Md. Atikur Rahman

6 Questions 13 Answers 0 Followers

Questions related from Md. Atikur Rahman

Can anybody help me by providing the atomic position of body centered tetragonal crystal structure of compounds ZnMn2O4 and CoMn2O4?

Can anybody help me by providing the atomic position of body centered tetragonal crystal structure of compounds ZnMn2O4 and CoMn2O4? I need the atomic position(x, y, z) that means the coordinates...

16 January 2021 1,888 3 View

Can anybody tell me how can I find the 2 D and 3 D (D=dimension) figure of Bulk modulus, Shear modulus and Young's modulus using DFT based cals. ?

Can anybody tell me how can I find the 2 D and 3 D (D=dimension) figure of Bulk modulus, Shear modulus and Young's modulus using DFT based calculations.

11 January 2021 9,345 4 View

How I can calculate the spin orbit coupling of a magnetic material by DFT based calculations?

I want to calculate the spin orbit coupling of a magnetic material by DFT based calculations, but I have no idea about this calculation. So please provide a detail information about this.

27 December 2020 4,624 3 View

Can anybody tell me what are the basic concept of Debye Temperature, Phonon, and material's hardness?

Please provide details about these topics.

29 April 2020 8,254 0 View

Is it possible to increase to band gap of a semiconductor with increasing pressure?

I am working on a narrow band gap semiconductor (0.52 eV) using DFT based calculations. In this work, when I am increasing the pressure the band gap is also increasing up to certain pressure, and...

02 April 2020 682 4 View

Is it possible to decrease the Debye Temperature with pressure? If possible why?

Please provide the causes for which the Debye temperatures are decreased with increasing pressure.(we have used DFT based calculations)

24 March 2020 2,780 5 View