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

Result code in 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>

Alternative codes found

RIV/61989100:27640/24:10254399

Result on the web

<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>

Result language

angličtina

Original language name

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

Original language description

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.

Czech name

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Czech description

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Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

—

OECD FORD branch

20506 - Coating and films

Project

—

Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2024

Confidentiality

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

Name of the periodical

Surfaces and Interfaces

ISSN

2468-0230

e-ISSN

2468-0230

Volume of the periodical

46

Issue of the periodical within the volume

březen 2024

Country of publishing house

NL - THE KINGDOM OF THE NETHERLANDS

Number of pages

13

Pages from-to

1-13

UT code for WoS article

001224490300001

EID of the result in the Scopus database

2-s2.0-85187332192