Statistical model of sphalerite structured quaternary A1−xBxYyZ1−y systems

Robouch, B. V.; Kisiel, A.; Marcelli, A.; Guidi, M. Cestelli; Piccinini, M.; Burattini, E.; Mycielski, A.

doi:10.1016/j.jallcom.2006.02.012

Cited by 6 publications

(12 citation statements)

References 43 publications

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“…In both sets, as the ternary is diluted in the quaternary system, different preference values respect to the pure ternary are observed. The present analysis of the experimental reflectivity FIR phonon spectra of quaternary CdMnSeTe crystals [6] confirms the model predictions and leads to a consistent interpretation of the experimental data for A 1-x B x Y y Z 1-y quaternary systems [6]. From Table 1, the total number of dipole contributions is 4 from binary + (12×2) from the ternary configurations; i.e., we expect up to 28 phonon lines in 4 basic bands (Fig.…”

Section: General Considerationssupporting

confidence: 85%

“…As generally reported, ternary tetrahedron coordinated A 1-x B x Z and AY y Z 1-y systems ( [12][13][14][15] for FIR and [16][17][18][19][20][21][22][23][24][25][26][27][28] for EXAFS), as well as balanced quaternaries of type A 1-x B x Y y Z 1-y (such as GaInAsSb [29] for EXAFS, CdMnSeTe [30] for EXAFS and [6,31] for FIR, analyzed in [32], ZnCdSeTe [33] for FIR), and unbalanced quaternary A 1-x-x′ B x′ C x Z (such as MnCdHgTe [34], ZnCdHgTe [35,36]), or AX y Y y′ Z 1-y-y′ system FIR spectra all exhibit SOPs; such preferences are linked to the thermodynamic properties of each system.…”

Section: Introductionmentioning

confidence: 93%

“…In the following, we use the same nomenclature introduced in [1] and used since [2][3][4][5][6] and define cations by A, B, C, anions by X, Y, Z, and the relative contents of site competing ions by x, x′ for cations, and by y, y′ for anions. We thus write AZ for a binary compound, A 1-x B x Z or AY y Z 1-y for a ternary system, and either A 1-x B x Y y Z 1-y (2:2 cation:anion ratios, referred to as Q22) or A 1-x-x′ B x′ C x Z or AX y Y y′ Z 1-y-y′ (with respectively (3:1 or 1:3 cation:anion ratios) for quaternary systems.…”

Section: Introductionmentioning

confidence: 99%

“…To our knowledge no EXAFS data for truly-Q systems are available in the literature. For wurzite systems, the model returns a valid analysis of EXAFS data provided the electron wave backscattering from ions beyond the next nearest neighbours (NNN) remains negligible with respect to that from nearest neighbours (NN) and from NNN ions; the same restriction applies to both balanced pseudo-Q [6] and unbalanced truly-Q [7] sphalerite structured systems.…”

Section: Introductionmentioning

confidence: 99%

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Statistical model analysis of local structure of quaternary sphalerite crystals

Robouch

Marcelli

Guidi

et al. 2007

Low Temperature Physics

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At the 2004 Ural International Winter School, we introduced the statistical strained tetrahedron model and discussed ternary tetrahedron structured crystals. The model allows one to interpret x-ray absorption fine structure (EXAFS) data and extract quantitative information on ion site occupation preferences and on the size and shape of each elemental constituent of the configuration tetrahedra. Here we extend the model to cover quaternary sphalerite crystal structures. We discuss the two topologically different quaternary sphalerite systems: the pseudo balanced A 1-x B x Y y Z 1-y (2:2 cation:anion ratio), and the unbalanced A x B x′ C 1-x-x′ Z or AX y Y y′ Z 1-y-y′ (3:1 or 1:3 cation:anion ratios) truly quaternary alloy systems. These structural differences cause preference values in pseudo quaternaries to vary with the relative contents, but to remain constant in truly quaternary compounds. We give equations to determine preference coefficient values from EXAFS or phonon spectra and to extract nearest-neighbour inter-ion distances by EXAFS spectroscopy. The procedure is illustrated and tested on CdMnSeTe, GaInAsSb, and ZnCdHgTe quaternary alloys. PACS: 61.43. Dq Amorphous semiconductors; metals and alloys.

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Section: General Considerationssupporting

confidence: 85%

Section: Introductionmentioning

confidence: 93%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Statistical model analysis of local structure of quaternary sphalerite crystals

Robouch

Marcelli

Guidi

et al. 2007

Low Temperature Physics

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“…They are also used production the device which can be work with the compounds based Cd in short and medium wavelengths. 5 A x B 1-x C type semiconductors obtained by mixing AC and AB compounds, are very important material technologically. Their structural, optical and epitaxial properties is adjusted by x doping.…”

Section: Introductionmentioning

confidence: 99%

Investigation of structural, electronic, elastic and optical properties of Cd1-x-yZnxHgyTe alloys

Tamer

2016

AIP Advances

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Structural, optical and electronic properties and elastic constants of Cd1-x-yZnx HgyTe alloys have been studied by employing the commercial code Castep based on density functional theory. The generalized gradient approximation and local density approximation were utilized as exchange correlation. Using elastic constants for compounds, bulk modulus, band gap, Fermi energy and Kramers–Kronig relations, dielectric constants and the refractive index have been found through calculations. Apart from these, X-ray measurements revealed elastic constants and Vegard’s law. It is seen that results obtained from theory and experiments are all in agreement.

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