scholarly journals On the Concentration and Phase-relation Dependence of Seebeck Coefficient and the Contact Angle in Metallic Solutions

2018 ◽  
Vol 47 (3) ◽  
pp. 251-256
Author(s):  
Attila Szabo ◽  
Akos Hambalgo ◽  
Gergo Megyer ◽  
Antal Lovas
Keyword(s):  
Electronic Structure ◽  
Seebeck Coefficient ◽  
Concentration Dependence ◽  
Heat Of Formation ◽  
Heat Of Mixing ◽  
Electron Model ◽  
Ni Alloys ◽  
Α Phase ◽  
Free Electron Model ◽  
Property Changes

The focus of this paper is the deeper understanding of the effect of the change in the electronic structure on the wetting angle and transport properties. For this purpose, using the alloys from the earlier study, the thermopower has been measured and the Seebeck coefficient has also been determined in room temperature (solidified state). During the experiments in both case the modification of the electronic structure were performed by alloying on a way, that the investigated systems are terminal (α) solutions in solid state. The concentration dependence of property changes are interpreted on the bases of free electron model elaborated earlier for this alloy types. This prediction fits well also to the concentration dependence of heat of formation in these alloys. Similar concentration dependence has been also found between the Seebeck coefficient, the resistivity and the heat of mixing in α-phase Fe-Ni alloys. The shift of thermopower were also monitored in order to detect the crystallization (first oreder transformation) starting form amorphous Fe-B alloys. 

Electronic Structure of Gadolinium and Dysprosium Using Compton Scattering Technique

2006 ◽  
Vol 61 (5-6) ◽  
pp. 299-305
Author(s):  
Shabha Khera ◽  
Narayan Lal Heda ◽  
Sonal Mathur ◽  
Babu Lal Ahuja
Keyword(s):  
Electronic Structure ◽  
Compton Scattering ◽  
Gamma Rays ◽  
Free Electron ◽  
Cohesive Energy ◽  
Electron Model ◽  
Free Electron Model ◽  
Scattering Technique ◽  
Derivatives Of

In this paper we present the first ever measured Compton profiles of polycrystalline gadolinium and dysprosium using 661.65 keV gamma-rays. The Compton data are compared with renormalized-freeatom (RFA) and free-electron model profiles. In both cases the RFA model (with e− - e− correlation) gives a better agreement with the experiment. The hybridization effects of s-, p-, d-, and f-electrons are discussed, using the first derivatives of the Compton profiles. We also report the cohesive energy of both samples, computed from the RFA calculations. - PACS numbers: 13.60.F, 71.15.Nc, 78.70. -g, 78.70.Ck

Electronic structure and chemical bonding of α- and β-Ta4AlC3 phases: Full-potential calculation

2008 ◽  
Vol 23 (9) ◽  
pp. 2350-2356 ◽  
Author(s):  
Wei Lu ◽  
Xiaohui Deng ◽  
Hai Wang ◽  
Haitao Huang ◽  
Lianlong He
Keyword(s):  
Electronic Structure ◽  
Chemical Bonding ◽  
First Principles ◽  
Heat Of Formation ◽  
Full Potential ◽  
Generalized Gradient ◽  
Β Phase ◽  
Α Phase ◽  
Two Phases ◽  
The Stability

First-principles total-energy and heat of formation calculations on α and β polymorphs of Ta4AlC3 have been made with a full-potential electronic structure program with the generalized gradient approximation, which shows that α phase is more stable than β phase. The charge transfer and chemical bonding of the two phases were investigated quantitatively by using Bader’s quantum theory of atoms in molecules (AIM). The results show that the bonding between Ta1-C2 is stronger in α phase than β phase, which leads to the stability of α phase.

Calculation of pi-electron polarisabilities of several aromatic hydrocarbons by free electron model

1966 ◽  
Vol 63 ◽  
pp. 1277-1277 ◽  
Author(s):  
Purnendra Nath Sen ◽  
Sadhan Basu
Keyword(s):  
Aromatic Hydrocarbons ◽  
Free Electron ◽  
Electron Model ◽  
Free Electron Model

scholarly journals Thermodynamic, structural, transport and surface properties of Pb-Tl liquid alloy

BIBECHANA ◽  
2015 ◽  
Vol 13 ◽  
pp. 100-113 ◽  
Author(s):  
SK Yadav ◽  
LN Jha ◽  
D Adhikari
Keyword(s):  
Liquid Alloy ◽  
Surface Concentration ◽  
Heat Of Formation ◽  
Concentration Fluctuation ◽  
Heat Of Mixing ◽  
Long Wavelength ◽  
Wavelength Limit ◽  
Energy Of Mixing ◽  
Free Energy Of Mixing ◽  
Experimental Values

Thermodynamic properties, such as free energy of mixing, heat of mixing, entropy of mixing, activities and the microscopic structural properties, such as concentration fluctuation in long-wavelength limit and chemical short-range order parameter of Pb-Tl liquid alloy at 773 K have been studied on the basis of regular associated solution model. We have estimated the mole fractions of the complex and the unassociated atoms assuming the existence of  complex as energetically favoured in the liquid state. The compositional contributions of the heat of mixing of the species Pb and Tl and the heat of formation of the compound to the net enthalpy change have also been studied. The transport properties such as, viscosity and the ratio of mutual and intrinsic coefficients have been studied using different approaches. The surface concentration of Tl atoms has been computed and it has been employed to calculate the surface tension of Pb-Tl liquid alloy. Both the theoretical and the experimental values of the concentration fluctuation in long-wavelength limit are found to be less than the ideal value, revealing that the concerned system is hetero-coordinating in nature. The interaction energies are found to be temperature dependent and respective alloy is found to be weakly interacting system. BIBECHANA 13 (2016) 100-113

scholarly journals FREE ELECTRON MODEL STUDY ON INTERLAYER EXCHANGE COUPLING IN MAGNETIC MULTILAYERS

1996 ◽  
Vol 45 (5) ◽  
pp. 869
Author(s):  
YANG GUO-LIN ◽  
LI BO-ZANG ◽  
LI LIE-MING ◽  
SUN GANG ◽  
WU JIAN-HUA ◽  
...  
Keyword(s):  
Free Electron ◽  
Exchange Coupling ◽  
Magnetic Multilayers ◽  
Interlayer Exchange Coupling ◽  
Electron Model ◽  
Model Study ◽  
Free Electron Model ◽  
Interlayer Exchange

The Free-Electron Model

1990 ◽  
pp. 1-15 ◽  
Author(s):  
R. G. Chambers
Keyword(s):  
Free Electron ◽  
Electron Model ◽  
Free Electron Model
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