Thank you sir for your kind response. My system is a metallic one where the Fermi energy sifted towards conduction band due to doping. For details here I am attaching the band structure. Do you think should I include drude term? Kindly guide me to chose relaxation time for my system.
I am waiting for your suggestion. Thanks in advance. Sincerely Barnali On Wed, Feb 17, 2016 at 6:02 PM, <saul...@iitk.ac.in> wrote: > barnali, > drude term is to included only when a band/bands cut the fermi energy...for > metals,semimetals......if you have an energy gap then you have only > interband contributions..no drde term. > s.auluck > > > Respected SIESTA users (Marty Blaber) > > > > I am calculating the optical properties of a graphene like 2D sheet > > using > > SIESTA 3.2. The band structure confirms its metallic nature and the > > *.EPSIMG (was generated after optical calculation) shows W_p is > non-zero, > > i.e. W_p =0.0013. As I know that the drude term is to be included for > > metal, now my queries are - > > For calculating optical properties using optical.f should I include > > drude term? > > Is it necessary to include drude term for my system? If it is necessary, > > then how can I choose relaxation time? I will be grateful if anyone > > guide > > me to choose relaxation time for graphene like 2D sheet? I am waiting for > > any response. > > > > Thanks in advance. > > > > Sincerely > > Barnali Bhattacharya > > Ph.D. Student, > > Assam University, Silchar, India > > > > > -- > Prof. Sushil Auluck Phone:+91-512-6797092/6148 > Department of Physics +91-512-6798177(Home) > Indian Institute of Technology Cell :+91-9305548667 > Kanpur 208016 (UP) Fax :+91-512-6790914 > India E-mail:saul...@iitk.ac.in > ...............................................:saul...@gmail.com > http://www.iitk.ac.in/phy/People/phy_facvis.html > http://www.iitk.ac.in/phy/New01/profile_SA.html > http://www.iitk.ac.in/phy/index.php/people/faculty > > http://www.iitk.ac.in/phy/index.php/people/faculty/12-people/faculty/profile/88-sushil-auluck > ....................................................................... > ~ >
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