Structural distortions and polymorphic behaviour in ABC2 and AB2C4 tetrahedral compounds

Garbato, L.; Ledda, F.; Rucci, A.

doi:10.1016/0146-3535(87)90008-6

Cited by 72 publications

(32 citation statements)

References 66 publications

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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: 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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Section: First Upstrokementioning

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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“…Order/disorder phenomena have also been reported for AB 2 X 4 ordered vacancy compounds (OVC) [4,5]. In the fully ordered defect chalcopyrite structure, with I-4 space group (s.g.) B and A atoms occupy {2a, 2c} and 2d sites, respectively.…”

mentioning

confidence: 93%

Thermally activated cation ordering in Zn_0.5Mn_0.5Ga₂Se₄ single crystals studied by Raman scattering

Alonso-Gutiérrez

Sanjuán²,

Morón

2009

Phys. Status Solidi (c)

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Order/disorder phenomena in Zn0.5Mn0.5Ga2Se4 related to changes in the cation occupancies are studied by Raman scattering. The cation distribution can be modified by submitting the sample to a controlled heating and cooling cycle. Three different stages of order/disorder type were observed. On heating above an onset temperature of ≈250 °C, the partially disordered as‐grown material (I ‐42m space group) evolves toward an ordered configuration with I ‐4 space group. At a temperature close to 500 °C the samples undergoes an order/disorder phase transition to a partially disordered structure that maintains the ordered stoichiometric vacancies. Slow cooling across the phase transition allows the cations to equilibrate and results in an almost fully ordered cation distribution at RT. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)

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“…121, Z ¼ 2) was found between the fully ordered DC structure and the fully disordered zincblende (DZ) structure. 3,17 However, till now there is no absolutely convincing report showing evidences of the intermediate phases with partial cationvacancy disorder in OVCs under high pressure.…”

Section: VImentioning

confidence: 99%

Vibrational study of HgGa2S4 under high pressure

Vilaplana

Robledillo

Gomis

et al. 2013

Journal of Applied Physics

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Stimulated crystallization of melt-quenched Ge2Sb2Te5 films employing femtosecond laser double pulses J. Appl. Phys. 112, 123520 (2012) Controlled joining of Ag nanoparticles with femtosecond laser radiation J. Appl. Phys. 112, 123519 (2012) Structural, elastic, and vibrational properties of layered titanium dichalcogenides: A van der Waals density functional study J. Chem. Phys. 137, 224509 (2012) Additional information on J. Appl. Phys. In this work, we report on high-pressure Raman scattering measurements in mercury digallium sulfide (HgGa 2 S 4 ) with defect chalcopyrite structure that have been complemented with lattice dynamics ab initio calculations. Our measurements evidence that this semiconductor exhibits a pressure-induced phase transition from the completely ordered defect chalcopyrite structure to a partially disordered defect stannite structure above 18 GPa which is prior to the transition to the completely disordered rocksalt phase above 23 GPa. Furthermore, a completely disordered zincblende phase is observed below 5 GPa after decreasing pressure from 25 GPa. The disordered zincblende phase undergoes a reversible pressure-induced phase transition to the disordered rocksalt phase above 18 GPa. The sequence of phase transitions here reported for HgGa 2 S 4 evidence the existence of an intermediate phase with partial cation-vacancy disorder between the ordered defect chalcopyrite and the disordered rocksalt phases and the irreversibility of the pressure-induced orderdisorder processes occurring in ordered-vacancy compounds. The pressure dependence of the Raman modes of all phases, except the Raman-inactive disordered rocksalt phase, have been measured and discussed.

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Structural distortions and polymorphic behaviour in ABC2 and AB2C4 tetrahedral compounds

Cited by 72 publications

References 66 publications

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

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

Thermally activated cation ordering in Zn_0.5Mn_0.5Ga₂Se₄ single crystals studied by Raman scattering

Vibrational study of HgGa2S4 under high pressure

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Structural distortions and polymorphic behaviour in ABC2 and AB2C4 tetrahedral compounds

Cited by 72 publications

References 66 publications

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

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

Thermally activated cation ordering in Zn0.5Mn0.5Ga2Se4 single crystals studied by Raman scattering

Vibrational study of HgGa2S4 under high pressure

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Thermally activated cation ordering in Zn_0.5Mn_0.5Ga₂Se₄ single crystals studied by Raman scattering