Pressure dependence of the<i>Imma</i>phase of silicon

McMahon, M. I.; Nelmes, R. J.; Wright, N. G.; Allan, D. R.

doi:10.1103/physrevb.50.739

Cited by 194 publications

(156 citation statements)

References 29 publications

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“…Prior research performed by Vaidya et al 52) provided continuous data up to 4.5 GPa by a static method in a piston cylinder apparatus. Individual data (Duclos et al, 43) Yin et al, 50) Chang et al, 51) and McMahon et al 71) ) are also implemented in the assessment and the assessed curve of the pressure dependence of the molar volume for diamondSi using the Brosh EOS agrees well with these at room temperature as shown in Fig. 8 (a).…”

Section: Siliconsupporting

confidence: 65%

“…Apart from aluminum, for which the fcc structure remains unchanged up to 100 GPa at room temperature, a phase transformation from diamond Si to ¢Sn at around 12 GPa has been corroborated according to the literature (Duclos et al, 43) Yang et al, 44) Bundy, 45) Voronin et al, 46) Olijnyk et al, 48) Yin et al, 50) and McMahon et al 71) ). In this case, Fig.…”

Section: Siliconsupporting

confidence: 52%

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Assessment of Temperature and Pressure Dependence of Molar Volume and Phase Diagrams of Binary Al–Si Systems

Liu

Oikawa

2014

Mater. Trans.

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This article reports the thermodynamic assessment of the temperature and pressure dependence of the molar volume of AlSi binary systems, as well as PT unary and high pressure binary phase diagrams based on the CALPHAD methodology. The molar volumes of stable fcc Al, diamondSi, and liquid phases as a function of temperature were directly assessed from the data reported in the literature whereas that of metastable fccSi was determined by extrapolating composition dependent volume data for AlSi and CuSi fcc solid solutions through extrapolation to pure Si at atmospheric pressure. The Brosh equation of state, which incorporates the quasi-harmonic model, was implemented to avoid spurious estimations of negative heat capacity and thermal expansion at high pressure; it was subsequently used to predict the corresponding values for these properties. Additionally, the temperature and composition dependence of the molar volume as well as phase diagrams for the binary system at high pressure were calculated. Good agreement was reached between calculated results and experimentally estimated thermodynamic values.

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Section: Siliconsupporting

confidence: 65%

Section: Siliconsupporting

confidence: 52%

Assessment of Temperature and Pressure Dependence of Molar Volume and Phase Diagrams of Binary Al–Si Systems

Liu

Oikawa

2014

Mater. Trans.

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“…Experimentally, the ␤-Sn→Imma and Imma→sh transitions are first order, although the volume discontinuity is in both cases very small (McMahon et al, 1994a). The internal parameter u also changes discontinuously at the transition, from 0.25 (␤-Sn) to 0.3-0.4 (Imma) and then to 0.5 (sh).…”

Section: B ␤-Sn→imma→shmentioning

confidence: 98%

“…For example, accurate LDA-PWPP calculations give p e Ϸ7.5 GPa for Si Boyer et al, 1991;; cf. the experimental value of p t ϭ11.7 GPa (McMahon et al, 1994a). Calculations using the GGA give somewhat higher values of the coexistence pressures (10.2 GPa, according to Lee and Martin, 1997; see also Moll et al, 1995, andDal Corso et al, 1996).…”

Section: A Cd→␤-snmentioning

confidence: 99%

High-pressure phases of group-IV, III–V, and II–VI compounds

et al. 2003

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Advances in the accuracy and efficiency of first-principles electronic structure calculations have allowed detailed studies of the energetics of materials under high pressures. At the same time, improvements in the resolution of powder x-ray diffraction experiments and more sophisticated methods of data analysis have revealed the existence of many new and unexpected high-pressure phases. The most complete set of theoretical and experimental data obtained to date is for the group-IVA elements and the group-IIIA-VA and IIB-VIA compounds. Here the authors review the currently known structures and high-pressure behavior of these materials and the theoretical work that has been done on them. The capabilities of modern first-principles methods are illustrated by a full comparison with the experimental data. CONTENTS

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“…Upon further compression, silicon adopts an orthorhombic phase with an intermediate crystal structure [51] representing the missing link (Fig. 8) between a b-tin and a primitive hexagonal pattern of atoms with a 4 þ 4 coordination of silicon [52,53]. The hp phase is the stable arrangement of Si-V (CN 8) at pressures above 16 GPa.…”

Section: Silicon and Germanium (Tetrels)mentioning

confidence: 99%

Metallic high-pressure modifications of main group elements

Schwarz¹

2004

Zeitschrift Für Kristallographie - Crystalline Materials

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Abstract. The high-pressure structural chemistry of main group elements in the metallic state is reviewed under consideration of more recent determinations of atomic arrangements with to some extend unexpected complexity. Following the concept of the pressure-coordination rule, the number of nearest neighbours is employed as a guiding quantity to reveal systematic trends. Violations of the rule will be mainly discussed in the light of electronic ground state changes upon compression.

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Pressure dependence of theImmaphase of silicon

Cited by 194 publications

References 29 publications

Assessment of Temperature and Pressure Dependence of Molar Volume and Phase Diagrams of Binary Al–Si Systems

Assessment of Temperature and Pressure Dependence of Molar Volume and Phase Diagrams of Binary Al–Si Systems

High-pressure phases of group-IV, III–V, and II–VI compounds

Metallic high-pressure modifications of main group elements

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Pressure dependence of theImmaphase of silicon

Cited by 194 publications

References 29 publications

Assessment of Temperature and Pressure Dependence of Molar Volume and Phase Diagrams of Binary Al&ndash;Si Systems

Assessment of Temperature and Pressure Dependence of Molar Volume and Phase Diagrams of Binary Al&ndash;Si Systems

High-pressure phases of group-IV, III–V, and II–VI compounds

Metallic high-pressure modifications of main group elements

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Product

Resources

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Assessment of Temperature and Pressure Dependence of Molar Volume and Phase Diagrams of Binary Al–Si Systems

Assessment of Temperature and Pressure Dependence of Molar Volume and Phase Diagrams of Binary Al–Si Systems