Pressure-induced phase transition in SiC

Yoshida, Minoru; Onodera, Akifumi; Ueno, Masaki; Takemura, Keiji; Shimomura, Osamu

doi:10.1103/physrevb.48.10587

Cited by 220 publications

(223 citation statements)

References 25 publications

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“…The mechanical properties of SiC from B3 to B1 under pressure are investigated by the first-principles plane-wave pseudopotential density functional theory method [14]. The result on the high pressure elastic constant illustrates that the ZB structure SiC is unstable when the applied pressure is larger than 126.6 GPa, consistent with the earlier experimental data [3,4] and the molecular dynamics simulation results [13].…”

Section: Introductionsupporting

confidence: 75%

“…In SiC, a crystallographic transition from B3 to B1 occurs in certain pressure range. The phase transition pressure t P thus obtained is listed in Table 1 and compared with available experimental data [3,4] and theoretical results [516]. The transition pressure for SiC is consistent with the experimental and other reported values.…”

supporting

confidence: 74%

“…Energy-dispersive X-ray diffraction with a diamond anvil cell shows a structural transition from zinc blende (ZB, B3) to rock salt (RS, B1) at 100 GPa with a volume collapse of about 20.3% [3]. Transition is reversible and zinc blende phase is recovered below 35 GPa upon decompression.…”

Section: Introductionmentioning

confidence: 92%

“…The cubic (3C) structure has the lowest energy, followed by the wurtzite (2H) and rock salt (RS) structures as noted by the experimental observations [3,4]. The cubic phase of SiC with zinc blende and wurtzite structures with four-fold coordination transforms into six-fold coordinated ionic RS structure at 105 and 95 GPa, respectively.…”

Section: Introductionmentioning

confidence: 95%

“…Previous high pressure experimental [3,4] and theoretical [5][6][7][8][9][10][11][12][13][14][15] research of SiC infers cubic (3C), hexagonal (6H), and rhombohedral (15R) structures. Energy-dispersive X-ray diffraction with a diamond anvil cell shows a structural transition from zinc blende (ZB, B3) to rock salt (RS, B1) at 100 GPa with a volume collapse of about 20.3% [3].…”

Section: Introductionmentioning

confidence: 99%

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Mechanically induced stiffening, thermally driven softening, and brittle nature of SiC

et al. 2016

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An effective interionic potential calculation with long range Coulomb, charge transfer interaction, covalency effect, short range overlap repulsion extended, van der Waals interaction, and zero point energy effect is implemented to investigate the pressure dependent structural phase transition (ZnS-type (B3) to NaCl-type (B1) structure), and mechanical, elastic, and thermodynamic properties of silicon carbide (SiC). Both charge transfer interaction and covalency effect are important in revealing the pressure induced structural stability, Cauchy discrepancy, anisotropy factor, melting temperature, shear modulus, Young's modulus, and Grüneisen parameter. We also present the results for the temperature dependent behaviors of normalized volume, hardness, heat capacity, and thermal expansion coefficient. SiC is mechanically stiffened and thermally softened as inferred from pressure (temperature) dependent elastic constant's behavior. The Pugh's ratio, the Poisson's ratio , and the Cauchy's pressure C 12 -C 44 for SiC ceramic confirm its brittle nature.

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Section: Introductionsupporting

confidence: 75%

supporting

confidence: 74%

Section: Introductionmentioning

confidence: 92%

Section: Introductionmentioning

confidence: 95%

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

Mechanically induced stiffening, thermally driven softening, and brittle nature of SiC

et al. 2016

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Raman microspectroscopy of nanocrystalline and amorphous phases in hardness indentations

Kailer¹,

Nickel²,

Gogotsi³

1999

J. Raman Spectrosc.

158

131

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During hardness indentation, materials are subjected to highly localized stresses. These stresses not only cause crack formation and plastic deformation by dislocation gliding, but a complete change of the crystal structure and formation of amorphous phases or high-pressure polymorphs can occur in the zone of maximum contact stresses. Such contact-induced phase transformations were observed in hard and brittle materials including semiconductors (Si, Ge, GaAs and InSb) and common ceramic materials such as SiC and SiO 2 (a-quartz and silica glass). A prime tool for their investigation is the Raman microspectroscopy of hardness indentations. In Si and Ge, there is an initial transformation to metallic high-pressure phases upon hardness indentation and a subsequent formation of crystalline, nanocrystalline, or amorphous phases depending on the conditions of the hardness test, in particular the unloading rate. A phase transformation occurs also in InSb, whereas the results for GaAs do not give sufficient evidence for phase transformations. Indentationinduced amorphization has been observed in SiC and quartz. Even diamond has been shown to undergo amorphization and phase transformation under nonhydrostatic stress conditions imposed by indentation tests.Plate 1. Light micrograph of (a) a Vickers impression in diamond, (b) typical Raman spectrum from the central part of the impression and Raman intensity images showing (c) distribution of diamond and (d) graphite. Colour change from dark blue to yellow indicates the increase of the Raman band intensity from zero to the maximum. (Excitation wavelength: 632.8nm)

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Thermal expansion of SiC at high pressure‐temperature and implications for thermal convection in the deep interiors of carbide exoplanets

et al. 2017

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Recent astrophysical observations have shown that some stars have sufficiently high carbon‐to‐oxygen ratios and may host planets composed mainly of carbides instead of silicates and oxides. From the low thermal expansion of SiC at 1 bar, it can be inferred that the buoyancy force of thermal anomalies is much lower in the carbide planets than in the silicate planets. However, numerous studies have shown that high pressure in planetary interiors can fundamentally change the physical properties of materials. We have measured the pressure‐volume‐temperature relations of two SiC polymorphs (3C and 6H) at pressures and temperatures up to 80 GPa and 1900 K and 65 GPa and 1920 K, respectively, in the laser‐heated diamond anvil cell combined with synchrotron X‐ray diffraction. We found no evidence of dissociations of these phases up to our maximum pressure condition, supporting the stability of SiC to 1900 km depth in Earth‐size Si‐rich carbide planets. Following the Mie‐Grüneisen approach, we fit our data to the Birch‐Murnaghan or the Vinet equations of state combined with the Debye approach. We found that the pressure‐induced change in the thermal expansion parameter of SiC is much smaller than that of Mg silicate perovskite (bridgmanite). Our new measurements suggest that the thermal buoyancy force may be stronger in the deep interiors of Si‐rich carbide exoplanets than in the “Earth‐like” silicate planets.

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Pressure-induced phase transition in SiC

Cited by 220 publications

References 25 publications

Mechanically induced stiffening, thermally driven softening, and brittle nature of SiC

Mechanically induced stiffening, thermally driven softening, and brittle nature of SiC

Raman microspectroscopy of nanocrystalline and amorphous phases in hardness indentations

Thermal expansion of SiC at high pressure‐temperature and implications for thermal convection in the deep interiors of carbide exoplanets

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