Kinetic Properties of CdSe0.4Te0.6: Connection of Ab initio Approach with Short-range Principle

Authors O.P. Malyk

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

Issue Volume 15, Year 2023, Number 5
Dates Received 10 July 2023; revised manuscript received 12 October 2023; published online 30 October 2023
Citation O.P. Malyk, J. Nano- Electron. Phys. 15 No 5, 05005 (2023)
PACS Number(s) 72.20.Dp
Keywords CdSeTe (2) , Electron transport, Point defects, Ab initio calculation, Short-range principle.

In the presented article a relationship between the structure of defects in CdSexTe1 – x (x = 0.4) and its kinetic properties is established. For the first time, a method for determining the energy spectrum, wave function, and self-consistent crystal potential in CdSe0.4Te0.6 at a predetermined temperature is proposed. Within the framework of the supercell method, the structure of defects is studied and the temperature dependences of the ionization energies of various types of defects are determined. The proposed method also makes it possible to determine the temperature dependences of the optical and acoustic deformation potentials, as well as the temperature dependence of electron scattering parameters on different types of crystal defects. Within the framework of the short-range scattering models, the dependences of the electron mobility and electron's Hall factor vs temperature are established.

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