Detail publikačního výsledku

Interface-induced electronic structure toughening of nitride superlattices

ŘEHÁK, P.; ČERNÝ, M.; HOLEC, D.

Originální název

Interface-induced electronic structure toughening of nitride superlattices

Anglický název

Interface-induced electronic structure toughening of nitride superlattices

Druh

Článek WoS

Originální abstrakt

We report on first-principles study of uniaxial strength for brittle cleavage of AlN/VN, AlN/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.

Anglický abstrakt

We report on first-principles study of uniaxial strength for brittle cleavage of AlN/VN, AlN/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.

Klíčová slova

Nitride multilayers; Cleavage; Friedel oscillations; Ab initio calculations

Klíčová slova v angličtině

Nitride multilayers; Cleavage; Friedel oscillations; Ab initio calculations

Autoři

ŘEHÁK, P.; ČERNÝ, M.; HOLEC, D.

Rok RIV

2018

Vydáno

25.09.2017

Nakladatel

ELSEVIER SCIENCE SA

ISSN

0257-8972

Periodikum

SURFACE & COATINGS TECHNOLOGY

Svazek

325

Číslo

9

Stát

Švýcarská konfederace

Strany od

410

Strany do

416

Strany počet

7

URL

http://www.sciencedirect.com/science/article/pii/S0257897217306795

BibTex

@article{BUT138180,
  author="Petr {Řehák} and Miroslav {Černý} and David {Holec}",
  title="Interface-induced electronic structure toughening of nitride superlattices",
  journal="SURFACE & COATINGS TECHNOLOGY",
  year="2017",
  volume="325",
  number="9",
  pages="410--416",
  doi="10.1016/j.surfcoat.2017.06.065",
  issn="0257-8972",
  url="http://www.sciencedirect.com/science/article/pii/S0257897217306795"
}