High‐pressure phase in the chalcopyrites CuGaTe<sub>2</sub> and CuInTe<sub>2</sub>

Mori, Yojiro; Ikai, T.; Takarabe, Kenichi

doi:10.1002/pssb.200301578

Cited by 14 publications

(8 citation statements)

References 6 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…6). Based upon these facts, predictions can be made for the transition pressures of MgGa To conclude the discussion, we would like to comment that in CuGaTe 2 and CuInTe 2 the following pressure-induced structural sequence is observed: chalcopyrite → rock-salt → Cmcm [43]. The same structural sequence has been observed in sphalerite-structured binary semiconductors like CdTe [25].…”

Section: Iiid Size Criterionmentioning

confidence: 66%

High-pressure x-ray diffraction study on the structure and phase transitions of the defect-stannite ZnGa2Se4 and defect-chalcopyrite CdGa2S4

Errandonea

Kumar

Manjón

et al. 2008

Journal of Applied Physics

View full text Add to dashboard Cite

X-ray diffraction measurements on the sphalerite-derivatives ZnGa 2 Se 4 and CdGa 2 S 4 have been performed upon compression up to 23 GPa in a diamond-anvil cell. ZnGa 2 Se 4 exhibits a defect tetragonal stannite-type structure ( I42m ) up to 15.5 GPa and in the range from 15.5 GPa to 18.5 GPa the low-pressure phase coexists with a high-pressure phase, which remains stable up to 23 GPa. In CdGa 2 S 4 , we find the defect * Corresponding author, Email: daniel.errandonea@uv.es, Fax: (34) 96 3543146, Tel.: (34) 96 354 4475 tetragonal chalcopyrite-type structure ( I4 ) is stable up to 17 GPa. Beyond this pressure a pressure-induced phase transition takes place. In both materials, the high-pressure phase has been characterized as a defect-cubic NaCl-type structure ( Fm3m ). The occurrence of the pressure induced phase transitions is apparently related with an increase of the cation disorder on the semiconductors investigated. In addition, the results allow the evaluation of the axial compressibility and the determination of the equation of state for each compound. The obtained results are compared with those previously reported for isomorphic digallium sellenides. Finally, a systematic study of the pressure-induced phase transition in twenty-three different sphalerite-related ABX 2 and AB 2 X 4 compounds indicates that the transition pressure increases as the ratio of the cationic radii and anionic radii of the compounds increases.

show abstract

Section: Iiid Size Criterionmentioning

confidence: 66%

High-pressure x-ray diffraction study on the structure and phase transitions of the defect-stannite ZnGa2Se4 and defect-chalcopyrite CdGa2S4

Errandonea

Kumar

Manjón

et al. 2008

Journal of Applied Physics

View full text Add to dashboard Cite

show abstract

“…Here, we show an alternative route to fabricate nanostructured thermoelectric materials by room-temperature high-pressure synthesis. Chalcopyrite and related compounds exhibit pressure-induced structural modification. − Structural modification of CuInTe 2 occurs at 3.6 GPa with transformation into the cation site disordered Cmcm (d- Cmcm ) structure . In this study, we discovered that the high-pressure phase of CuInTe 2 is not stable at ambient pressure.…”

Section: Introductionmentioning

confidence: 82%

“…11−13 Structural modification of CuInTe 2 occurs at 3.6 GPa with transformation into the cation site disordered Cmcm (d-Cmcm) structure. 11 In this study, we discovered that the high-pressure phase of CuInTe 2 is not stable at ambient pressure. Moreover, it cannot return to the pre-pressure-treated chalcopyrite phase after application of pressure of 5 GPa and subsequent pressure decrease to ambient pressure.…”

