Abstract
The volume of liquid metals was theoretically calculated based on the hard sphere model immersed in the uniform background potential of electron gas. The electron-ion interaction was approximated by a simple empty core model pseudopotential. The effect of entropy was taken into account for the evaluation of the volume of liquids. The calculated atomic volume is in good agreement with the experimental volume for liquid metals investigated even for liquid group 14 elements.
| Original language | English |
|---|---|
| Pages (from-to) | 337-342 |
| Number of pages | 6 |
| Journal | Chemical Physics Letters |
| Volume | 363 |
| Issue number | 3-4 |
| DOIs | |
| Publication status | Published - 2002 Sep 9 |
| Externally published | Yes |
Fingerprint
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Spectroscopy
- Atomic and Molecular Physics, and Optics
Cite this
Theoretical prediction of atomic volume for liquid metals based on the hard sphere model combined with NFE theory. / Mizuno, A.; Masaki, Tadahiko; Itami, T.
In: Chemical Physics Letters, Vol. 363, No. 3-4, 09.09.2002, p. 337-342.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Theoretical prediction of atomic volume for liquid metals based on the hard sphere model combined with NFE theory
AU - Mizuno, A.
AU - Masaki, Tadahiko
AU - Itami, T.
PY - 2002/9/9
Y1 - 2002/9/9
N2 - The volume of liquid metals was theoretically calculated based on the hard sphere model immersed in the uniform background potential of electron gas. The electron-ion interaction was approximated by a simple empty core model pseudopotential. The effect of entropy was taken into account for the evaluation of the volume of liquids. The calculated atomic volume is in good agreement with the experimental volume for liquid metals investigated even for liquid group 14 elements.
AB - The volume of liquid metals was theoretically calculated based on the hard sphere model immersed in the uniform background potential of electron gas. The electron-ion interaction was approximated by a simple empty core model pseudopotential. The effect of entropy was taken into account for the evaluation of the volume of liquids. The calculated atomic volume is in good agreement with the experimental volume for liquid metals investigated even for liquid group 14 elements.
UR - http://www.scopus.com/inward/record.url?scp=0037048340&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0037048340&partnerID=8YFLogxK
U2 - 10.1016/S0009-2614(02)01210-1
DO - 10.1016/S0009-2614(02)01210-1
M3 - Article
AN - SCOPUS:0037048340
VL - 363
SP - 337
EP - 342
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
IS - 3-4
ER -