Heavy hole scattering on intrinsic acceptor defects in cadmium telluride: calculation from the first principles


  • O.P. Malyk Lviv Polytechnic National University
  • S.V. Syrotyuk Lviv Polytechnic National University




Transport phenomena, Crystal defects, CdTe, Ab initio calculation


In the present paper the way to describe the energy spectrum, the wave function and self- consistent potential in a semiconductor with a sphalerite structure at a predetermined temperature is proposed. Using this approach within the framework of the supercell method the temperature dependences of the ionization energy of intrinsic acceptor defects in cadmium telluride are calculated. In addition, on the basis of this method, the temperature dependences of the heavy holes effective mass, optical and acoustic deformation potentials, as well as of the heavy holes scattering parameters on ionized impurities, polar optical, piezooptic and piezoacoustic phonons were established. Within the framework of short-range scattering models the temperature dependences of the heavy hole mobility and Hall factor in CdTe crystals with defects concentrations 5´*1022 -  5*´1024 cm-3 are considered.


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How to Cite

Malyk, O., & Syrotyuk, S. (2022). Heavy hole scattering on intrinsic acceptor defects in cadmium telluride: calculation from the first principles. Physics and Chemistry of Solid State, 23(1), 89–95. https://doi.org/10.15330/pcss.23.1.89-95



Scientific articles (Physics)