Solid Solution Series between CdIn2Te4 and AgInTe2 Investigated by Resonant X‐ray Scattering

Welzmiller, Simon; Hennersdorf, Felix; Fitch, Andy

doi:10.1002/zaac.201400400

Cited by 8 publications

(15 citation statements)

References 23 publications

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“…This reduces the number of independent occupation factors for any given atomic side, thus simplifying the analysis. Solid solutions of silver indium telluride semiconductors with cadmium indium telluride have been analyzed by joint Rietveld refinement making use of anomalous scattering of all four elements involved [38,39]. The K-edges of these species lie in the range of 25 -32 keV.…”

Section: Solid Solutionsmentioning

confidence: 99%

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The use of anomalous x-ray diffraction as a tool for the analysis of compound semiconductors

Többens

Schorr

2017

Semicond. Sci. Technol.

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We provide a review about the current and previous use of anomalous diffraction of X-rays in the analysis of compound semiconductors. Among the large number of available techniques, those that have been used in successful experiments on this class of compounds are identified. An exhaustive overview of the compound semiconductor systems studied successfully is given and the kind of results derived in the experiments is discussed.

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Section: Solid Solutionsmentioning

confidence: 99%

“…In contrast for example, silver indium telluride [38,39] also has a crystal structure derived from the sphalerite type by cation ordering. The disordered form has the same symmetry as disordered CZTS, 𝐼4 ̅ 2𝑚 with a doubling of the c-lattice parameter compared to the cubic unit cell of sphalerite.…”

Section: Order-disorder Phase Transitionsmentioning

confidence: 99%

The use of anomalous x-ray diffraction as a tool for the analysis of compound semiconductors

Többens

Schorr

2017

Semicond. Sci. Technol.

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“…AgIn x Sb 1−x Te 2 , 1 with a wide range of energy band gaps and lattice parameters. [2][3][4] AgInTe 2 is also known to undergo a structural phase transition from its 4-fold coordinated chalcopyrite-type crystal structure (I 42d, cf. Fig.…”

Section: Introductionmentioning

confidence: 99%

NMR study of AgInTe$_2$ at normal and high pressure

Guehne¹,

Kattinger²,

Bertmer³

et al. 2022

Preprint

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The ternary semiconductor AgInTe 2 is a thermoelectric material with chalcopyritetype structure that transforms reversibly into a rocksalt-type structure under high pressure. Nuclear magnetic resonance (NMR) is considered to provide unique insight into material properties on interatomic length scales, especially in the context of structural phase transitions. Here, 115 In and 125 Te NMR is used to study AgInTe 2 for ambient conditions and pressures up to 5 GPa. Magnetic field dependent and magic angle spinning (MAS) experiments of 125 Te prove strongly enhanced internuclear couplings, as well as a distribution of isotropic chemical shifts suggesting a certain degree of cation disorder. The indirect nuclear coupling is smaller for 115 In, as well as the chemical shift distribution in agreement with the crystal structure. The 115 In NMR is further governed by a small quadrupolar interaction (ν Q ≈ 90 kHz) and shows an orders of magnitude faster nuclear relaxation in comparison to that of 125 Te. At a pressure of about 3 GPa, the 115 In quadrupole interaction increases sharply to about 2400 kHz, indicating a phase transition to a structure with a well defined, though non-cubic local symmetry, while the 115 In shift suggests no significant changes of the electronic structure. The NMR signal is lost above about 5 GPa (at least up to about 10 GPa). However, upon releasing the pressure a signal is recovered that points to the reported metastable ambient pressure phase with a high degree of disorder.

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“…It was first described in space group I4̅ , 33 but a later analysis using synchrotron radiation revealed that it crystallizes in space group I4̅ 2m, 34 which was confirmed by an anomalous dispersion study, which also revealed the disordered element distribution. 35 Multinary chalcopyrite-type and related semiconductors often contain elements with similar electron counts (e.g., Cd, Ag, In, Sn, Te), which cannot be effectively distinguished either by conventional X-ray scattering or by neutron scattering due to low scattering contrast. This problem can be overcome by resonant X-ray scattering, when the (energy-but not angledependent) anomalous dispersion terms of the atomic form factor f, i.e., the real part Δf ′ and the imaginary part Δf ″, increase at the absorption edges of elements.…”

Section: ■ Introductionmentioning

confidence: 99%

Silver Indium Telluride Semiconductors and Their Solid Solutions with Cadmium Indium Telluride: Structure and Physical Properties

et al. 2015

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Ag0.8In2.4Te4 (= AgIn3Te5) and Ag0.5In2.5Te4 (= AgIn5Te8) form solid solutions with CdIn2Te4, which are interesting as materials for photovoltaics or with respect to their thermoelectric properties. The corresponding crystal structures are related to the chalcopyrite type. Rietveld refinements of high-resolution synchrotron powder diffraction data measured at K-absorption edges of Cd, Ag, In, and Te and electron diffraction reveal the symmetry as well as the element and vacancy distribution in Ag0.8In2.4Te4 (= AgIn3Te5)/Ag0.5In2.5Te4 (= AgIn5Te8) mixed crystals such as Ag0.25Cd0.5In2.25Te4 and Ag0.2Cd0.75In2.1Te4. All compounds of the solid solution series (CdIn2Te4)x(Ag0.5In2.5Te4)1-x exhibit the HgCu2I4 structure type (space group I4̅2m) with completely ordered vacancies but disordered cations. The uniform cation distribution and thus the local charge balance are comparable to that of CdIn2Te4. In contrast, Ag0.8In2.4Te4 (= AgIn3Te5) crystallizes in the space group P4̅2c with disordered cations and partially ordered vacancies. This is corroborated by bond-valence sum calculations and the fact that there is a Vegard-like behavior for compounds with 0.5 < x in the pseudobinary system (CdIn2Te4)x(Ag0.8In2.4Te4)1-x. Owing to the different structures, there is no complete solid solution series between CdIn2Te4 and AgIn3Te5. All compounds in this work are n-type semiconductors with a low electrical conductivity (∼1 S/m) and rather high absolute Seebeck coefficients (up to -750 μV/mK; 225 °C). Electrical band gaps (Eg) determined from the Seebeck coefficients as well as (more reliably) from the electrical conductivity range between 0.19 and 1.13 eV.

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Solid Solution Series between CdIn₂Te₄ and AgInTe₂ Investigated by Resonant X‐ray Scattering

Cited by 8 publications

References 23 publications

The use of anomalous x-ray diffraction as a tool for the analysis of compound semiconductors

The use of anomalous x-ray diffraction as a tool for the analysis of compound semiconductors

NMR study of AgInTe$_2$ at normal and high pressure

Silver Indium Telluride Semiconductors and Their Solid Solutions with Cadmium Indium Telluride: Structure and Physical Properties

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