, MoS2/Au) and the results are compared with experimental data obtained from the literature. The good agreement with the experimental data shows this method to be reliable and sufficiently accurate for heteroepitaxial thin films.

Název v anglickém jazyce

Overlap and rotate - a simple method for predicting out-of-plane and in-plane orientations of heteroepitaxial thin films

Popis výsledku anglicky

The production of heteroepitaxial thin films is increasingly important due to their considerable utility in technical practice. This usability is determined by their specific physical and chemical properties influenced by the mutual crystallographic substrate-film orientation, both the out-of-plane and the in-plane. The possibility of predicting these orientations would reduce the time and financial burden of their experimental determination. This study shows how the out-of-plane and the in-plane orientation of heteroepitaxial film can be predicted by simply calculating number of overlapping atoms in a system of two overlapping crystallographic planes, one of which rotates relatively to the other. Coordinates of atoms in the crystallographic planes are taken from bulk structures, which contributes to the simplicity of the method. The average number of overlapping atoms (calculated from a 360o rotation) and the maximum number of overlapping atoms (including a corresponding angle) indicate the out-of-plane and the in-plane orientation, respectively. The method is tested on various substrate/film systems (SrTiO3/ZnO, Al2MgO4/ZnO, MgO/ZnO, MgO/CuO, Si/Al, MoS2/Au) and the results are compared with experimental data obtained from the literature. The good agreement with the experimental data shows this method to be reliable and sufficiently accurate for heteroepitaxial thin films.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

20506 - Coating and films

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2024

Kód důvěrnosti údajů

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

Název periodika

Surfaces and Interfaces

ISSN

2468-0230

e-ISSN

2468-0230

Svazek periodika

46

Číslo periodika v rámci svazku

březen 2024

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

13

Strana od-do

1-13

Kód UT WoS článku

001224490300001

EID výsledku v databázi Scopus

2-s2.0-85187332192