Electron Scattering on the Short-range Potential of the Point Defects in Sphalerite GaN: Calculation from the First Principles

Author(s) O.P. Malyk , S.V. Syrotyuk

Lviv Polytechnic National University, Semiconductor Electronics Department, 12, S. Bandera Str., 79013 Lviv, Ukraine

Е-mail omalyk@ukr.net
Issue Volume 9, Year 2017, Number 6
Dates Received 20 May 2017; revised manuscript received 15 November 2017; published online 24 November 2017
Citation O.P. Malyk, S.V. Syrotyuk, J. Nano- Electron. Phys. 9 No 6, 06007 (2017)
DOI 10.21272/jnep.9(6).06007
PACS Number(s) 72.20.Dp
Key words Electron transport, Point defects, DFT calculation.
Annotation The electron scattering processes in sphalerite gallium nitride on the different lattice point defects are considered. The short-range principle is taken into account in all the calculations. The transition matrix elements have been evaluated by using the self-consistent wave function and potential obtained within the ab initio density functional theory. This approach avoids the problem of using the fitting parameters for the six electron scattering mechanisms. The temperature dependences of electron mobility in the range 30-300 K are calculated. The results obtained with short-range scattering models reveal a better agreement with experiment than with the long-range scattering ones. For the first time the electron transport properties have been obtained here on base of the short-range scattering models, with derived by projector augmented waves self-consistent eigenfunctions and potentials, calculated from the first principles.