Antisite defects in Sb2− xInxTe3 mixed crystals

• Published in: The Journal of physics and chemistry of solids Vol. 49; no. 2; pp. 191 - 198
• Main Authors: HORAK, J, STARY, Z, LOSTAK, P, PANCIR, J
• Format: Journal Article
• Language: English
• Published: Oxford Elsevier Ltd 1988; Elsevier
• Subjects: Antisite defects; Charge carriers: generation, recombination, lifetime, and trapping; Condensed matter: electronic structure, electrical, magnetic, and optical properties; Conductivity phenomena in semiconductors and insulators; Electronic transport in condensed matter; Exact sciences and technology; Physics; Sb2− xInxTe3 crystals; Antisite defects; Sb 2− x In x Te 3 crystals; Temperature; Crystal defect density; Plasma frequency; Formation free energy; Hall effect; Seebeck effect; Experimental study; Lattice parameters; Solid solution; X ray diffraction; Inorganic compound; Reflectivity; Bond polarizability; Antisite defect; Chemical composition; Charge carrier concentration; Antimony Indium Tellurides Mixed; Low temperature
• ISSN: 0022-3697; 1879-2553
• DOI: 10.1016/0022-3697(88)90050-9

Changes in the values of the plasma resonance frequency and some transport coefficients (electrical conductivity. Hall coefficient, Seebeck coefficient) of Sb 2− x In x Te 3 crystals show that an increase in the content of incorporated In atoms causes a decrease in the free carrier concentration. This result is interpreted in the following way. In atoms are incorporated in the Sb-sublattice and form uncharged substitutional defects In x Sb which, of the higher electropositivity of In than Sb, cause an increase in bond polarity and also in crystal ionicity. This effect leads to an increase in the energy of formation of antisite defects, such that the concentration of antisite defects is decreased with increasing values of x. The energy of formation of antisite defects in Sb 2− x In x Te 3 crystals has been determined for x = 0.0-0.4, these values lying in the range 0.35-0.44 eV. The conclusions about the bond polarity and the changes in the energy of formation of antisite defects are supported by quantum chemical calculations, which also provide an explanation of the changes in the lattice parameters of Sb 2− x In x Te 3 crystals with increasing values of x.