Calculation of the Electron Wave Function and Crystal Potential in a Sphalerite Semiconductor at a Given Temperature

Authors O.P. Malyk

Lviv Polytechnic National University, 12, S. Bandera St., 79013 Lviv, Ukraine

Issue Volume 14, Year 2022, Number 5
Dates Received 22 August 2022; revised manuscript received 20 October 2022; published online 28 October 2022
Citation O.P. Malyk, J. Nano- Electron. Phys. 14 No 5, 05007 (2022)
PACS Number(s) 72.20.Dp
Keywords CdTe (15) , Electron transport, Point defects, Ab initio calculation.

The article deals with a method of determining the energy spectrum, the electron wave function and the crystal potential in CdTe at an arbitrary given temperature. Using this approach, the temperature dependences of the ionization energies of intrinsic defects in cadmium telluride are calculated within the framework of the supercell method. The proposed method also makes it possible to define the temperature dependences of the optical and acoustic deformation potentials, as well as the temperature dependence of the parameters of electron scattering on ionized impurities, polar optical, piezooptical and piezoacoustic phonons. Within the framework of short-range scattering models, the temperature dependences of the electron mobility and Hall factor are considered.

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