Interface-induced electronic structure toughening of nitride superlattices

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68081723%3A_____%2F17%3A00480218" target="_blank" >RIV/68081723:_____/17:00480218 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/00216305:26620/17:PU124228

Výsledek na webu

<a href="http://dx.doi.org/10.1016/j.surfcoat.2017.06.065" target="_blank" >http://dx.doi.org/10.1016/j.surfcoat.2017.06.065</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.surfcoat.2017.06.065" target="_blank" >10.1016/j.surfcoat.2017.06.065</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Interface-induced electronic structure toughening of nitride superlattices

Popis výsledku v původním jazyce

We report on first-principles study of uniaxial strength for brittle cleavage of AIN/VN, AIN/TiN and VN/TiN systems. In agreement with previous studies we predict that the VN/TiN exhibits interface induced toughening of VN as compared to bulk values, and a similar effect is predicted also to occur in the VN/AlN system. However, a more detailed insight reveals, that the theoretical critical stress for brittle cleavage largely oscillates (even below the critical stress for bulk) with the distance from the interface inside the VN layer, a phenomenon not present (or hugely reduced) in TiN and AlN layers. The oscillating values for critical stress well correlate with the same behavior of interplanar distances and charge density. The origin of these unexpected properties was pinpointed to structural instabilities of cubic VN.

Název v anglickém jazyce

Interface-induced electronic structure toughening of nitride superlattices

Popis výsledku anglicky

We report on first-principles study of uniaxial strength for brittle cleavage of AIN/VN, AIN/TiN and VN/TiN systems. In agreement with previous studies we predict that the VN/TiN exhibits interface induced toughening of VN as compared to bulk values, and a similar effect is predicted also to occur in the VN/AlN system. However, a more detailed insight reveals, that the theoretical critical stress for brittle cleavage largely oscillates (even below the critical stress for bulk) with the distance from the interface inside the VN layer, a phenomenon not present (or hugely reduced) in TiN and AlN layers. The oscillating values for critical stress well correlate with the same behavior of interplanar distances and charge density. The origin of these unexpected properties was pinpointed to structural instabilities of cubic VN.

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

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2017

Kód důvěrnosti údajů

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

Název periodika

Surface and Coatings Technology

ISSN

0257-8972

e-ISSN

—

Svazek periodika

325

Číslo periodika v rámci svazku

SEP

Stát vydavatele periodika

CH - Švýcarská konfederace

Počet stran výsledku

7

Strana od-do

410-416

Kód UT WoS článku

000411296900048

EID výsledku v databázi Scopus

2-s2.0-85021745317