Register to reply

Calculating microscopic permittivity

by DrDu
Tags: microscopic, permittivity
Share this thread:
DrDu
#1
Jul1-14, 07:02 AM
Sci Advisor
P: 3,564
It has been quite some years since I last used quantum chemistry software.
Now I would like to use some program which allows the calculation of the microscopic omega and k-dependent dielectric function (tensor) for periodic crystals. Any proposals?
Phys.Org News Partner Physics news on Phys.org
Technique simplifies the creation of high-tech crystals
Working group explores the 'frustration' of spin glasses
New analysis of oxide glass structures could guide the forecasting of melt formation in planetary interiors
rigetFrog
#2
Jul7-14, 04:20 PM
P: 101
If you had asked about permeability, I could've told you how to do that from scratch.

How far down into first principles do you need to go? Are there existing crystal and electronic structure data for your system?
DrDu
#3
Jul8-14, 03:01 AM
Sci Advisor
P: 3,564
Thank you for your answer!
When you work with a k-dependent dielectric function, magnetic effects are already included.
I don't have a specific data set yet, I would try out first some known compounds like NaCl or quartz.

rigetFrog
#4
Jul8-14, 06:35 AM
P: 101
Calculating microscopic permittivity

I'm looking at my kittel and Ashcroft / Mermin solid state books. There are some nice analytic solutions, though only at some wavelengths.
DrDu
#5
Jul8-14, 12:53 PM
Sci Advisor
P: 3,564
Quote Quote by rigetFrog View Post
I There are some nice analytic solutions, though only at some wavelengths.
Rather approximations than solutions. I am looking for ab initio methods.


Register to reply

Related Discussions
Calculating the relative permittivity of a material Advanced Physics Homework 0
Microscopic Ohm's Law Introductory Physics Homework 2
Macroscopic vs. microscopic Special & General Relativity 3
Resistance from Microscopic Ohm's law Introductory Physics Homework 2
Microscopic transport equations Advanced Physics Homework 0