Effective mass calculation by computing band structure curve

From this video we can learn calculation effective mass through the band structure by curve fitting numerical method.
Band structure is calculated using Quantum Espresso code.
@dtutu.98
If you interest in this field please reach me through the above insta link.

[@asaralo75]

Clear explanation. Easy to understand. Thank you sir.

[@hashtagpeace]

Very helpful, thankyou for this video sir!!

[@chandanshukla3466]

Nice explanation

[@savitagrewal3243]

hlo sir , sir in last how to choose single value of mh or me. from which we subtract it. plz clear. i will be thankful .

[@kaushiksantosh]

Sir at how to calculate effective mass of hole at gamma point ? For hexagonal system I have calculated effective mass of hole for strain applied . my max value of vbm is at gamma point . when i calculated effective mass of hole , it comes to be 4.21 by the method suggested in this video. So how to calculate in this case sir?

[@domel787]

Thank you so much sir for such informative tutorial.... Sir my question is that how can we calculate effective mass in case of hexagonal structure???? Thanks

[@tutumonidoley4372]

This is the case of hexagonal structure. The first reciprocal lattice space of hexagonal structure is Gamma-M-K-Gamma.

[@domel787]

@@tutumonidoley4372 Thank you so much sir. Sir one thing is at 3:20 you multiplied k values with 2pi and lattice parameters.... Sir your sample is cubic... If sample or compound is hexagonal then how can I do this step? Thanks

[@tutumonidoley4372]

@@domel787 what ever be the sample no matter, first we need to plot band structure. So band structure will be plotted according to the their crystal lattice, then just need to take some points from band structure plot and so on

[@domel787]

@@tutumonidoley4372 Sir thanks a lot. Sir for holes we should take valence band minima or valence band maxima???

[@tutumonidoley4372]

@@domel787 electron--> conduction band minima. Hole-->valence band maxima.

[@SuperArc15]

How the energies near the CBM changed to around 5 eV in the abstracted points at 2:40, as looking at the band structure of MoS2 near the CBM, values are very much different. Could you please clarify this?

[@tutumonidoley4372]

@@SuperArc15 value may resultant of calculation. You may refer calculation procedure or previous videos also. Thankyou

[@user-wj7ik3cp6x]

how can you the calculate the effective mass in non-parabolic bands, what is the formula for non-parabolic fit

[@user-mh7jg4ew7s]

if your lattice parametter is not same exemple a b and c is not same ; witch do you takes

[@ashrafabdelrahman1358]

Hi, why did not you fit directly to the second order polynomial and get the parameter?

[@gesi5486]

How to get lattie parameters. I didnot get that. please explain it.

[@williamsolusegun8913]

Please, what program was used to abstract the data point from the quantum espresso calculated band structure? And can I get it on Linux Mint?

[@tutumonidoley4372]

I think you will get a file that simulation result file from quantum espresso that is plot for band structure, not required program to extract. In Linux we can do all this stuff.

[@williamsolusegun8913]

@@tutumonidoley4372 How? Please, can you do a video on it?

[@williamsolusegun8913]

​@@tutumonidoley4372 Thank you for your time. I am working on calculating the charge carrier mobility of a material and i have used quantum espresso to plot the band structure but i am unable to extract the data to calculate the effective mass. Please, can i get an email to reach you?

[@wien2khelp459]

how did you plot band structure in origin

[@muhammadsherazkhan2903]

How to get lattie parameters. I dont understand that points. please

[@HindKeddari]

How do we select (a) please