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Lattice Dynamics of MgO at High Pressure: Theory and Experiment

Subrata Ghose, Michael Krisch, Artem R. Oganov, Alexandre Beraud, Alexey Bosak, Revansidha Gulve, Raghunandan Seelaboyina, Hexiong Yang, and Surendra K. Saxena
Phys. Rev. Lett. 96, 035507 – Published 26 January 2006

Abstract

The longitudinal acoustic and optical phonon branches along the ΓX direction of MgO at 35 GPa have been determined by inelastic x-ray scattering using synchrotron radiation and a diamond-anvil cell. The experimentally observed phonon branches are in remarkable agreement with ab initio lattice dynamics results. The derived thermodynamic properties, such as the specific heat CV and the entropy S are in very good accord with values obtained from a thermodynamically assessed data set involving measured data on molar volume, heat capacity at constant pressure, bulk modulus and thermal expansion.

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  • Received 27 February 2005

DOI:https://doi.org/10.1103/PhysRevLett.96.035507

©2006 American Physical Society

Authors & Affiliations

Subrata Ghose1, Michael Krisch2, Artem R. Oganov3, Alexandre Beraud2, Alexey Bosak2, Revansidha Gulve4, Raghunandan Seelaboyina4, Hexiong Yang4, and Surendra K. Saxena4

  • 1Mineral Physics Group, Box 351310, University of Washington, Seattle, Washington 98195, USA
  • 2European Synchrotron Radiation Facility, Boîte Postale 220, F-38043 Grenoble Cedex, France
  • 3Laboratory of Crystallography, Department of Materials, ETH Zurich, CH-8093 Zurich, Switzerland
  • 4Center for Study of Matter at Extreme Conditions, Florida International University Park, VH-140, Miami, Florida 33199, USA

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Issue

Vol. 96, Iss. 3 — 27 January 2006

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