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QuantumATK => General Questions and Answers => Topic started by: Tufan on December 27, 2017, 13:01

Title: Calculation of Dielectric constant of 2-D materials
Post by: Tufan on December 27, 2017, 13:01

How to calculate the dielectric constant from optical spectrum?

Title: Re: Calculation of Dielectric constant of 2-D materials
Post by: Jess Wellendorff on January 2, 2018, 15:43

From a technical standpoint, this is exemplified in a tutorial: https://docs.quantumwise.com/tutorials/optical/optical.html#optical-spectrum (https://docs.quantumwise.com/tutorials/optical/optical.html#optical-spectrum). However, from a physical standpoint, I am not sure the Kubo-Greenwood optical spectrum is valid for 2D materials. As far as I know, the KB optical spectrum is mostly applicable to 3D bulks.