Theoretical investigation of the electronic and structural properties of AlN thin films

Theoretical investigation of the electronic and structural properties of AlN thin films Studying the electronic and structural properties of AlN thin films is an important problem because such films are widely used as a buffer layer when growing GaN-based semiconductor heterostructures on Si substrates. In this paper, we carry out a theoretical investigation of the properties of an Al-terminated AlN(0001) surface in the framework of the density functional theory. Ab initio calculations allow us to analyze the effect of the in-plane lattice strain on the energy of this surface. It is shown that compressive strain causes a decrease in the AlN(0001) surface energy, while tensile strain leads to its increase. Knowing the surface energy values allows us to evaluate the stress of the surface under investigation. In addition, the curvature of the AlN surface is calculated for various AlN film thicknesses in the case of free growth. The obtained values of the surface curvature are in close agreement with the known experimental results. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Russian Microelectronics Springer Journals

Theoretical investigation of the electronic and structural properties of AlN thin films

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Publisher
Pleiades Publishing
Copyright
Copyright © 2016 by Pleiades Publishing, Ltd.
Subject
Engineering; Electrical Engineering
ISSN
1063-7397
eISSN
1608-3415
D.O.I.
10.1134/S1063739716080011
Publisher site
See Article on Publisher Site

Abstract

Studying the electronic and structural properties of AlN thin films is an important problem because such films are widely used as a buffer layer when growing GaN-based semiconductor heterostructures on Si substrates. In this paper, we carry out a theoretical investigation of the properties of an Al-terminated AlN(0001) surface in the framework of the density functional theory. Ab initio calculations allow us to analyze the effect of the in-plane lattice strain on the energy of this surface. It is shown that compressive strain causes a decrease in the AlN(0001) surface energy, while tensile strain leads to its increase. Knowing the surface energy values allows us to evaluate the stress of the surface under investigation. In addition, the curvature of the AlN surface is calculated for various AlN film thicknesses in the case of free growth. The obtained values of the surface curvature are in close agreement with the known experimental results.

Journal

Russian MicroelectronicsSpringer Journals

Published: Mar 8, 2017

References

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