scholarly journals Defect Reactions at Metal-Semiconductor and Semiconductor-Semiconductor Interfaces

1989 ◽  
Vol 148 ◽  
Author(s):  
W. Walukiewicz
Keyword(s):  
Fermi Level ◽  
Formation Energy ◽  
Defect Formation ◽  
Quantitative Description ◽  
Stabilization Energy ◽  
Defect Formation Energy ◽  
New Approach ◽  
Native Defects ◽  
Semiconductor Interfaces ◽  
Defect Reactions

ABSTRACTA recently proposed, new approach to the problem of native defect formation in compound semiconductors is presented. The approach is based on the concept of amphoteric native defects. It is shown that the defect formation energy as well as structure and properties of simple native defects depend on the location of the Fermi level with respect to an internal energy reference: the Fermi level stabilization energy. The known location of the stabilization energy determines the electronic part of the defect formation energy and allows for a quantitative description of a variety of phenomena including: the formation of defects at metal-semiconductor interfaces, doping induced superlattice intermixing and limitations of free carrier concentrations in semiconductors.

Tuning magnetism by biaxial strain in native ZnO

2015 ◽  
Vol 17 (25) ◽  
pp. 16536-16544 ◽  
Author(s):  
Chengxiao Peng ◽  
Yuanxu Wang ◽  
Zhenxiang Cheng ◽  
Guangbiao Zhang ◽  
Chao Wang ◽  
...  
Keyword(s):  
Formation Energy ◽  
Defect Formation ◽  
Biaxial Strain ◽  
Defect Formation Energy

Strain conditions have little effect on the defect formation energy of Zn and O vacancies in ZnO, but they do affect the magnetism significantly.

scholarly journals Electron Scattering by Native Defects in Uniformly and Modulation Doped Semiconductor Structures

1989 ◽  
Vol 163 ◽  
Author(s):  
W. Walukiewicz
Keyword(s):  
Electron Scattering ◽  
Electron Mobility ◽  
Defect Formation ◽  
Hole Concentration ◽  
Defect Model ◽  
Free Electron Concentration ◽  
Defect Formation Energy ◽  
Native Defects ◽  
Semiconductor Structures ◽  
Heavily Doped

AbstractFormation of native defects in GaAs is described in terms of the amphoteric native defect model. It is shown that Fermi energy induced formation of gallium vacancies is responsible for the limitations of maximum free electron concentration in GaAs. The effect of the defects on electron mobility in heavily doped n-GaAs is quantitatively evaluated. Defect scattering explains the abrupt reduction of electron mobility at high doping levels. Also, it is demonstrated that native defects are responsible for the mobility reduction in inverted modulation doped GaAs/AlGaAs heterostructures. The amphoteric defect model also explains a distinct asymmetry in defect formation in n- and p-GaAs. In p-GaAs the Fermi level induced reduction of the defect formation energy is much smaller, and therefore the concentration of the native defects is negligible compared with the hole concentration.

Defect formation energy for charge states and electrophysical properties of CdMnTe

2015 ◽  
Author(s):  
M. A. Mehrabova ◽  
H. R. Nuriyev ◽  
H. S. Orujov ◽  
A. M. Nazarov ◽  
R. M. Sadigov ◽  
...  
Keyword(s):  
Formation Energy ◽  
Defect Formation ◽  
Electrophysical Properties ◽  
Defect Formation Energy ◽  
Charge States

Calculation of Defect Formation Energy from the Thermal Expansion Data for Lead Fluoride

1994 ◽  
Vol 369 ◽  
Author(s):  
Brenda J. Schuler ◽  
T. S. Aurora ◽  
D. O. Pederson ◽  
S. M. Day
Keyword(s):  
Thermal Expansion ◽  
Thermal Expansion Coefficient ◽  
Expansion Coefficient ◽  
Formation Energy ◽  
Defect Formation ◽  
Coefficient Of Thermal Expansion ◽  
Linear Thermal Expansion ◽  
Lead Fluoride ◽  
Defect Formation Energy ◽  
Thermal Expansion Data

AbstractLead fluoride is a superionic conductor with the fluorite structure. Results of the measurement of linear thermal expansion of lead fluoride (reported earlier in literature) showed a large increase in the thermal expansion coefficient near 700 K where the ionic conductivity has been shown to exhibit a sharp increase. It is believed that thermally-generated defects in a crystal lattice affect the thermal expansion coefficient. This idea was applied in the present analysis to calculate the defect formation energy (Ef) by using the literature values of the coefficient of thermal expansion. It was assumed that the thermal expansion in excess of that produced due to the lattice anharmonicity (δ∝) is proportional to the concentration of defects (n). With this assumption, one may write: δ∝ = c nº exp(-Ef/kT), where c is a constant. For lead fluoride, a plot of ln(δ∝) versus (l/T) yielded Ef = 0.56 eV which is lower than the literature values. The assumptions in this analysis and the discrepancy in the result are discussed.

Defect Formation Energy in Spinel LiNi0.5Mn1.5O4-δ Using Ab Initio DFT Calculations

2015 ◽  
Vol 119 (17) ◽  
pp. 9117-9124 ◽  
Author(s):  
Hiromasa Shiiba ◽  
Nobuyuki Zettsu ◽  
Masanobu Nakayama ◽  
Shuji Oishi ◽  
Katsuya Teshima
Keyword(s):  
Dft Calculations ◽  
Ab Initio ◽  
Formation Energy ◽  
Defect Formation ◽  
Defect Formation Energy ◽  
Ab Initio Dft

Defect formation energy in pyrochlore: the effect of crystal size

2014 ◽  
Vol 1 (3) ◽  
pp. 035501 ◽  
Author(s):  
Jianwei Wang ◽  
Rodney C Ewing ◽  
Udo Becker
Keyword(s):  
Formation Energy ◽  
Crystal Size ◽  
Defect Formation ◽  
Defect Formation Energy
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