Crystal structure of a new high pressure polymorph of GaS

d’Amour, H.; Holzapfel, W. B.; Polian, A.; Chévy, A.

doi:10.1016/0038-1098(82)90289-7

Cited by 40 publications

(17 citation statements)

References 6 publications

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“…Between 2.4 and 2.9 GPa a discontinuity (0.8%) in the volume dependence marks the phase transition reported in Ref. [1], which we then situate at 2 7 0 3…”

Section: Resultsmentioning

confidence: 97%

“…The volume jump is due to a sudden reduction of the c lattice parameter (1.5%, see Table 1). The phase transition involves relative shifts of stacking planes, giving rise to subtle structural changes [1]. The layered character is maintained, as well as the S-Ga-Ga-S stacking sequence inside the layers.…”

Section: Resultsmentioning

confidence: 99%

“…1 the GaS equation of state, represented by circles. Previous X-ray diffraction data [1] is represented by crosses. Between 2.4 and 2.9 GPa a discontinuity (0.8%) in the volume dependence marks the phase transition reported in Ref.…”

Section: Resultsmentioning

confidence: 99%

“…Single crystal β-GaS has been previously studied with a laboratory diffractometer up to 6.5 GPa [1]. A phase transition to a new layered phase (GaS-II) was established between 0.3 and 3 GPa.…”

Section: Introductionmentioning

confidence: 99%

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GaS and InSe equations of state from single crystal diffraction

Pellicer‐Porres

Machado-Charry

Segura

et al. 2006

Physica Status Solidi (b)

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We have performed single crystal angle dispersive X-ray diffraction at high pressure in order to investigate the GaS and InSe equations of state. We situate the transition from β-GaS to GaS-II at 2 7 0 3. ± . GPa. In the InSe experiment we locate the beginning of the phase transition at 7.6 ± 0.6 GPa. The equations of state of β-GaS ( 0 43 27 0 06V = . ± . Å 3 , 37 2 GPaB = ± , 5 2B = .¢ ), GaS-II ( 0 42 4 0 2V = . ± . Å 3 , 50 3 GPaB = ± and 4 3 0 3B = . ± .¢ ) and γ-InSe ( 0 58 4 0 2V = . ± . Å 3 , 24 3 GPaB = ± and 8 6 0 8B = . ± .¢ ) are discussed and compared with the results of an ab-initio calculation

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“…Between 2.4 and 2.9 GPa a discontinuity (0.8%) in the volume dependence marks the phase transition reported in Ref. [1], which we then situate at 2 7 0 3…”

Section: Resultsmentioning

confidence: 97%

Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

GaS and InSe equations of state from single crystal diffraction

Pellicer‐Porres

Machado-Charry

Segura

et al. 2006

Physica Status Solidi (b)

Self Cite

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“…To account for the weak interaction, the DFT-D2 approach was utilized [23], yielding the optimized lattice constants of bulk β-GaS of a = 3.584 Å and c = 15.554 Å, which are in excellent agreement with the experimental values (a = 3.585 Å and c = 15.530 Å) [24]. The calculated bond lengths of Ga-Ga and Ga-S are 2.439 and 2.346 Å, respectively, which also agree remarkably well with the experimental results [24]. The optimized structural parameters of bulk β-GaS are listed in Table 1.…”

Section: The Geometrical Structures Of 2d β-Gasmentioning

confidence: 90%

Geometrical structures, and electronic and transport properties of a novel two-dimensional β-GaS transparent conductor

Chen

Huang

et al. 2015

Nano Res.

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Two-dimensional (2D) materials are highly promising for flexible electronics, and graphene is the only well-studied transparent conductor. Herein, density functional theory has been used to explore a new transparent conducting material via adsorption of H on a 2D β-GaS sheet. This adsorption results in geometrical changes to the local structures around the H. The calculated electronic structures reveal metallic characteristics of the 2D β-GaS material upon H adsorption and a large optical band gap of 2.72 eV with a significant Burstein-Moss shift of 0.67 eV. The simulated electrical resistivity is as low as 10 -4 Ω·cm, comparable to the benchmark for ITO thin films.

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Specific features of the electronic structure of III–VI layered semiconductors: recent results on structural and optical measurements under pressure and electronic structure calculations

Segura

Manjón

Errandonea

et al. 2003

Physica Status Solidi (b)

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In this paper we review some recent results on the electronic structure of III − VI layered semiconductors and its dependence under pressure, stressing the specific features that differentiate their behaviour from that of tetrahedrally coordinated semiconductors. We will focus on several unexpected results that have led to changes in the image that was currently accepted a few years ago. Intralayer bond angles change under pressure and the layer "thickness" remains virtually constant or increases. As a consequence, models based in intra-and inter-layer deformation potentials fail in explaining the low pressure nonlinearity of the band gap. Numerical-atomic-orbital/density-functional-theory electronic structure calculations allow for an interpretation of the evolution of the absorption edge under pressure. In particular, they show how the structure of the non-degenerated valence band maximum in InSe becomes more complex under pressure leading to a non-conventional direct-to-indirect crossover. The valence band maximum in InSe above 4 GPa exhibits a quite singular feature: a "ring-shaped" constant energy surface and, consequently, a density of states depending on energy as in 2D electronic systems.

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Crystal structure of a new high pressure polymorph of GaS

Cited by 40 publications

References 6 publications

GaS and InSe equations of state from single crystal diffraction

GaS and InSe equations of state from single crystal diffraction

Geometrical structures, and electronic and transport properties of a novel two-dimensional β-GaS transparent conductor

Specific features of the electronic structure of III–VI layered semiconductors: recent results on structural and optical measurements under pressure and electronic structure calculations

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