[Pw_forum] optical properties

[W2AGZ]

Dear Sohail,

 

Your issue is addressed in a number of standard EM texts, but you may want
to have a look at my 1965 PhD thesis on the optical properties of thin
germanium films which contains all the relevant algebra, "in reverse," that
is, obtaining the dielectric constants from experimental optical
measurements.  Click here
<http://w2agz.com/Personal%20Academic%20Material/Harvard/PhD%20Thesis/The%20
Optical%20Properties%20of%20Thin%20Germanium%20Films,%20AD%20619%20071%202.p
df>  to download from my website (I believe the Forum supports imbedded html
hyperlinks, if not I'll e-mail it to you).  Note that you are dealing with a
monolayer film, well under the penetration depth of a bulk system, and this
is "complicated" but dealt with in my thesis.  Also note all this is quite
classical and independent of what flavor DFT formalism you employ to
generate epsilon.

 

Good Luck, -Paul

 

Paul Michael Grant, PhD

Physicist and Science Writer

Senior Life Fellow, American Physical Society

Fellow, Institute of Physics, United Kingdom

APS Distinguished Lecturer on Applications of Physics (2014-15) 

Staff Associate, Jet Propulsion Laboratory, NASA (2011-15)

Visiting Scholar, Applied Physics, Stanford (2005-2008)

EPRI Science Fellow (Retired)

IBM Research Staff Member/Manager Emeritus

Principal, W2AGZ Technologies

 <mailto:w2agz at w2agz.com> w2agz at w2agz.com

 <http://www.w2agz.com/> http://www.w2agz.com

 

 

 

 

 

 

-----Original Message-----
From: pw_forum-bounces at pwscf.org [mailto:pw_forum-bounces at pwscf.org] On
Behalf Of Sohail Ahmad
Sent: Friday, January 30, 2015 7:48 AM
To: Plane Wave
Subject: [Pw_forum] optical properties

 

Dear All

I wish to calculate optical properties of mono layer of Transition metal di
chalcogenides.

I believe i have to use TDDFPT

i successfully used epsilon.x to calculate imaginary and real part of
dielectric function.

My question is 

how to calculate refractive index, Refelectivity, Absorption coefficient etc
?

can anybody send me the link mentioning step by step or any one would like
to share his experience >

 

Best Wishes

Sohail 

King Khalid University

Saudi Arabia

 

 

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