Cation ordering and crystal structures in AGa2X4 compounds (CoGa2S4, CdGa2S4, CdGa2Se4, HgGa2Se4, HgGa2Te4)

Gastaldi, L; Simeone, M.G.; Viticoli, S.

doi:10.1016/0038-1098(85)90821-x

Cited by 78 publications

(41 citation statements)

References 5 publications

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“…They deviate only little from those reported by Gastaldi et al [10], a = 569.3 pm, c = 1082.6 pm. The lattice constants a and c change only very slightly in dependence on the annealing temperature.…”

Section: The Chalcopyrite Phase At K* = 075contrasting

confidence: 56%

“…Table 2 shows that the c/a ratio slightly increases with increasing annealing temperatures, but even at 1000 K it still deviates rather strongly from the ideal value of 2. According to Gastaldi et al [10] a value of c/a = 2 would be characteristic for only partially ordered structures, as for example for β-(HgGa 2 V )Te 4 , in which the Hg ions are well ordered, whereas the trivalent Ga ions and the structural vacancies are randomly disordered on the remaining sites in the cation sublattice. Obviously, in the telluride lattice, due to its higher lattice constants, the activation enthalpy for the Ga-diffusion is decreased so distinctly that there the ordering of the Ga ions is thermally disturbed.…”

Section: The Chalcopyrite Phase At K* = 075mentioning

confidence: 98%

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The phase diagram of the quasibinary system Hg3Se3/Ga2Se3

Kerkhoff

Leute

2004

Journal of Alloys and Compounds

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The quasibinary system Hg 3 Se 3 /Ga 2 Se 3 was investigated by X-ray phase analysis and by DTA. The system forms extended regions of solid solutions with zincblende structure. Moreover, it shows at several distinct stoichiometries the formation of superstructures. The phase diagram of this system can be modeled by a Gibbs energy function for a sub-regular system including ordering terms. The thermodynamic factor for interdiffusion was calculated from the excess Gibbs energy function.

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Section: The Chalcopyrite Phase At K* = 075contrasting

confidence: 56%

Section: The Chalcopyrite Phase At K* = 075mentioning

confidence: 98%

The phase diagram of the quasibinary system Hg3Se3/Ga2Se3

Kerkhoff

Leute

2004

Journal of Alloys and Compounds

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“…Interestingly, the decrease of c / a with x suggests a tendency to an increase in cation ordering as the Mn content increases. 21 Moreover, the decrease of c / a with x, from the value of 2 expected for the cubic zinc-blende structure, also indicates an increase of the tetragonal distortion as the concentration of magnetic atoms is increased.…”

Section: A Structurementioning

confidence: 90%

Effect of magnetic dilution in Zn1−xMnxGa2Se4 (0<x<0.5)

Morón

Hull

2005

Journal of Applied Physics

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The profound effect of magnetic dilution in Zn 1−x Mn x Ga 2 Se 4 with 0 Ͻ x Ͻ 0. 5 is demonstrated by the analysis of neutron powder diffraction and magnetic susceptibility data. All the members of the series show a defective stannite crystal structure and a random distribution of the Mn ions. The magnetic archetype system of Zn 1−x Mn x Ga 2 Se 4 with 0 Ͻ x Ͻ 0. 5 is not found to be MnGa 2 Se 4 ͑the magnetic end member of the series with I4 symmetry͒ but, instead, a hypothetical compound with I42m symmetry. The distance between the Mn ions along the various magnetic superexchange pathways is not seriously affected by the degree of dilution. However, the global magnetic interaction between manganese ions is found to be significantly higher than that expected for the classical magnetic dilution of the parent MnGa 2 Se 4 . A generally applicable method for the calculation of the correct Weiss temperature in diluted magnetic semiconductors is provided.

