Model of the local structure of random ternary alloys: Experiment versus theory

Balzarotti, A.; Motta, Nunzio; Kisiel, A.; Zimnal-Starnawska, M.; Czyyk, M. T.; Podgórny, M.

doi:10.1103/physrevb.31.7526

Cited by 224 publications

(143 citation statements)

References 34 publications

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“…6). These differences in behavior indicate 21,37,38 that the Zn sublattice is more likely to be distorted than the anion one. In Fig.…”

Section: Structural Modelmentioning

confidence: 95%

“…7, the behavior of the static disorder associated with second neighbor distances support this argument, as the static disorder is more important in the cation sublattice than in the anion one. From an intuitive point of view, following Balzarotti et al, 37 if first neighbor interactions are dominant in the alloy it is very likely that Zn atoms, surrounded by different anions, will leave its central position in the tetrahedron. The cation-anion distance has been theoretically investigated using statistical models where all the configurations around the Zn atoms, with 0,1,2,3, or 4 Se atoms, have been taken into account.…”

Section: Structural Modelmentioning

confidence: 99%

See 1 more Smart Citation

X-ray-absorption fine-structure study of ZnSexTe1−x alloys

Pellicer‐Porres¹,

Polian²,

Segura

et al. 2004

Journal of Applied Physics

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X-ray-absorption fine-structure experiments at different temperatures in ZnSe x Te 1−x (x = 0, 0.1, 0.2, 0.55, 0.81, 0.93, 0.99, and 1.0) have been performed in order to obtain information about the structural relaxation and disorder effects occurring in the alloys. First and second neighbor distance distributions have been characterized at the Se and Zn K edges, using multiple-edge and multiple-scattering data analysis. The first neighbor distance distribution was found to be bimodal. The static disorder associated with the Zn-Te distance variance did not depend appreciably on composition. On the other hand, the static disorder associated with the Zn-Se distance increased as the Se content diminished. Using the bonding angle information provided by our experiments the point of view of the anion has been related to that of the cation. The resulting structural model indicates that Zn tetrahedra surrounding the anions remain essentially undistorted, but forced to tilt from their ideal zincblende orientation to accommodate the minority element. The main origin of structural disorder is suggested.

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“…6). These differences in behavior indicate 21,37,38 that the Zn sublattice is more likely to be distorted than the anion one. In Fig.…”

Section: Structural Modelmentioning

confidence: 95%

Section: Structural Modelmentioning

confidence: 99%

X-ray-absorption fine-structure study of ZnSexTe1−x alloys

Pellicer‐Porres¹,

Polian²,

Segura

et al. 2004

Journal of Applied Physics

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“…Experimental EXAFS measurements have been carried out with the use of synchrotron radiation at the Adone wiggler facility in Frascati applying the Si(111) and Si(220) channel-cut crystal monochromation [8]. The original samples were high purity monocrystalline binary CdTe, CdSe, MnTe and MnSe standard compounds, ternaries CdMnTe (also examined before in [9]) and Cd0.75 Mn0.25Se, as well as Cd1-xMnxΤe1-ySey (x = 0.00, 0.05, 0.10, 0.15; y = 0.00, 0.10, 0.20) quaternary compounds produced by Bridgman method. The binary compounds crystallize in different stuctures: CdTe in zinc-blende structure, MnSe in NaCl stuc-ture, MnTe and CdSe in hexagonal NiAs and in wurtzite stuctures, respectively.…”

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confidence: 99%

Manganese Distribution in CdMnTeSe Crystals. EXAFS Data Analysis

et al. 1996

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The extended X-ray absorption fine structure (EXAFS) technique has been used to investigate the first shell coordination in zinc-blende quaternary In tetrahedrally coordinated III-V and II-VI semiconducting compounds there exist two sublattices occupied respectively by anions and cations. In Α1-x B x C and ΑC1-yDy ternary or A1-xBxC1-yDy quaternary compounds a basic question concerns a random or non-random substitution of the Α by B and C by D ions in respective sublattices. The first answer to this question has been obtained from infrared phonon mode analysis for GaΡl-and CdTe1-y Sey [4] ternary alloys. In all these experiments an additional feature in the infrared reflectivity spectrum has been observed and interpreted as a result of next nearest neighbours clustering [1][2][3][4]. The information concerning the partial clustering of ternary compounds have been also obtained from nuclear magnetic resonance in CdHgTe [5] and recently, in extended X-ray absorption fine stucture (EXAFS) analysis for diluted magnetic semiconduction ZnMnSe [6], as well as for non-magnetic quaternary In1-x Gax Sb1-y Asy alloys [7]. EXAFS analysis for ZnMnSe [6] shows that Zn-Mn coordination number is

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“…Thus around a central Z ion the first shell four A/B ions are described by p k [4] (x), while the second shell contains twelve Z ions! On the other hand, around an A or B ions, the first shell contains four Z ions, while the second shell distribution of the twelve ions A/B is described by p k [12] (x).…”

Section: The Object Under Studymentioning

confidence: 99%

“…In the hope of better understanding their local structure, we considered the interpretation of extended x-ray absorption fine structure (EXAFS) (see theoretical considerations [1,2] since 1981) and vibrational spectra observed in the far-infrared region (FIR spectra). EXAFS was applied soon after [3,4] with, alas, no review paper covering the abundant literature devoted to it. For literature on the FIR spectra, see, for instance, the review articles [5][6][7] and book [8].…”

Section: Introductionmentioning

confidence: 99%

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

Robouch

Sheregii

Kisiel

2004

Low Temperature Physics

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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 (D f H 0 ) 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.

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Model of the local structure of random ternary alloys: Experiment versus theory

Cited by 224 publications

References 34 publications

X-ray-absorption fine-structure study of ZnSexTe1−x alloys

X-ray-absorption fine-structure study of ZnSexTe1−x alloys

Manganese Distribution in CdMnTeSe Crystals. EXAFS Data Analysis

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

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