Self-Consistent Electron-Phonon Coupling in the Tight-Binding Approximation. II

1972 ◽  
Vol 5 (3) ◽  
pp. 941-951 ◽  
Author(s):  
S. Barišić
Keyword(s):  
Tight Binding ◽  
Phonon Coupling ◽  
Tight Binding Approximation ◽  
Electron Phonon Coupling ◽  
Self Consistent

scholarly journals MODIFIED TIGHT-BINDING APPROXIMATION AND ELECTRON-PHONON SPECTRAL FUNCTION FOR TRANSITION METALS

1990 ◽  
Vol 04 (07n08) ◽  
pp. 1395-1407 ◽  
Author(s):  
A.L. KUZEMSKY ◽  
A.P. ZHERNOV
Keyword(s):  
Transition Metals ◽  
Spectral Function ◽  
Strong Coupling ◽  
Coupling Parameter ◽  
Tight Binding ◽  
Numerical Calculations ◽  
Phonon Coupling ◽  
Tight Binding Approximation ◽  
Electron Phonon Coupling ◽  
Coupling Equations

The modified tight-binding approximation has been analyzed in detail and is applied to the derivation of an expression for electron-phonon spectral function (EPSF) which enters the strong coupling equations of superconductivity. Numerical calculations of the EPSF and the electron phonon coupling parameter λ for five transition metals, V, Nb, Mo, W, Ta have been performed.

Electron-Phonon Coupling in Superconducting Alkali-Metal Doped Fullerenes

1992 ◽  
Vol 270 ◽  
Author(s):  
R.A. Jishi ◽  
M.S. Dresseliiaus
Keyword(s):  
Experimental Data ◽  
Alkali Metal ◽  
Phonon Mode ◽  
Coupling Parameter ◽  
Tight Binding ◽  
Superconducting Transition ◽  
Phonon Coupling ◽  
Doped Fullerenes ◽  
Electron Phonon Coupling ◽  
Metal Doped

ABSTRACTThe dimensionless electron-phonon coupling parameter in alkali metal-doped fullerenes isevaluated in a model whereby the electrons are treated within a tight binding formalism.The phonon mode frequencies and eigenvectors are obtained from a lattice dynamical modelwhich accurately fits all available experimental data on these modes. It is shown that the electrormphonon interaction can account for the relatively high values of the superconducting transition temperatures in alkali-metal fullerenes.

THEORETICAL ASPECTS OF THE FIELD INDUCED SUPERCONDUCTIVITY IN POLYACENES AND C60

2002 ◽  
Vol 16 (11n12) ◽  
pp. 1547-1551
Author(s):  
S.-L. DRECHSLER ◽  
G. PAASCH ◽  
J. MÁLEK ◽  
S. V. SHULGA ◽  
H. ESCHRIG ◽  
...  
Keyword(s):  
Tight Binding ◽  
Band Structure Calculation ◽  
Full Potential ◽  
Coupling Constant ◽  
Phonon Coupling ◽  
Critical Temperatures ◽  
Binding Model ◽  
Electron Phonon Coupling ◽  
Strong Coulomb ◽  
Experimental Values

The electronic structure and the superconductivity in field-doped polyacenes are considered. Within a modified Thomas–Fermi approach for typical experimental values of the surface charge density the injected charge is confined to a monolayer. The electron–phonon coupling constant for internal modes λintra is estimated using the work of Devos and Lanoo (Ref. 4) and the density of states N(0) estimated from a 2D tight-binding model derived from a full potential LDA band structure calculation for bulk anthracene. The empirical values of the Coulomb pseudopotentials are significantly enhanced. The strong Coulomb interaction is considered as a key quantity which determines the large differences in the critical temperatures achieved for n-doped polyacenes and C 60.

Tight-binding electron–phonon coupling and band renormalization in graphene

2015 ◽  
Vol 24 (1) ◽  
pp. 017301 ◽  
Author(s):  
De-Sheng Zhang ◽  
Guang-Zhen Kang ◽  
Jun Li
Keyword(s):  
Tight Binding ◽  
Phonon Coupling ◽  
Electron Phonon Coupling

Dynamics of the Formation of the Nitrogen-Vacancy Center in Diamond

2016 ◽  
Vol 19 (2) ◽  
pp. 380-392 ◽  
Author(s):  
Amihai Silverman ◽  
Joan Adler ◽  
Rafi Kalish
Keyword(s):  
Density Functional ◽  
Tight Binding ◽  
Interstitial Site ◽  
Nitrogen Vacancy ◽  
Tight Binding Approximation ◽  
Substitutional Site ◽  
Nitrogen Vacancy Center ◽  
Self Consistent ◽  
Nv Center ◽  
Vacancy Center

AbstractWe present results of simulations of the energetics and dynamics involved in the realization of the NV (nitrogen-vacancy) center in diamond. We use the self-consistent charge-density functional tight-binding approximation and show that when the nitrogen resides on a single substitutional site, it fails to attract a vacancy, hence no NV center can be formed. However, if it occupies a split interstitial site and two vacancies reside on the second or third neighbor sites, an NV center will form following annealing at temperatures as low as 300°C and 650°C, respectively. These results provide guidelines to experimentalists on how to increase the efficiency of NV formation in diamond.

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