Electronic Structure and Optical Properties of GaAs1-xNx and Ga1-xBxAs Alloys |
| N. Gonzalez Szwackia, P. Bogusławskia, I. Gorczycab, N.E. Christensenc and A. Svanec aInstitute of Physics, Polish Academy of Sciences, al. Lotników 32/46, 02-668 Warsaw, Poland bHigh Pressure Research Center, Polish Academy of Sciences 02-480 Warsaw, Poland cInstitute of Physics and Astronomy, University of Aarhus 8000 Aarhus, Denmark |
| Full Text PDF |
| The electronic band structure of GaAs1-xNx (x=0.016 and 0.031) and Ga1-xBxAs (x=0.031) is studied by ab initio calculations using a supercell approach. Based on ab initio calculations and group theory we present a comprehensive analysis of the electronic structure of GaAs:N and GaAs:B alloys. In particular, we study the effective mass of conduction electrons in GaAs:N as a function of pressure and the Fermi energy. We find that the lowest conduction band is strongly non-parabolic, which leads to an increase in the effective mass with the electron energy. The rate of the increase is enhanced by the hydrostatic pressure. Theoretical results are compared to experimental data, and a qualitative agreement is found. |
| DOI: 10.12693/APhysPolA.102.633 PACS numbers: 71.20.Nr, 78.20.Bh |