How do you think, direct energy band gap or indirect energy band gap? I think you have your answer already. Transitions in Indirect band gap require phonon while direct band gap doesn’t.
********************************************************************** Dr. Khuong P. Ong Senior Scientist Functional Material (team leader) Materials Science & Engineering Department Institute of High Performance Computing 1 Fusionopolis Way, #16-16, Connexis, Singapore 138632 Mob: +65. 81885057 Tel(Off): +65. 64191566 Fax: +65. 64632536 ********************************************************************* From: wien-boun...@zeus.theochem.tuwien.ac.at [mailto:wien-boun...@zeus.theochem.tuwien.ac.at] On Behalf Of Dr. K. C. Bhamu Sent: Thursday, 29 January, 2015 9:11 PM To: A Mailing list for WIEN2k users Subject: Re: [Wien] (no subject) Dear Wien2k User I am still waiting for my question. The question is that "If a compound shows two band gaps, direct and indirect then which one should be compared with optical/experimental band gap?" regards Bhamu On Fri, Jan 9, 2015 at 10:56 AM, Dr. K. C. Bhamu <kcbham...@gmail.com<mailto:kcbham...@gmail.com>> wrote: Dear Wien2k Users Optical band gap of a ternary compound is 3.5eV and by theoretical calculations its showing two band gaps direct and indirect around 2.1 and 3.2 eV, respectively. Which band gap I should use to compare with optical value? regards Bhamu _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at<mailto:Wien@zeus.theochem.tuwien.ac.at> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
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