Structure and Charge Compensation of Heteropolar SiC/GaN Interfaces

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

Abstracts

EN

We present studies of the morphology and charge distribution at the 4H-SiC/wz-GaN heteropolar junctions. Our investigations are based on the first principles calculations in the framework of the density functional theory where the interfaces between the SiC substrate and GaN layers are represented by means of a slab. These studies reveal possible charge compensation patterns at the interfaces that lead to charge redistribution from monopole to dipole character and increase the stability of the junctions. It turns out that the interfaces with C-Ga and Si-Ga bonds across the junction and reconstructions involving substitution of group IV elements into Ga layer are the most favorable energetically.

Keywords

EN

68.35.-p; 68.35.Ct; 68.47.Fg; 68.65.-k

Discipline

• 68.35.Ct: Interface structure and roughness
• 68.47.Fg: Semiconductor surfaces
• 68.65.-k: Low-dimensional, mesoscopic, nanoscale and other related systems: structure and nonelectronic properties(for structure of nanoscale materials, see 61.46.-w; for magnetic properties of interfaces, see 75.70.Cn; for superconducting properties, see 74.78.-w; for optical properties, see 78.67.-n; for transport properties, see 73.63.-b; for thermal properties of nanocrystals and nanotubes, see 65.80.-g; for mechanical properties of nanoscale systems, see 62.25.-g)
• 68.35.-p: Solid surfaces and solid-solid interfaces: structure and energetics

• Journal: Acta Physica Polonica A
• Year: 2013
• Volume: 124
• Issue: 5
• Pages: 772-774

Dates

published

2013-11

Contributors

author

M. Sznajder

• Institute of Physics, University of Rzeszów, T. Rejtana 16a, 35-310 Rzeszów, Poland

author

J. Majewski

• Institute of Theoretical Physics, Faculty of Physics, University of Warsaw, Hoża 69, 00-681 Warszawa, Poland

References

• [1] N.Z. Yahaya, M.B.K. Raethar, M. Awan, J. Power Electron. 9, 36 (2009)
• [2] T. Sasaki, T. Matsuoka, J. Appl. Phys. 64, 4531 (1988)
• [3] A. Rizzi, R. Lantier, H. Luth, Phys. Status Solidi A 177, 165 (2000)
• [4] F. Bernardini, V. Fiorentini, D. Vanderbilt, Phys. Rev. B 56, 10024 (1997)
• [5] S.B. Capaz, H. Lim, J.D. Joannopoulos, Phys. Rev. B 51, 17755 (1995)
• [6] S.Y. Ren, J. Electron. Mater. 26, 341 (1997)
• [7] M. Städele, J.A. Majewski, P. Vogl, Phys. Rev. B 56, 6911 (1997)
• [8] J. Soler, E. Artacho, J.D. Gale, A. Garcia, J. Junquera, P. Ordejón, D. Sanchez-Portal, J. Phys., Condens. Matter 14, 2745 (2002)
• [9] J.P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996)
• [10] N. Troullier, J.L. Martins, Phys. Rev. B 43, 1993 (1991)
• [11] A. Bauer, J. Kräußlich, L. Dressler, P. Kuschnerus, J. Wolf, K. Goetz, P. Käckell, J. Furthmüller, F. Bechstedt, Phys. Rev. B 57, 2647 (1998)

Identifiers

DOI

10.12693/APhysPolA.124.772