Theoretical Investigation of Electronic and Structural Properties of AlN Thin Films
https://doi.org/10.17073/1609-3577-2015-1-48-51
Abstract
Study of the electronic and structural properties of AlN thin films is an important problem because these films are widely used as buffer layers for GaN−based semiconductor heterostructures growth on Si substrates. In this paper we performed a theoretical investigation of the properties of Al−terminated AlN(0001) surface in the framework of density functional theory. Ab initio calculations allowed us to study the impact of in−plane lattice strain on the surface energy of this surface. We show that the presence of the compressive strain leads to a decrease of the AlN(0001) surface energy while tensile strain increases the surface energy of this surface. Surface energy values allowed us to calculate the stress value of the surface under investigation. Also we calculated the curvature of the AlN surface as a function of film thickness for free growth. The resultant curvature values are in a good agreement with known experimental results.
About the Authors
K. K. Abgaryan
Institution of Russian Academy of Sciences Dorodnicyn Computing Centre of RAS, 40 Vavilov Str., Moscow 119333, Russia
Russian Federation
Russian Federation
Сand. Sci. (Phys.− Math.), Head of the Section
D. I. Bazhanov
Lomonosov Moscow State University, 1 Leninskiye Gory, Moscow 119991, Russia
Russian Federation
Russian Federation
Сand. Sci. (Phys.− Math.)
I. V. Mutigullin
Institution of Russian Academy of Sciences Dorodnicyn Computing Centre of RAS, 40 Vavilov Str., Moscow 119333, Russia
Russian Federation
Russian Federation
Сand. Sci. (Phys.− Math.), Senior Researcher
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Review
For citations:
Abgaryan K.K., Bazhanov D.I., Mutigullin I.V. Theoretical Investigation of Electronic and Structural Properties of AlN Thin Films. Izvestiya Vysshikh Uchebnykh Zavedenii. Materialy Elektronnoi Tekhniki = Materials of Electronics Engineering. 2015;18(1):48-51. (In Russ.) https://doi.org/10.17073/1609-3577-2015-1-48-51
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