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High Pressure Research
An International Journal
Volume 24, 2004 - Issue 1
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Original Articles

Diamond under pressure: Ab-initio calculations of the equation of state and optical phonon frequency revisited

K. Kunc Max-Planck-Institut für Festkörperforschung, Heisenbergstrasse 1, D-70569, Stuttgart, Germany; Laboratoire d'Optique des Solides, CNRS and Université Pierre and Marie Curie, T13-C80, 4 pl. Jussieu, F-75252, Paris, Cedex 05, FranceCorrespondence[email protected]
,
I. Loa Max-Planck-Institut für Festkörperforschung, Heisenbergstrasse 1, D-70569, Stuttgart, Germany
&
K. Syassen Max-Planck-Institut für Festkörperforschung, Heisenbergstrasse 1, D-70569, Stuttgart, Germany
Pages 101-110 | Accepted 25 Aug 2003, Published online: 08 Jun 2010

Citations (16)

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Guoyin Shen, Jesse S. Smith, Curtis Kenney-Benson & Stefan Klotz. (2021) Calibration of ruby (Cr3+:Al2O3) and Sm2+:SrFCl luminescence lines from the melting of mercury: constraints on the initial slopes. High Pressure Research 41:2, pages 175-183.
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Guoyin Shen, Yanbin Wang, Agnes Dewaele, Christine Wu, Dayne E. Fratanduono, Jon Eggert, Stefan Klotz, Kamil F. Dziubek, Paul Loubeyre, Oleg V. Fat’yanov, Paul D. Asimow, Tsutomu Mashimo & Renata M. M. Wentzcovitch. (2020) Toward an international practical pressure scale: A proposal for an IPPS ruby gauge (IPPS-Ruby2020). High Pressure Research 40:3, pages 299-314.
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K. Syassen. (2008) Ruby under pressure. High Pressure Research 28:2, pages 75-126.
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Articles from other publishers (13)

V. V. Prut. (2022) Ruby High Pressure Scale. Russian Physics Journal 65:7, pages 1172-1178.
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Lei Liu & Yan Bi. (2016) How far away are accurate equations of state determinations? Some issues on pressure scales and non-hydrostaticity in diamond anvil cells. Matter and Radiation at Extremes 1:4, pages 224-236.
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Lei Liu, Yan Bi & Ji-An Xu. (2013) Ruby fluorescence pressure scale: Revisited. Chinese Physics B 22:5, pages 056201.
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S L Qiu & P M Marcus. (2011) Structure and stability under pressure of cubic and hexagonal diamond crystals of C, BN and Si from first principles. Journal of Physics: Condensed Matter 23:21, pages 215501.
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S Ono. (2010) The equation of state of B2-type NaCl. Journal of Physics: Conference Series 215, pages 012196.
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Shigeaki ONO. (2010) Multiple Approaches from Theoretical Simulations and High-Pressure Experiments to Determine Accurate Equation of State for Materials. The Review of High Pressure Science and Technology 20:3, pages 244-251.
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Shigeaki Ono. (2009) First-Principles Molecular Dynamics Calculations of the Equation of State for Tantalum. International Journal of Molecular Sciences 10:10, pages 4342-4351.
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Graziella Goglio, Denis Foy, Stanislav Pechev, Jérôme Majimel, Gérard Demazeau, Nicolas Guignot & Denis Andrault. (2009) Evidence for a low-compressibility carbon nitride polymorph elaborated at ambient pressure and mild temperature. Diamond and Related Materials 18:4, pages 627-631.
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John S. Tse & Wilfried B. Holzapfel. (2008) Equation of state for diamond in wide ranges of pressure and temperature. Journal of Applied Physics 104:4.
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Zhongqing Wu, Renata M. Wentzcovitch, Koichiro Umemoto, Baosheng Li, Kei Hirose & Jin-Cheng Zheng. (2008) Pressure-volume-temperature relations in MgO: An ultrahigh pressure-temperature scale for planetary sciences applications. Journal of Geophysical Research 113:B6.
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Yingwei FeiAngele RicolleauMark FrankKenji MibeGuoyin Shen & Vitali Prakapenka. (2007) Toward an internally consistent pressure scale. Proceedings of the National Academy of Sciences 104:22, pages 9182-9186.
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Peter I. Dorogokupets & Artem R. Oganov. (2007) Ruby, metals, and as alternative pressure scales: A semiempirical description of shock-wave, ultrasonic, x-ray, and thermochemical data at high temperatures and pressures . Physical Review B 75:2.
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P. I. Dorogokupets & A. R. Oganov. (2006) Equations of state of Al, Au, Cu, Pt, Ta, and W and revised ruby pressure scale. Doklady Earth Sciences 410:1, pages 1091-1095.
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