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“…It is known that the c/a ratio at ambient pressure is much smaller for DC than for DS compounds and that the cation disorder is favored on decreasing the tetragonal distortion; i.e., when c/a tend to 2. 10,32 In fact, the c/a ratio of DC structures with Ga and Se, like CdGa 2 Se 4 and HgGa 2 Se 4 , is close to 1.90 while that of the DS structure of ZnGa 2 Se 4 is around 1.98. 21 Therefore, the increase of the c/a ratio with pressure cannot be attributed to the increase of cation disorder on increasing pressure in DC-CdGa 2 Se 4 .…”

Section: First Upstrokementioning

confidence: 93%

“…7,8 In addition, this compound is a promising optoelectronic material due to its high values of nonlinear susceptibility, optical activity, intense luminescence, and high photosensitivity. 2 CdGa 2 Se 4 is an OVC of the A II B 2 III X 4 VI family that crystallizes in the tetragonal DC structure 9,10 as depicted in Fig. 1(a), where Ga atoms occupy 2a and 2c sites, Cd atoms occupy 2d sites, vacancies occupy 2b sites, and Se atoms occupy 8g sites.…”

Section: Introductionmentioning

confidence: 99%

High-pressure optical and vibrational properties of CdGa2Se4: Order-disorder processes in adamantine compounds

Gomis

Vilaplana

Manjón

et al. 2012

Journal of Applied Physics

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High pressure structural stability of BaLiF3 J. Appl. Phys. 110, 123505 (2011) Pressure effects on the transitions between disordered phases in supercooled liquid silicon J. Chem. Phys. 135, 204508 (2011) Microfabrication of controlled-geometry samples for the laser-heated diamond-anvil cell using focused ion beam technology Rev. Sci. Instrum. 82, 115106 (2011) First-principles investigations of elastic stability and electronic structure of cubic platinum carbide under pressure J. Appl. Phys. 110, 103507 (2011) Additional information on J. Appl. Phys. High-pressure optical absorption and Raman scattering measurements have been performed in defect chalcopyrite (DC) CdGa 2 Se 4 up to 22 GPa during two pressure cycles to investigate the pressure-induced order-disorder phase transitions taking place in this ordered-vacancy compound. Our measurements reveal that on decreasing pressure from 22 GPa, the sample does not revert to the initial phase but likely to a disordered zinc blende (DZ) structure the direct bandgap and Raman-active modes of which have been measured during a second upstroke. Our measurements have been complemented with electronic structure and lattice dynamical ab initio calculations. Lattice dynamical calculations have helped us to discuss and assign the symmetries of the Raman modes of the DC phase. Additionally, our electronic band structure calculations have helped us in discussing the order-disorder effects taking place above 6-8 GPa during the first upstroke.

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Cation ordering and crystal structures in AGa2X4 compounds (CoGa2S4, CdGa2S4, CdGa2Se4, HgGa2Se4, HgGa2Te4)

Cited by 78 publications

References 5 publications

The phase diagram of the quasibinary system Hg3Se3/Ga2Se3

The phase diagram of the quasibinary system Hg3Se3/Ga2Se3

Effect of magnetic dilution in Zn1−xMnxGa2Se4 (0<x<0.5)

High-pressure optical and vibrational properties of CdGa2Se4: Order-disorder processes in adamantine compounds

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Cation ordering and crystal structures in AGa2X4 compounds (CoGa2S4, CdGa2S4, CdGa2Se4, HgGa2Se4, HgGa2Te4)

Cited by 78 publications

References 5 publications

The phase diagram of the quasibinary system Hg3Se3/Ga2Se3

The phase diagram of the quasibinary system Hg3Se3/Ga2Se3

Effect of magnetic dilution in Zn1−xMnxGa2Se4 (0&lt;x&lt;0.5)

High-pressure optical and vibrational properties of CdGa2Se4: Order-disorder processes in adamantine compounds

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Effect of magnetic dilution in Zn1−xMnxGa2Se4 (0<x<0.5)