Rana Hossain

5 Questions 21 Answers 0 Followers

Questions related from Rana Hossain

How optical band gap of 'Half-Metallic' compounds are related with Band-structure?

From spectroscopic results it has been seen that Half-Metallic compounds may have optical band gap. Band structures of Half-Metals are overlapped by majority (or minority) spin channel. Now how...

12 December 2017 4,555 4 View

Is it necessary to optimize geometry in DFT calculation, when I have crystal structural parameters obtained from Rietveld refinemnet?

Hello I have performed Rietveld refinement of my sample and calculate band gap from UV-Vis spectra. I am interested to calculate electronic structure by DFT to compare my experimental band gap....

30 November 2017 7,292 15 View

Which form of Kubelka-Munk function should I used to calculate band gap of powder sample?

There are many from of Kubelka-Munk function I have found in literature: 1. F= (1-R)2/2R 2. F= (1-R2)/2R 3. F(hv)= (1-R(hv))2/2R(hv) Again to calculate direct band gap some used (Fhv)2 where some...

11 October 2017 2,763 5 View

Dose Optical Transition (Excitation) from Spin up electronic band to Spin down electronic band is possible?

DearAllI have attache 3 figures of band structure of a Ferro-magnetic material. The difference between VBM-CBM band gap is 1.10 where VBM is for spin down (alpha) electron and CBM for spin up...

14 September 2017 2,927 8 View

How electronic band structure is related to optical absorption & why energy gap is different from optical band gap?

How can I explain optical band gap from electronic band structure? My calculated Electronic band gap (1.3 eV) is different from optical band gap (2.1eV). I have seen in some literatures where they...

08 September 2017 568 5 View