Modified tight-binding equations for electron wave functions in crystals with point defects

1996 ◽  
Vol 37 (6) ◽  
pp. 839-846
Author(s):  
V. M. Tapilin
Keyword(s):  
Point Defects ◽  
Tight Binding ◽  
Wave Functions ◽  
Electron Wave

Magnetotunneling spectroscopy imaging of electron wave functions in self-assembled InAs quantum dots

2001 ◽  
Vol 171 (12) ◽  
pp. 1365
Author(s):  
E.E. Vdovin ◽  
Yu.N. Khanin ◽  
Yu.V. Dubrovskii ◽  
A. Veretennikov ◽  
A. Levin ◽  
...  
Keyword(s):  
Quantum Dots ◽  
Wave Functions ◽  
Electron Wave ◽  
Inas Quantum Dots ◽  
Self Assembled

A free-electron theory of conjugated molecules

1953 ◽  
Vol 49 (4) ◽  
pp. 650-658 ◽  
Author(s):  
J. Stanley Griffith
Keyword(s):  
Free Electron ◽  
Wave Functions ◽  
Electron Charge ◽  
Algebraic Equations ◽  
Electron Wave ◽  
Electron Theory ◽  
Conjugated Molecules ◽  
Electron Charge Density ◽  
Linear Polyenes ◽  
Alternant Hydrocarbons

ABSTRACTThe values of a free-electron eigenfunotion at the carbon nuclei of a conjugated hydrocarbon are found to satisfy a system of algebraic equations. These equations are similar in form to those obtained in the method known as the linear combination of atomic orbitale but only coincide with them for linear polyenes and benzene. The symmetry, degeneracy and energy of the eigenvectors of these free-electron equations correspond exactly to those of the free-electron wave functions found by the usual methods. From this correspondence, a theorem is deduced about the free-electron charge density in alternant hydrocarbons.

Electron wave functions at the nuclear surface

1974 ◽  
Vol 48 (2) ◽  
pp. 91-94 ◽  
Author(s):  
H. Ogata ◽  
J. Asai
Keyword(s):  
Wave Functions ◽  
Nuclear Surface ◽  
Electron Wave

scholarly journals Tight-Binding Molecular Dynamics Simulations on Point Defects Diffusion and Interactions in Crystalline Silicon

1995 ◽  
Vol 396 ◽  
Author(s):  
M. tang ◽  
L. colombo ◽  
T. Diaz De La Rubia
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Point Defects ◽  
Crystalline Silicon ◽  
Tight Binding ◽  
Diffusion Path ◽  
Binding Energies ◽  
Defect Clusters ◽  
Dynamics Simulations

AbstractTight-binding molecular dynamics (TBMD) simulations are performed (i) to evaluate the formation and binding energies of point defects and defect clusters, (ii) to compute the diffusivity of self-interstitial and vacancy in crystalline silicon, and (iii) to characterize the diffusion path and mechanism at the atomistic level. In addition, the interaction between individual defects and their clustering is investigated.

scholarly journals Optics of Chromites and Charge-Transfer Transitions

2008 ◽  
Vol 2008 ◽  
pp. 1-4 ◽  
Author(s):  
Andrei V. Zenkov
Keyword(s):  
Charge Transfer ◽  
Simple Structure ◽  
Electric Dipole Transition ◽  
Wave Functions ◽  
Final States ◽  
Matrix Elements ◽  
Cluster Approach ◽  
Electron Wave ◽  
Charge Transfer Transitions ◽  
Transition Modeling

Specific features of the charge-transfer (CT) states and O2p→Cr3d transitions in the octahedral (CrO6)9− complex are considered in the cluster approach. The reduced matrix elements of the electric-dipole transition operator are calculated on many-electron wave functions of the complex corresponding to the initial and final states of a CT transition. Modeling the optic spectrum of chromites has yielded a complicated CT band. The model spectrum is in satisfactory agreement with experimental data which demonstrates the limited validity of the generally accepted concept of a simple structure of CT spectra.

Electron Wave Functions in Metallic Cesium

1958 ◽  
Vol 112 (4) ◽  
pp. 1061-1062 ◽  
Author(s):  
Joseph Callaway
Keyword(s):  
Wave Functions ◽  
Electron Wave
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