Structural phase transitions in Si and Ge under pressures up to 50 GPa

Olijnyk, H.; Sikka, S. K.; Holzapfel, W. B.

doi:10.1016/0375-9601(84)90219-6

Cited by 388 publications

(184 citation statements)

References 23 publications

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“…The hydrostatic transition pressures (call P hydro hereafter) are 11.4 GPa and 13.7 GPa for the diamond-to-βSn and βSn-to-sh transitions respectively. These are consistent with previous studies [13,14] . In the present studies, we did not include a phase of space group Imma which have been identified, both experimentally [15] and theoretically [14,16] , to be stable between the βSn and sh phases.…”

Section: Results At Hydrostatic Conditionsupporting

confidence: 94%

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Uniaxial phase transition in Si:Ab initiocalculations

Cheng

2003

Phys. Rev. B

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Based on a previously proposed thermodynamic analysis [1] , we study the relative stabilities of five Si phases under unaxial compression using ab initio methods. The five phases are diamond, βSn, simple-hexagonal (sh), simple-cubic, and hcp structures.The possible phase-transition patterns were investigated by considering the phase transitions between any two chosen phases of the five phases. By analyzing the different contributions to the relative phase stability, we identified the most important factors in reducing the phase-transition pressures at uniaxial compression. We also show that it is possible to have phase transitions occur only when the phases are under uniaxial compression, in spite of no phase transition when under hydrostatic compression.Taking all five phases into consideration, the phase diagram at uniaxial compression was constructed for pressures up to 20 GPa. The stable phases were found to be diamond, βSn and sh structures, i.e. the same as those when under hydrostatic condition.According to the phase diagram, direct phase transition from the diamond to the sh phase is possible if the applied uniaxial pressures, on increasing, satisfy the condition of P x > P z . Similarly, the sh-to-βSn transition on increasing pressures is also possible if the applied uniaxial pressures are varied from the condition of P x > P z , on which the phase of sh is stable, to that of P x < P z , on which the βSn is stable.

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Section: Results At Hydrostatic Conditionsupporting

confidence: 94%

“…2. They are in good agreement with the experimental and previous theoretical results [13,14] . Within the pressure ranges we considered in this study, i.e.…”

Section: Results At Hydrostatic Conditionsupporting

confidence: 92%

Uniaxial phase transition in Si:Ab initiocalculations

Cheng

2003

Phys. Rev. B

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“…Changes in near edge region are observed above 11 GPa because of a structural transition from a cubic diamond phase to a tetragonal β-Sn phase [8][9][10] . The large energy decrease (∼ 1 eV) around 11 GPa in the pressure evolution of the absorption edge in Fig.2 (b), is consistent with the semiconductor to metal transition occurring simultaneously with the structural transformation [8][9][10] . The EXAFS signal χ(k), was obtained by subtracting the embedded-atom absorption background from the measured absorption coefficient and normalizing by the edge step.…”

Section: Experimental Results and Quantitative Data Analysismentioning

confidence: 99%

“…Crystalline Ge was chosen as a reference system since the structural transition observed at approximately 11 GPa has been widely investigated [8][9][10] . We demonstrate that the use of ND addresses the problem caused by diamond glitches.…”

Section: Introductionmentioning

confidence: 99%

High-pressure EXAFS measurements of crystalline Ge using nanocrystalline diamond anvils

et al. 2011

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High-pressure extended x-ray absorption fine structure (EXAFS) measurements on crystalline Ge demonstrate that the use of nano-crystalline diamond anvils can solve the glitch problem from single crystal diamond anvils and improve the quality of the data. Our results indicate that using nanocrystalline diamond anvils for high pressure EXAFS research can provide a large enough energy range for structural study up to four coordination shell distances. In particular, we obtained the pressure evolution of mean square relative displacement for the first neighbor shells of crystalline Ge and observed a different correlation effects for different coordination shells. The use of nanocrystalline diamond anvils will provide a breakthrough for high pressure EXAFS study, especially for amorphous compounds in which only limited structural information can be obtained by diffraction techniques.

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“…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: Siliconmentioning

confidence: 59%

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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Structural phase transitions in Si and Ge under pressures up to 50 GPa

Cited by 388 publications

References 23 publications

Uniaxial phase transition in Si:Ab initiocalculations

Uniaxial phase transition in Si:Ab initiocalculations

High-pressure EXAFS measurements of crystalline Ge using nanocrystalline diamond anvils

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

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Structural phase transitions in Si and Ge under pressures up to 50 GPa

Cited by 388 publications

References 23 publications

Uniaxial phase transition in Si:Ab initiocalculations

Uniaxial phase transition in Si:Ab initiocalculations

High-pressure EXAFS measurements of crystalline Ge using nanocrystalline diamond anvils

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

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