EXAFS data resolved into individual site occupation preferences in quaternary compounds with tetrahedral coordinated structure

Robouch, B. V.; Kisiel, A.

doi:10.1016/s0925-8388(98)00984-0

Cited by 14 publications

(8 citation statements)

References 30 publications

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“…Distortions induced in a system due to doping not only affects the interatomic distances but also the angles contained by them, which tend to buckle accordingly [2,[50][51][52][53][54][55], deviating from their ideal bond angle values. Theoretical models [3,56] have also been developed for the local structure of such disordered alloys. Clearly, the observation of the validity of Vegard's law for the global structure from XRD in all such cases must be interpreted within the aforementioned constraints of experimental observations of relative invariance of the individual bond lengths of the constituents.…”

Section: Introductionmentioning

confidence: 99%

Microscopic description of the evolution of the local structure and an evaluation of the chemical pressure concept in a solid solution

et al. 2014

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Extended x-ray absorption fine-structure studies have been performed at the Zn K and Cd K edges for a series of solid solutions of wurtzite Zn 1−x Cd x S samples with x = 0.0, 0.1, 0.25, 0.5, 0.75, and 1.0, where the lattice parameter as a function of x evolves according to the well-known Vegard's law. In conjunction with extensive, large-scale first-principles electronic structure calculations with full geometry optimizations, these results establish that the percentage variation in the nearest-neighbor bond distances are lower by nearly an order of magnitude compared to what would be expected on the basis of lattice parameter variation, seriously undermining the chemical pressure concept. With experimental results that allow us to probe up to the third coordination shell distances, we provide a direct description of how the local structure, apparently inconsistent with the global structure, evolves very rapidly with interatomic distances to become consistent with it. We show that the basic features of this structural evolution with the composition can be visualized with nearly invariant Zn-S 4 and Cd-S 4 tetrahedral units retaining their structural integrity, while the tilts between these tetrahedral building blocks change with composition to conform to the changing lattice parameters according to the Vegard's law within a relatively short length scale. These results underline the limits of applicability of the chemical pressure concept that has been a favored tool of experimentalists to control physical properties of a large variety of condensed matter systems.

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Section: Introductionmentioning

confidence: 99%

Microscopic description of the evolution of the local structure and an evaluation of the chemical pressure concept in a solid solution

et al. 2014

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“…The results of Islam and Bunker [19] and of Kisiel et al [20] were analyzed [25] and good agreement was reached.…”

Section: Comparison With the Experimental Datamentioning

confidence: 79%

Statistical models of the local structure in ternary and quaternary zinc-blende structures

Konior

Kisiel

2004

Journal of Alloys and Compounds

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“…7 continuous lines are the best fit of experimental data. The coefficients of the polynomial best-fit yields the population probabilities W k of ion pairs in the tetrahedron configurations T k [25], with no need of clustering of ion pairs.…”

Section: Internal Preferences In Ternary and Quaternary Compoundsmentioning

confidence: 99%

“…More than a decade ago, the theoretical Statistical model started to be developed [28] to interpret also FIR observations of transverse optical (TO) frequencies and intensities or oscillator strengths (OS) [28]. Several ternary alloys (ZnCdTe [2,29], CdHgTe and ZnHgTe [29]) and quaternary alloys [2] (Cd x Mn 1-x Te y Se 1-y [25] and Zn x Cd y Hg 1-x-y Te [26] were analyzed. The theoretical Statistical model successfully compared information derived from the FIR frequency and intensity of phonon vibration spectra to the information obtained by EXAFS.…”

Section: Internal Preferences In Ternary and Quaternary Compoundsmentioning

confidence: 99%

Local crystalline structure of multinary semiconducting alloys: Random vs. ordered distributions

Kisiel¹,

Robouch²,

Marcelli³

2017

Opto-Electronics Review

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A description of the status of the art of experimental and theoretical investigations of local crystalline structures of tetrahedron ordered ternary and quaternary semiconducting alloys is presented. Experimental EXAFS data and FTIR analysis are summarized and analyzed using both the Rigid Network Cations theoretical model and the Strained-tetrahedra model. Internal preferences of ion pairs in ternary and quaternary alloys are discussed. Several ternary systems of different structures show ideal quasi-canonical Bernoulli distributions, while others are characterized by extreme preferences in which one, several or even all configurations are depressed or even lacking. The results demonstrate that the validity of the Bernoulli distribution is limited and not fulfilled in many systems. This article is an expanded version of the scientific reports presented at the

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EXAFS data resolved into individual site occupation preferences in quaternary compounds with tetrahedral coordinated structure

Cited by 14 publications

References 30 publications

Microscopic description of the evolution of the local structure and an evaluation of the chemical pressure concept in a solid solution

Microscopic description of the evolution of the local structure and an evaluation of the chemical pressure concept in a solid solution

Statistical models of the local structure in ternary and quaternary zinc-blende structures

Local crystalline structure of multinary semiconducting alloys: Random vs. ordered distributions

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