Prediction of the Kinetic Properties of Sphalerite CdSexTe1−x (0.1 ≤ x ≤ 0.5) Solid Solution: an Ab Initio Approach

Transport phenomena in copper doped cadmium telluride: calculation from the first principles

“…When considering the transport phenomena in p-CdTe, the heavy hole short-range scattering models were used [8,14,15]. To calculate the heavy hole transition probability, it is necessary to determine some scattering constants the finding of which, in turn, requires the determination of the valence band wave function and the crystal potential.…”

“…Accordingly, the valence band wave function and the crystal potential at temperatures of 0 K and 300 K were obtained. Based on the short-range scattering models [8,14,15] , as well as using the obtained wave functions and crystal potentials, the following scattering constants can be calculated at 0 K and 300 K, namely:…”

“…where the region of integration is the same as in the case of PO scattering; v e -a unitary contravariant polarization vector of the optical oscillations; vector V is expressed in terms of the derivatives of the selfconsistent electron potential energy over the coordinates of the atoms of the unit cell [15,17].…”

Elastic properties of CdTe1–xSex(x = 1/16) solid solution: First principles study

“…The A II B VI semiconductor compounds and their solid solutions, such as CdTeSe, have attracted considerable attention in both fundamental research and technological applications because of their wide use in fabrication of various optoelectronic devices [1][2][3][4][5][6][7][8][9][10]. This semiconducting solid solution demonstrates high values of the absorption coefficient and the possibility to adjust its band-gap by changing the content of Se for effective solar energy conversion [11].…”

“…Up to now, we have found some information about physical properties of CdTeSe solid solution [9][10][11][19][20][21][22][23][24]. Considerable attention of researchers is focused on the study of structural, optical, and electronic properties inherent to CdTeSe films [25] examined for different Se concentrations improving the performance of CdTe-based thin-film solar cells, the effectiveness of which is largely limited by the concentration of doping and the lifetime of minority carriers.…”