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Statistical strained-tetrahedron model of local ternary zinc blende crystal structures

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dc.contributor.author Robouch, B.V.
dc.contributor.author Sheregii, E.M.
dc.contributor.author Kisiel, A.
dc.date.accessioned 2017-06-11T17:02:17Z
dc.date.available 2017-06-11T17:02:17Z
dc.date.issued 2004
dc.identifier.citation Statistical strained-tetrahedron model of local ternary zinc blende crystal structures / B.V. Robouch, E.M. Sheregii, A. Kisiel // Физика низких температур. — 2004. — Т. 30, № 11. — С. 1225–1234. — Бібліогр.: 18 назв. — англ. uk_UA
dc.identifier.issn 0132-6414
dc.identifier.other PACS: 78.30.Er
dc.identifier.uri http://dspace.nbuv.gov.ua/handle/123456789/120342
dc.description.abstract The statistical strained-tetrahedron model was developed to overcome two common assumptions of previous models: 1) rigid undistorted ion sublattice of regular tetrahedra throughout all five configurations and 2) random ion distribution. These simplifying assumptions restrict the range of applicability of the models to a narrow subset of ternary alloys for which the constituent binaries have their lattice constants and standard molar enthalpies of formation (∆fH₀) equal or quasi-equal. Beyond these limits predictions of such models become unreliable, in particular, when the ternary exhibits site occupation preferences. The strained-tetrahedron model, free from rigidity and stochastic limitations, was developed to better describe and understand the local structure of ternary zinc blende crystals, and interpret experimental EXAFS and far-IR spectra. It considers five tetrahedron configurations with the shape and size distortions characteristic of ternary zinc blende alloys, allows nonrandom distributions and, hence, site occupation preferences, conserves coordination numbers, respects stoichiometry, and assumes that next-neighbor values determine preferences beyond next-neighbor. The configuration probabilities have three degrees of freedom. The nineteen inter-ion crystal distances are constrained by tetrahedron structures; to avoid destructive stresses, we assume that the average tetrahedron volumes of both sublattices relax to equal values. The number of distance free-parameters ≤ 7. Model estimates, compared to published EXAFS results, validate the model. Knowing the configuration probabilities, one writes the dielectric function for far-infrared absorption or reflection spectra. Constraining assumptions restrict the number of degrees of freedom. Deconvolution of the experimental spectra yields site-occupation- preference coefficient values and/or specific oscillator strengths. Validation again confirms the model. uk_UA
dc.description.sponsorship Part of the work was supported by the EU TARIproject contract HPRI-CT-1999-00088. uk_UA
dc.language.iso en uk_UA
dc.publisher Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України uk_UA
dc.relation.ispartof Физика низких температур
dc.subject Фазовые переходы и структура полупроводниковых соединений uk_UA
dc.title Statistical strained-tetrahedron model of local ternary zinc blende crystal structures uk_UA
dc.type Article uk_UA
dc.status published earlier uk_UA


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