Modified mean-field potential approach to thermodynamic properties of a low-symmetry crystal: Beryllium as a prototype

2007 ◽  
Vol 75 (24) ◽  
Author(s):  
Hai-Feng Song ◽  
Hai-Feng Liu
Keyword(s):  
Thermodynamic Properties ◽  
Mean Field ◽  
Field Potential ◽  
Potential Approach ◽  
Mean Field Potential ◽  
Low Symmetry

THERMODYNAMIC PROPERTIES OF 4f- AND 5f-SHELL METALS AT FINITE TEMPERATURES: MEAN-FIELD POTENTIAL APPROACH IN CONJUNCTION WITH LOCAL PSEUDOPOTENTIAL

2005 ◽  
Vol 19 (06) ◽  
pp. 999-1016 ◽  
Author(s):  
N. K. BHATT ◽  
P. R. VYAS ◽  
A. R. JANI ◽  
V. B. GOHEL
Keyword(s):  
Thermodynamic Properties ◽  
Mean Field ◽  
Field Potential ◽  
Static Compression ◽  
Potential Approach ◽  
Specific Heats ◽  
Shock Hugoniot ◽  
Volume Relation ◽  
Experimental Findings ◽  
Mean Field Potential

The thermodynamic properties of 4f- and 5f-shell metals have been studied at high temperatures using mean-field potential approach. The MFP seen by the lattice ion is constructed in terms of the total energy-volume relation using local pseudopotentials due to Pandya et al. [Physica B 307, 138 (2001)]. We have calculated static compression, shock-wave compression, volume thermal expansion, isothermal and adiabatic bulk moduli ( B T and B S ), specific heats ( C V and C P ), thermodynamic Grüneisen parameter (γ th ), anharmonic contribution to the specific heat and temperature along shock Hugoniot for 4f (γ- Ce )- and 5f (fcc-Th) -shell metals. The results are well compared with the other theoretical and experimental findings, which ensure the use of pseudopotentials for studying thermodynamic properties at higher temperatures in case of lanthanides and actinides.

Reduction of shock-wave data with mean-field potential approach

2002 ◽  
Vol 92 (11) ◽  
pp. 6616-6620 ◽  
Author(s):  
Yi Wang ◽  
Rajeev Ahuja ◽  
Börje Johansson
Keyword(s):  
Shock Wave ◽  
Mean Field ◽  
Field Potential ◽  
Potential Approach ◽  
Wave Data ◽  
Mean Field Potential

Mean-field potential approach for thermodynamic properties of lanthanide: Europium as a prototype

2018 ◽  
Vol 32 (06) ◽  
pp. 1850065 ◽  
Author(s):  
Priyank Kumar ◽  
N. K. Bhatt ◽  
P. R. Vyas ◽  
V. B. Gohel
Keyword(s):  
Thermodynamic Properties ◽  
Mean Field ◽  
Great Influence ◽  
Field Potential ◽  
Extreme Environment ◽  
Condensed State ◽  
Present Scheme ◽  
Cold Energy ◽  
Divalent Lanthanide ◽  
Mean Field Potential

In the present paper, a simple conjunction scheme [mean-field potential (MFP) + local pseudopotential] is used to study the thermodynamic properties of divalent lanthanide europium (Eu) at extreme environment. Present study has been carried out due to the fact that divalent nature of Eu arises because of stable half-filled 4f-shell at ambient condition, which has great influence on the thermodynamic properties at extreme environment. Due to such electronic structure, it is different from remaining lanthanides having incomplete 4f-shell. The presently computed results of thermodynamic properties of Eu are in good agreement with the experimental results. Looking to such success, it seems that the concept of MFP approach is successful to account contribution due to nuclear motion to the total Helmholtz free energy at finite temperatures and pressure-induced inter-band transfer of electrons for condensed state of matter. The local pseudopotential is used to evaluate cold energy and hence MFP accounts the s–p–d–f hybridization properly. Looking to the reliability and transferability along with its computational and conceptual simplicity, we would like to extend the present scheme for the study of thermodynamic properties of remaining lanthanides and actinides at extreme environment.

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