Phonons and static dielectric constant inCaTiO3from first principles

2000 ◽  
Vol 62 (6) ◽  
pp. 3735-3743 ◽  
Author(s):  
Eric Cockayne ◽  
Benjamin P. Burton
Keyword(s):  
Dielectric Constant ◽  
First Principles ◽  
Static Dielectric Constant

A honeycomb-like monolayer of HfO2 and the calculation of static dielectric constant eliminating the effect of vacuum spacing

2018 ◽  
Vol 20 (41) ◽  
pp. 26453-26462 ◽  
Author(s):  
Junhui Weng ◽  
Shang-Peng Gao
Keyword(s):  
Dielectric Constant ◽  
First Principles ◽  
Dielectric Material ◽  
Static Dielectric Constant ◽  
First Principles Calculations

A novel dielectric material of monolayer 1T-HfO2 has been investigated using first-principles calculations.

scholarly journals Comment on “investigation of dielectric constants of water in a nano-confined pore” by H. Zhu, F. Yang, Y. Zhu, A. Li, W. He, J. Huang and G. Li, RSC Adv., 2020, 10, 8628

RSC Advances ◽  
2021 ◽  
Vol 11 (9) ◽  
pp. 5179-5181
Author(s):  
Sayantan Mondal ◽  
Biman Bagchi
Keyword(s):  
Dielectric Constant ◽  
Dielectric Constants ◽  
Static Dielectric Constant ◽  
Inherent Anisotropy ◽  
Nanoconfined Water

Neglects of inherent anisotropy and distinct dielectric boundaries may lead to completely erroneous results. We demonstrate that such mistakes can give rise to gross underestimation of the static dielectric constant of cylindrically nanoconfined water.

Effect of Co doping on the static dielectric constant of ZnO nanoparticles

2007 ◽  
Vol 101 (12) ◽  
pp. 124911 ◽  
Author(s):  
C. K. Ghosh ◽  
K. K. Chattopadhyay ◽  
M. K. Mitra
Keyword(s):  
Dielectric Constant ◽  
Zno Nanoparticles ◽  
Static Dielectric Constant ◽  
Co Doping

Über die Deutung der Gleichstromleitfähigkeit organischer Flüssigkeiten bei niedrigen Temperaturen

1964 ◽  
Vol 19 (9) ◽  
pp. 1070-1075
Author(s):  
H. Vogel ◽  
H. Bässler
Keyword(s):  
Activation Energy ◽  
Dielectric Constant ◽  
Liquid State ◽  
Static Dielectric Constant ◽  
Coulomb Energy ◽  
Organic Liquids ◽  
Characteristic Distance ◽  
Lower Region ◽  
Pure Coulomb ◽  
The Law

The activation energy of the d. c. conductance of organic liquids lies between 0.04 and 0.45 eV in the lower region of temperature of their liquid state. A comparison of these values with the static dielectric constant shows, that the activation energy may be regarded as a pure COULOMB energy: E2 = e2/2 ε r . The characteristic distance r has the approximate value of 8.5 Å for hydrocarbons. It decreases for halogen- and nitro-derivates. Formerly it was found that the conductivity of mixtures obeys the law σM = σAC · σB1-C. This can easily be explained assuming εM = c εA + (1 — c) εB. In the case of rather different ε values or of homologuous compounds forming complexes, σ increases. This is identical with a kink in the log σ (c) -curve.

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.

Static dielectric constant of disordered organic quasi one-dimensional conductors: Localization by defects

1982 ◽  
Vol 43 (7) ◽  
pp. 507-510 ◽  
Author(s):  
A. Jànossy ◽  
K. Holczer ◽  
P.L. Hsieh ◽  
C.M. Jackson ◽  
A. Zettl
Keyword(s):  
Dielectric Constant ◽  
Static Dielectric Constant ◽  
One Dimensional
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