scholarly journals A New Model for the Lattice Dynamics of Alkali Halides

1973 ◽  
Vol 26 (2) ◽  
pp. 217
Author(s):  
DC Wallace
Keyword(s):  
Correlation Function ◽  
Band Structure ◽  
Lattice Dynamics ◽  
Electronic Band Structure ◽  
Alkali Halides ◽  
Qualitative Properties ◽  
Electronic Band ◽  
New Model ◽  
Computer Evaluation ◽  
Two Parameter

Qualitative properties of the electronic band structure of a KCl crystal are used to derive a simple two-parameter model for the correlation function c(q, q') which arises in the theory of lattice dynamics. This function relates the adiabatic deformation of the electronic band structure to the vibration of the ion cores. Expressions for the dynamical matrices are derived. The model is ready for a direct computer evaluation of the phonon frequencies to test its validity.

Electronic band structure of the alkali halides. I. Experimental parameters

1975 ◽  
Vol 11 (12) ◽  
pp. 5179-5189 ◽  
Author(s):  
R. T. Poole ◽  
J. G. Jenkin ◽  
J. Liesegang ◽  
R. C. G. Leckey
Keyword(s):  
Band Structure ◽  
Electronic Band Structure ◽  
Alkali Halides ◽  
Electronic Band ◽  
Experimental Parameters

Electronic band structure and lattice dynamics of 5d-electron potential superconductors SrM2Ge2 (M = Ir, Pt)

2019 ◽  
Vol 294 ◽  
pp. 49-54
Author(s):  
Yang Yang ◽  
Shi-Quan Feng ◽  
Hong-Yan Lu ◽  
Hai-Yang Dai ◽  
Zhen-Ping Chen
Keyword(s):  
Band Structure ◽  
Lattice Dynamics ◽  
Electronic Band Structure ◽  
Electronic Band

Electronic band structure of the alkali halides. II. Critical survey of theoretical calculations

1975 ◽  
Vol 11 (12) ◽  
pp. 5190-5196 ◽  
Author(s):  
R. T. Poole ◽  
J. Liesegang ◽  
R. C. G. Leckey ◽  
J. G. Jenkin
Keyword(s):  
Band Structure ◽  
Electronic Band Structure ◽  
Theoretical Calculations ◽  
Alkali Halides ◽  
Critical Survey ◽  
Electronic Band

The electronic band structure of silicon

Physica ◽  
1954 ◽  
Vol 3 (7-12) ◽  
pp. 967-970
Author(s):  
D JENKINS
Keyword(s):  
Band Structure ◽  
Electronic Band Structure ◽  
Electronic Band

THE ELECTRONIC BAND STRUCTURE OF V3Ga AND V3Si

1972 ◽  
Vol 33 (C3) ◽  
pp. C3-223-C3-233 ◽  
Author(s):  
I. B. GOLDBERG ◽  
M. WEGER
Keyword(s):  
Band Structure ◽  
Electronic Band Structure ◽  
Electronic Band

Ab initio calculation on the Optical Properties of AA- Stacked two dimensional Graphene, Silicene, Germanene, and Stanene

2018 ◽  
Vol 1 (1) ◽  
pp. 46-50
Author(s):  
Rita John ◽  
Benita Merlin
Keyword(s):  
Optical Properties ◽  
Band Structure ◽  
Density Functional ◽  
Electronic Band Structure ◽  
Complex Refractive Index ◽  
Single Layer ◽  
Generalized Gradient ◽  
Electronic Band ◽  
Wide Range ◽  
Optical Region

In this study, we have analyzed the electronic band structure and optical properties of AA-stacked bilayer graphene and its 2D analogues and compared the results with single layers. The calculations have been done using Density Functional Theory with Generalized Gradient Approximation as exchange correlation potential as in CASTEP. The study on electronic band structure shows the splitting of valence and conduction bands. A band gap of 0.342eV in graphene and an infinitesimally small gap in other 2D materials are generated. Similar to a single layer, AA-stacked bilayer materials also exhibit excellent optical properties throughout the optical region from infrared to ultraviolet. Optical properties are studied along both parallel (||) and perpendicular ( ) polarization directions. The complex dielectric function (ε) and the complex refractive index (N) are calculated. The calculated values of ε and N enable us to analyze optical absorption, reflectivity, conductivity, and the electron loss function. Inferences from the study of optical properties are presented. In general the optical properties are found to be enhanced compared to its corresponding single layer. The further study brings out greater inferences towards their direct application in the optical industry through a wide range of the optical spectrum.

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