Electronic Transport Properties of Hg1-xFexSe

1986 ◽  
Vol 89 ◽  
Author(s):  
F. Pool ◽  
J. Kossut ◽  
U. Debska ◽  
R. Reifenberger ◽  
J. K. Furdyna
Keyword(s):  
Electron Concentration ◽  
Electronic Band Structure ◽  
Impurity Scattering ◽  
Concentration Data ◽  
Electronic Band ◽  
Scattering Effects ◽  
Temperature Electron ◽  
Charged Impurity Scattering ◽  
Fe Ions

AbstractThe electrical resistivity, electron concentration, and mobility of Hg1-xFexSe are reported for 4.2K < T < 300K and for 0.0001 < x < 0.12. The data are interpreted within an electronic band structure model that assumes the existence of resonant donors (due to the presence of Fe ions) whose ground state energy coincides with the conduction band continuum. The electron concentration data enable determination of the value of the donor energy as a function of the temperature and the crystal composition. The low temperature electron mobility for ∼ 0.0003 ≤ x ≤ 0.01 is considerably higher than expected and indicates a reduction of the charged impurity scattering effects at low temperatures.

Determination of the electronic band structure for a graded modulation-doped AlGaN∕AlN∕GaN superlattice

2007 ◽  
Vol 91 (14) ◽  
pp. 142121 ◽  
Author(s):  
Z. H. Wu ◽  
F. A. Ponce ◽  
Joachim Hertkorn ◽  
Ferdinand Scholz
Keyword(s):  
Band Structure ◽  
Electronic Band Structure ◽  
Electronic Band

The total electronic band structure energy for 29 elements

1966 ◽  
Vol 294 (1438) ◽  
pp. 376-392 ◽  
Keyword(s):  
Band Structure ◽  
Electronic Band Structure ◽  
Model Potential ◽  
Electronic Band ◽  
Atomic Properties ◽  
Phonon Spectra ◽  
Metal Properties ◽  
Band Structure Energy ◽  
Electron Band Structure

The total electronic band structure energy is calculated for 29 elements by the method of the screened model potential of Heine & Abarenkov (1964). The division of the total energy of a metal into free electron, band structure, and electrostatic parts follows the method initiated by Harrison (1963) for the calculation of atomic properties. By drawing an analogy with the procedure introduced by Cochran (1963) for the experimental determination of the electronic contribution to phonon spectra of metals, we arrive at a more convenient expression for the total band structure energy in a form applicable to the determination of atomic properties, phonon spectra, general interatomic forces, and possibly liquid metal properties. Numerical results are compared with those derived from experiment and from the o. p. w. pseudopotential method.

scholarly journals Computational Investigation of the Electronic and Optical Properties of Planar Ga-Doped Graphene

2015 ◽  
Vol 2015 ◽  
pp. 1-7 ◽  
Author(s):  
Nicole Creange ◽  
Costel Constantin ◽  
Jian-Xin Zhu ◽  
Alexander V. Balatsky ◽  
Jason T. Haraldsen
Keyword(s):  
Band Structure ◽  
Electron Density ◽  
Density Functional ◽  
Electronic Band Structure ◽  
Local Density ◽  
Impurity Scattering ◽  
Hole Doping ◽  
Electronic Band ◽  
Doped Graphene ◽  
Impurity Doping

We simulate the optical and electrical responses in gallium-doped graphene. Using density functional theory with a local density approximation, we simulate the electronic band structure and show the effects of impurity doping (0–3.91%) in graphene on the electron density, refractive index, optical conductivity, and extinction coefficient for each doping percentage. Here, gallium atoms are placed randomly (using a 5-point average) throughout a 128-atom sheet of graphene. These calculations demonstrate the effects of hole doping due to direct atomic substitution, where it is found that a disruption in the electronic structure and electron density for small doping levels is due to impurity scattering of the electrons. However, the system continues to produce metallic or semimetallic behavior with increasing doping levels. These calculations are compared to a purely theoretical 100% Ga sheet for comparison of conductivity. Furthermore, we examine the change in the electronic band structure, where the introduction of gallium electronic bands produces a shift in the electron bands and dissolves the characteristic Dirac cone within graphene, which leads to better electron mobility.

scholarly journals Re-evaluation of experimental measurements for the validation of electronic band structure calculations for LiFePO4 and FePO4

RSC Advances ◽  
2019 ◽  
Vol 9 (2) ◽  
pp. 1134-1146 ◽  
Author(s):  
Yin Zhang ◽  
Jose A. Alarco ◽  
Adam S. Best ◽  
Graeme A. Snook ◽  
Peter C. Talbot ◽  
...  
Keyword(s):  
Band Structure ◽  
Dft Calculations ◽  
Electronic Band Structure ◽  
Experimental Measurements ◽  
Electronic Band ◽  
Optical Gap ◽  
Band Structure Calculations ◽  
Structure Calculations

The surface Li depletion affects the determination of optical gap for LiFePO4, which was previously used for validation of DFT calculations.

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