scholarly journals Effect of Solvation on the Vertical Ionization Energy of Thymine: From Microhydration to Bulk

2011 ◽  
Vol 115 (23) ◽  
pp. 6028-6038 ◽  
Author(s):  
Debashree Ghosh ◽  
Olexandr Isayev ◽  
Lyudmila V. Slipchenko ◽  
Anna I. Krylov
2020 ◽  
Vol 39 (1) ◽  
pp. 297-303
Author(s):  
Toru Akasofu ◽  
Masanobu Kusakabe ◽  
Shigeru Tamaki

AbstractThe bonding character of liquid lead telluride \text{PbTe} is thermodynamically investigated in detail. Its possibility as an ionic melt composed of cation {\text{Pb}}^{2+} and anion {\text{Te}}^{2-} is not acceptable, by comparing the ionization energy of \text{Pb} atom, electron affinity of \text{Te} atom and the ionic bonding energy due to the cation {\text{Pb}}^{2+} and anion {\text{Te}}^{2-} with the help of structural information. Solid lead telluride PbTe as a narrow band gap semiconductor might yield easily the overlapping of the tail of valence band and that of conduction one. And on melting, it becomes to an ill-conditioned metallic state, which concept is supported by the electrical behaviors of liquid Pb–Te alloys observed by the present authors. As structural information tells us about the partial remain of some sorts of covalent-type mono-dipole and poly-dipole of the molecule \text{PbTe}, all systems are thermodynamically explained in terms of a mixture of these molecules and cations {\text{Pb}}^{4+} and {\text{Te}}^{2+} and a small amount of the conduction electrons are set free from these elements based on the ternary solution model.


1967 ◽  
Vol 45 (1) ◽  
pp. 119-126 ◽  
Author(s):  
J. Basinski ◽  
R. Olivier

Hall effect and resistivity measurements have been made in the temperature range 4.2–360 °K on several samples of n-type GaAs grown under oxygen atmosphere and without any other intentional dopings. The principal shallow donor in this material is considered to be Si. All samples exhibited impurity-band conduction at low temperature. Electron concentrations in the conduction band were calculated, using a two-band model, and then fitted to the usual equation expressing charge neutrality. A value of 2.3 × 10−3 eV was obtained for the ionization energy of the donors, for donor concentration ranging from 5 × 1015 cm−3 to 2 × 1016 cm−3. The conduction in the impurity band was of the hopping type for these concentrations. A value of 3.5 × 1016 cm−3 was obtained for the critical transition concentration of the impurity-band conduction to the metallic type.


1987 ◽  
Vol 42 (9) ◽  
pp. 943-947
Author(s):  
I. Agil ◽  
A. Alharkan ◽  
H . Alhendi ◽  
A. Alnaghmoosh

It is shown that leading corrections, to the ionization energy, of many-electrons atom, can be expressed as leading corrections of initial slope of trial variational solutions of the Thomas-Fermi equation. Some variational solutions with different initial slopes are compared. A comparison of the results shows, that as far as the binding energies are concerned a trial function with its slope not close to the (negative) Baker’s constant may not be suited.


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