[Wien] (no subject)

[Ong Phuong Khuong (IHPC)]

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.

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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
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From: wien-bounces at zeus.theochem.tuwien.ac.at [mailto:wien-bounces at 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 <kcbhamu85 at gmail.com<mailto:kcbhamu85 at 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

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