Morphology and Stability of the C/BN Interfaces: Ab Initio Studies

• Authors: M. Grabowski , M. Sznajder , J. Majewski
• Languages of publication: EN

Abstracts

EN

We investigate the morphology and charge distribution at the (001)-diamond/BN heteropolar junctions of the cubic materials. Our investigations are based on the first principles calculations in the framework of the density functional theory. These studies reveal that reconstruction of the interface leads to possible charge compensation at the interface and increases also the stability of the junction in comparison to the abrupt interfaces.

Keywords

EN

68.35.-p; 68.35.Ct; 68.65.Cd

Discipline

• 68.35.Ct: Interface structure and roughness
• 68.65.Cd: Superlattices
• 68.35.-p: Solid surfaces and solid-solid interfaces: structure and energetics

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 2016
• Volume: 129
• Issue: 1a
• Pages: A-138-A-141

Dates

published

2016-01

Contributors

author

M. Grabowski

• Faculty of Mathematics and Natural Sciences, University of Rzeszów, S. Pigonia 1, 35-959 Rzeszów, Poland

author

M. Sznajder

• Faculty of Mathematics and Natural Sciences, University of Rzeszów, S. Pigonia 1, 35-959 Rzeszów, Poland

author

J. Majewski

• Institute of Theoretical Physics, Faculty of Physics, University of Warsaw, L. Pasteura 5, 02-093 Warszawa, Poland

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Identifiers

DOI

10.12693/APhysPolA.129.A-138