Intrinsic anharmonicity in equations of state and thermodynamics of solids
Тип публикации: Journal Article
Дата публикации: 2004-02-16
scimago Q2
wos Q3
БС2
SJR: 0.624
CiteScore: 4.6
Impact factor: 2.6
ISSN: 09538984, 1361648X
Condensed Matter Physics
General Materials Science
Краткое описание
Usin gt hermodynamic perturbation theory, we derive a simple formalism for treating intrinsic anharmonic effects in solids. In this formalism, the central quantity is the intrinsic anharmonicity parameter a ,w hichcan be derived from vibrational spectroscopy or computer simulation. Advantages of our approach include (1) correct low- and high-temperature behaviour, (2) analyticity of all the thermodynamic functions and (3) the possibility of systematic incorporation of higher-order anharmonic effects. This approach can be used in studying equations of state and thermodynamics of solids in a wide temperature range. Ad etailed comparison with other approaches is given.
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Oganov A. R., Dorogokupets P. I. Intrinsic anharmonicity in equations of state and thermodynamics of solids // Journal of Physics Condensed Matter. 2004. Vol. 16. No. 8. pp. 1351-1360.
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Oganov A. R., Dorogokupets P. I. Intrinsic anharmonicity in equations of state and thermodynamics of solids // Journal of Physics Condensed Matter. 2004. Vol. 16. No. 8. pp. 1351-1360.
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TY - JOUR
DO - 10.1088/0953-8984/16/8/018
UR - https://doi.org/10.1088/0953-8984/16/8/018
TI - Intrinsic anharmonicity in equations of state and thermodynamics of solids
T2 - Journal of Physics Condensed Matter
AU - Oganov, A. R.
AU - Dorogokupets, Peter I.
PY - 2004
DA - 2004/02/16
PB - IOP Publishing
SP - 1351-1360
IS - 8
VL - 16
SN - 0953-8984
SN - 1361-648X
ER -
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@article{2004_Oganov,
author = {A. R. Oganov and Peter I. Dorogokupets},
title = {Intrinsic anharmonicity in equations of state and thermodynamics of solids},
journal = {Journal of Physics Condensed Matter},
year = {2004},
volume = {16},
publisher = {IOP Publishing},
month = {feb},
url = {https://doi.org/10.1088/0953-8984/16/8/018},
number = {8},
pages = {1351--1360},
doi = {10.1088/0953-8984/16/8/018}
}
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MLA
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Oganov, Artem R., et al. “Intrinsic anharmonicity in equations of state and thermodynamics of solids.” Journal of Physics Condensed Matter, vol. 16, no. 8, Feb. 2004, pp. 1351-1360. https://doi.org/10.1088/0953-8984/16/8/018.
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