[Wien] (no subject)

[Dr. K. C. Bhamu]

Thank you very much Prof Blaha and Prof Khuong.

regards
Bhamu



On Thu, Jan 29, 2015 at 9:56 PM, Peter Blaha <pblaha at theochem.tuwien.ac.at>
wrote:

> An optical band gap is usually a direct band gap (You can't change the
> momentum of the electron by photons, only if they are coupled to phonons
> too).
>
> The "experimental" gap can be both, the fundamental (maybe indirect) or
> the optical gap, this depends if the "experimental gap" was measured
> optically or by photoemission/inverse PE.
>
>
> On 01/29/2015 02:11 PM, Dr. K. C. Bhamu wrote:
>
>> 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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> --
>
>                                       P.Blaha
> --------------------------------------------------------------------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
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