Intrinsic anharmonicity in equations of state and thermodynamics of solids
A. R. Oganov
1
,
Peter I. Dorogokupets
2
Publication type: Journal Article
Publication date: 2004-02-16
scimago Q2
wos Q3
SJR: 0.624
CiteScore: 4.6
Impact factor: 2.6
ISSN: 09538984, 1361648X
Condensed Matter Physics
General Materials Science
Abstract
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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63
Total citations:
63
Citations from 2024:
6
(9.52%)
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GOST
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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.
Cite this
RIS
Copy
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 -
Cite this
BibTex (up to 50 authors)
Copy
@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}
}
Cite this
MLA
Copy
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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