(Ga,In)P: A standard alloy in the classification of phonon mode behavior

Pagès, O.; Chafi, A.; Fristot, Danièle; Postnikov, A. V.

doi:10.1103/physrevb.73.165206

Cited by 24 publications

(10 citation statements)

References 42 publications

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“…In contrast, it is well known from extended x-ray absorption fine structure (EXAFS) studies that the average A-C and B-C bond lengths in ternary III-V and II-VI alloys are very different from each other and remain close to their binary values over the whole compositional range ( [7][8][9] and references therein). Similar observations have also been made using scanning tunneling microscopy [10,11], Raman scattering [12,13], and x-ray diffraction [14].…”

Section: Introductionsupporting

confidence: 72%

Structural and electronic contributions to the bandgap bowing of (In,Ga)P alloys

Schnohr¹

2012

J. Phys.: Condens. Matter

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The variation of atomic configurations and their corresponding structural parameters, such as first nearest neighbor distances, is a characteristic feature of ternary semiconductor alloys with zincblende structure. It has a strong influence on important material properties, most prominently the bandgap energy, and can contribute to a nonlinear behavior with changing alloy composition. Using (In,Ga)P as a model system, the atomic-scale structure has been modeled for all possible first nearest neighbor configurations based on experimentally determined structural parameters. While the average position of the P anion corresponds to the ideal lattice site, the average distance from this ideal lattice site does not vanish even in the random alloy. Based on this average anion displacement, the contribution to the bandgap bowing caused by structural relaxation of the alloy was calculated over the whole compositional range. Furthermore, the bowing contribution arising from the overall change of the In-P and Ga-P distances with respect to the binary values was determined. Thus, a clear distinction between the bandgap bowing caused by structural effects on the one hand and by charge redistribution on the other hand is possible.

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Section: Introductionsupporting

confidence: 72%

Structural and electronic contributions to the bandgap bowing of (In,Ga)P alloys

Schnohr¹

2012

J. Phys.: Condens. Matter

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“…104 The element-specific bond lengths further have a strong influence on the phonon modes observed with Raman spectroscopy, particularly on the impurity modes of the dilute limit. [105][106][107][108][109][110][111][112] It has been pointed out, however, that a full quantitative understanding of the relation between the local atomic arrangements and the various transverse and longitudinal optical modes is not trivial. 109,111,112 An independent determination of structural and vibrational properties of semiconductor alloys such as the EXAFS studies FIG.…”

Section: First Nearest Neighbor Shellmentioning

confidence: 99%

Compound semiconductor alloys: From atomic-scale structure to bandgap bowing

Schnohr¹

2015

Applied Physics Reviews

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Compound semiconductor alloys such as InxGa1−xAs, GaAsxP1−x, or CuInxGa1−xSe2 are increasingly employed in numerous electronic, optoelectronic, and photonic devices due to the possibility of tuning their properties over a wide parameter range simply by adjusting the alloy composition. Interestingly, the material properties are also determined by the atomic-scale structure of the alloys on the subnanometer scale. These local atomic arrangements exhibit a striking deviation from the average crystallographic structure featuring different element-specific bond lengths, pronounced bond angle relaxation and severe atomic displacements. The latter, in particular, have a strong influence on the bandgap energy and give rise to a significant contribution to the experimentally observed bandgap bowing. This article therefore reviews experimental and theoretical studies of the atomic-scale structure of III-V and II-VI zincblende alloys and I-III-VI2 chalcopyrite alloys and explains the characteristic findings in terms of bond length and bond angle relaxation. Different approaches to describe and predict the bandgap bowing are presented and the correlation with local structural parameters is discussed in detail. The article further highlights both similarities and differences between the cubic zincblende alloys and the more complex chalcopyrite alloys and demonstrates that similar effects can also be expected for other tetrahedrally coordinated semiconductors of the adamantine structural family.

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“…The "percolation model" is due to Olivier Pagès who introduced it in 2001 [3] and pursued in a number of publications since then, applied to pseudobinary semiconductor alloys, e.g., (Zn,Be)Se [4], (Ga,In)P [5] and Ga(As,P) [6]. An unified approach to different "scenarios" of phonon mode behavior as function of concentration in various II-VI and III-V pseudobinary semiconductor alloys has been formulated in Ref.…”

Section: Basics and History Of The Percolation Modelmentioning

confidence: 99%

Ab initio lattice dynamics of mixed semiconductors

Postnikov¹

2015

AIP Conference Proceedings

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This contribution sums up the studies done during last ten or so years at our laboratory, emphasizing notably the context of first-principles calculations, devoted to elucidating the vibration spectra of pseudobinary semiconductor alloys. The "percolation model" due to O. Pagès is brought into consideration as that going beyond the historically important modified-random-element-isodisplacement (MREI) model by Chang and Mitra. Essential parameters of the percolation model are explained, and how they can be deduced from (or, tested by comparison with) first-principles calculations on selected benchmark systems. Different manifestations of the percolation model / ab inito interplay are briefly discussed.

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(Ga,In)P: A standard alloy in the classification of phonon mode behavior

Cited by 24 publications

References 42 publications

Structural and electronic contributions to the bandgap bowing of (In,Ga)P alloys

Structural and electronic contributions to the bandgap bowing of (In,Ga)P alloys

Compound semiconductor alloys: From atomic-scale structure to bandgap bowing

Ab initio lattice dynamics of mixed semiconductors

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