Section: ■ Introductionmentioning

confidence: 88%

Room-Temperature Pressure-Induced Nanostructural CuInTe₂ Thermoelectric Material with Low Thermal Conductivity

et al. 2014

View full text Add to dashboard Cite

A room-temperature high-pressure synthesis method is proposed as an alternative way to induce nanoscale structural disorder in the bulk thermoelectric CuInTe2 matrix. This disorder stems from the coexistence of distinct domains with different degrees and geometries of disorder at Cu/In cation sites. The lattice thermal conductivity of high-pressure-treated CuInTe2 is substantially less than that of hot-pressed CuInTe2. The Debye-Callaway model reveals that the reduced lattice thermal conductivity is mainly attributed to disorder at the Cu/In cation sites and stacking faults, which were probably created during formation of the high-pressure-treated phases. This study demonstrates that room-temperature high-pressure synthesis can produce a radical change in the crystal structure and physical properties of conventional thermoelectric materials.

show abstract

“…Besides, we can obtain the transition pressure, when the enthalpy value be equal for each of the B4 and B1 phases as follows:

H_{B 4} true(P_{t} true) = H_{B 1} true(P_{t} true) .

From Figure , it can be noted that the transition pressure ( P t ) from B4 to B1 occurs around 171.74 GPa. The experimental results indicate that the transition from B4 to B1 phase starts at 137 GPa and stops at 175 GPa . In previous studies, Cai et al have presented that the phase transition pressure from B4 to B1 occurs up to 200 GPa.…”

Section: Resultsmentioning

confidence: 80%

Structural Phase Transition, Electronic, and Mechanical Properties of Beryllium Oxide: Temperature and Pressure‐Induced Effects

Lakel

Elhamra

Almi

2017

Physica Status Solidi (b)

View full text Add to dashboard Cite

In this work, we focus on the study of the structural, electronic, and elastic properties of beryllium oxide under the influence of both temperature and pressure. Therein, we use the density functional theory (DFT) and quasi‐harmonic Debye model within the general gradient approximation (GGA). The results show that the enthalpy of BeO with wurtzite structure is lower than that with rocksalt structure at 171.74 GPa. Through our calculations, we deliberated the structural (a and c), electronic (band structure and partial density of states), and elastic properties (elastic constants, shear modulus, bulk modulus, and Young's modulus) at high temperature and under different pressures. In addition, we find that our results are in good agreement with previous experimental and theoretical results at P = 0 GPa and T = 0 K. Our results at high temperature and under different pressures can be considered as a new reference for further investigation.

show abstract

High‐pressure phase in the chalcopyrites CuGaTe₂ and CuInTe₂

Cited by 14 publications

References 6 publications

High-pressure x-ray diffraction study on the structure and phase transitions of the defect-stannite ZnGa2Se4 and defect-chalcopyrite CdGa2S4

High-pressure x-ray diffraction study on the structure and phase transitions of the defect-stannite ZnGa2Se4 and defect-chalcopyrite CdGa2S4

Room-Temperature Pressure-Induced Nanostructural CuInTe₂ Thermoelectric Material with Low Thermal Conductivity

Structural Phase Transition, Electronic, and Mechanical Properties of Beryllium Oxide: Temperature and Pressure‐Induced Effects

Contact Info

Product

Resources

About

High‐pressure phase in the chalcopyrites CuGaTe2 and CuInTe2

Cited by 14 publications

References 6 publications

High-pressure x-ray diffraction study on the structure and phase transitions of the defect-stannite ZnGa2Se4 and defect-chalcopyrite CdGa2S4

High-pressure x-ray diffraction study on the structure and phase transitions of the defect-stannite ZnGa2Se4 and defect-chalcopyrite CdGa2S4

Room-Temperature Pressure-Induced Nanostructural CuInTe2 Thermoelectric Material with Low Thermal Conductivity

Structural Phase Transition, Electronic, and Mechanical Properties of Beryllium Oxide: Temperature and Pressure‐Induced Effects

Contact Info

Product

Resources

About

High‐pressure phase in the chalcopyrites CuGaTe₂ and CuInTe₂

Room-Temperature Pressure-Induced Nanostructural CuInTe₂ Thermoelectric Material with Low Thermal Conductivity