High-pressure phase transformation of platinum sulfide

Collins, R.; Kaner, Richard B.; Russo, Paul S.; Wold, A.; Avignant, D.

doi:10.1021/ic50193a040

Cited by 28 publications

(16 citation statements)

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“…This is also apparent in the experimental lattice constants ͑from Ref. 13, in Å͒ for the 2 ϫ 2 ϫ 1 supercell of the PtS structure ͑6.94, 6.94, 6.11͒ and the PdS structure ͑6.41, 6.41, 6.59͒. These clearly indicate a compression in the ͓100͔ and ͓010͔ directions, but a dilatation in the ͓001͔ direction.…”

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confidence: 55%

“…Despite the possible technological interests, there has been little work on the structural aspects of PtS. We are not aware of any study of its surface structure and even its bulk phases have received little attention, with three experimental studies ͑two structural, 11,12 one concerned with highpressure behavior 13 ͒ and one computer simulation. 14 In this Brief Report, we consider the structure, dynamics, and elastic properties of PtS as well as the structural changes under hydrostatic pressures up to 70 GPa.…”

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confidence: 99%

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Negative compressibility in platinum sulfide using density-functional theory

et al. 2010

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The structural and dynamic properties of the mineral Cooperite ͑PtS͒ are investigated using densityfunctional theory. The results show that a competition with the less symmetric but more compact PdS structure leads to a phase transition when the pressure is increased. However, before the phase transition, PtS displays a rare anomalous elastic behavior by expanding along its long axis under hydrostatic pressure. We report the elastic constants of PtS and interpret this negative linear compressibility in the context of a displacive phase transition. We also show that the real structure of PtS is less symmetric than originally determined by experiment.

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confidence: 55%

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confidence: 99%

Negative compressibility in platinum sulfide using density-functional theory

et al. 2010

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“…Our second example is the transformation of PtS from its ambient-pressure structure (tetragonal P4 2 /nmm) to a highpressure phase with the so-called PdS structure (tetragonal P4 2 m) at pressures of between 2.5 and 3.0 GPa. 66 From an experimental viewpoint, very little is understood regarding this transition. What is known is that the high-pressure phase is metastable under ambient conditions and is expanded by ∼8% along the tetragonal axis and compressed ∼9% along the two perpendicular axes relative to the thermodynamic phase.…”

Section: Nlc From Ferroelastic-like Phase Transitionsmentioning

confidence: 99%

“…What is known is that the high-pressure phase is metastable under ambient conditions and is expanded by ∼8% along the tetragonal axis and compressed ∼9% along the two perpendicular axes relative to the thermodynamic phase. 66 First principles calculations suggest that the deformation mechanism of the ambient phase under compression Fig. 7 (a) The first-order isosymmetric transition in sillimanite involves a discontinuous increase in Si coordination number from four to five (SiO n polyhedra shown in blue).…”

Section: Nlc From Ferroelastic-like Phase Transitionsmentioning

confidence: 99%

Negative linear compressibility

Cairns

Goodwin

2015

Phys. Chem. Chem. Phys.

245

341

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While all materials reduce their intrinsic volume under hydrostatic (uniform) compression, a select few actually expand along one or more directions during this process of densification. As rare as it is counterintuitive, such "negative compressibility" behaviour has application in the design of pressure sensors, artificial muscles and actuators. The recent discovery of surprisingly strong and persistent negative compressibility effects in a variety of new families of materials has ignited the field. Here we review the phenomenology of negative compressibility in this context of materials diversity, placing particular emphasis on the common structural motifs that recur amongst known examples. Our goal is to present a mechanistic understanding of negative compressibility that will help inform a clear strategy for future materials design.

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“…10–12 Platinum sulfide has shown extraordinary mechanical, 13,14 optical, electronic, magnetic 15 and phase transition properties. 16 A few reports on 2D PtS exist including electronic structure calculations, 17,18 spectral analysis 19 and nonlinear optical device applications. 20 Besides, 2D PtS has been recently integrated into van der Waals heterostructures 21 for enhancing the device performances.…”

Section: Introductionmentioning

confidence: 99%