scholarly journals First-principles Fourier approach for the calculation of the effective dielectric constant of periodic composites

1990 ◽  
Vol 41 (4) ◽  
pp. 2417-2420 ◽  
Author(s):  
Ruibao Tao ◽  
Zhe Chen ◽  
Ping Sheng
Keyword(s):  
Dielectric Constant ◽  
First Principles ◽  
Effective Dielectric Constant ◽  
Periodic Composites

Measurement of effective dielectric constant : A comparison

2011 ◽  
Author(s):  
Aakashdeep ◽  
Saurav Kr. Basu ◽  
G. V. Ujjwal ◽  
Sakshi Kumari ◽  
V. R. Gupta
Keyword(s):  
Dielectric Constant ◽  
Effective Dielectric Constant

Contributions to Silicon-Hydrogen Bond-Stretching Frequency in Amorphous Si Alloys

1992 ◽  
Vol 258 ◽  
Author(s):  
Z. Jing ◽  
J. L. Whitten ◽  
G. Lucovsky
Keyword(s):  
Experimental Data ◽  
Hydrogen Bond ◽  
Dielectric Constant ◽  
Ab Initio ◽  
Effective Dielectric Constant ◽  
Bond Energies ◽  
Calculated Frequency ◽  
Bond Stretching ◽  
Amorphous Si ◽  
Good Agreement

ABSTRACTWe have performed ab initio calculations and determined the bond-energies and vibrational frequencies of Si-H groups that are: i) attached to Si-atoms as their immediate, and also more distant neighbors; and ii) attached to three O-atoms as their immediate neighbors, but are connected to an all Si-atom matrix. These arrangements simulate bonding geometries on Si surfaces, and the calculated frequency for i) is in good agreement with that of an Si-H group on an Si surface. To compare these results with a-Si:H alloys it is necessary to take into account an additional factor: the effective dielectric constant of the host. We show how to do this, demonstrating the way results of the ab initio calculations should then be compared with experimental data.

scholarly journals Characterization of percolation behavior in conductor–dielectric 0-3 composites

2014 ◽  
Vol 04 (04) ◽  
pp. 1450035 ◽  
Author(s):  
Lin Zhang ◽  
Patrick Bass ◽  
Zhi-Min Dang ◽  
Z.-Y. Cheng
Keyword(s):  
Dielectric Constant ◽  
Percolation Threshold ◽  
Frequency Dependence ◽  
Experimental Results ◽  
Effective Dielectric Constant ◽  
Filler Concentration ◽  
Percolation Behavior ◽  
The Matrix ◽  
The Relationship

The equation ε eff ∝ (ϕc - ϕ)-s which shows the relationship between effective dielectric constant (εeff) and the filler concentration (φ), is widely used to determine the percolation behavior and obtain parameters, such as percolation threshold φc and the power constant s in conductor–dielectric composites (CDCs). Six different systems of CDCs were used to check the expression by fitting experimental results. It is found that the equation can fit the experimental results at any frequency. However, it is found that the fitting constants do not reflect the real percolation behavior of the composites. It is found that the dielectric constant is strongly dependent on the frequency, which is mainly due to the fact that the frequency dependence of the dielectric constant for the composites close to φc is almost independent of the matrix.

Preliminary First Principles Study Of Hf and Zr Aluminates as Replacement High-k Dielectrics

2001 ◽  
Vol 670 ◽  
Author(s):  
Michael Haverty ◽  
Atsushi Kawamoto ◽  
Gyuchang Jun ◽  
Kyeongjae Cho ◽  
Robert Dutton
Keyword(s):  
Density Functional Theory ◽  
Dielectric Constant ◽  
Bulk Density ◽  
First Principles ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Conduction Band Edge ◽  
Functional Theory ◽  
Trade Off ◽  
High K

ABSTRACTBulk Density Functional Theory calculations were performed on Hf and Zr substitutions for Al in κ-alumina. The lowest energy configuration found was an octahedrally coordinated Zr site. Zr dissolution was favorable with an enthalpy of -2eV/unit cell for forming Al1.875Zr0.125O3 from pure Zr and κ-alumina. Hf and Zr substitution for Al atoms introduced empty d-states below the conduction band edge reducing the Eg of pure κ-alumina (7.5eV) to 6.4-5.9eV. The edge of the valence band however remained fixed by the O p-state character. The substitution of Hf and Zr into the alumina structure may lead to a higher dielectric constant, but will also reduce Eg and result in a trade off in tunneling currents in devices.

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