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, Surendra K. Saxena

Результат исследований: Вклад в журналСтатьярецензирование

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Аннотация

The longitudinal acoustic and optical phonon branches along the Γ-X 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.

Язык оригиналаАнглийский
Номер статьи035507
ЖурналPhysical Review Letters
Том96
Номер выпуска3
DOI
СостояниеОпубликовано - 27 янв. 2006
Опубликовано для внешнего пользованияДа

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