Very hard to understand. Minimum point is this, dispersion is high, something is beautiful as well. How and why? Can you explain how brillouin zone gives rise to band structure? Thanks in advance
@@chaudry123 I'm NOT an expert in material science or solid state physics. I'm just an undergraduate working with my professor who IS an expert in computational solid state physics, so keep that nuance in mind. As part of our research, we calculated the band structure of Mn2RuGa using an fcc lattice (and so it has the identical Brillouin zone as the one shown in this video). We used density functional theory (DFT) which uses the Kohn-Sham equations as a basis to calculate the ground state of the system. Logistically, there is a lot that goes into this program, but essentially we get for each k-point in our mesh the allowed energy bands. Then, for plotting purposes, we can choose certain bands to plot the dispersion along our crystal momentum directions. For example, we obviously want to ignore core electrons. We used a system size of 48x48x48 and plotted the dispersion along G-x, G-L and G-x' (G-x' being from gamma point to the point on the square bragg plane intersected by the k_z axis). I'm not an expert, so I can only tell you that this is how we do it. There may be other ways. My suspicion is that this is probably one of the only feasible methods of getting such detailed band structure plots for real materials, but take my opinion with a grain of salt. Hope this helps. If you're interested and you have a decent background in physics and chemistry, I would recommend you look into the basics of DFT to learn more. It's an interesting method and I'm sure I'll see more of it in my future lollll
Could you please show how we can calculate effective mass from band structure? especially when the maximum valence band and minimum conduction band are at k=0?
Had to click seeing the dortmund kit ...glad it was also on the topic in which I was interested :)
I always noticed that the points (111) became (Kx=Ky =Kz=pi/a) Is there a rule for transferring them...? please
Very hard to understand. Minimum point is this, dispersion is high, something is beautiful as well. How and why? Can you explain how brillouin zone gives rise to band structure? Thanks in advance
How this plot comes into being on the basis of BZ?????
Is there any emperical equation that gives ris to band structure plot?
@@chaudry123 I'm NOT an expert in material science or solid state physics. I'm just an undergraduate working with my professor who IS an expert in computational solid state physics, so keep that nuance in mind.
As part of our research, we calculated the band structure of Mn2RuGa using an fcc lattice (and so it has the identical Brillouin zone as the one shown in this video). We used density functional theory (DFT) which uses the Kohn-Sham equations as a basis to calculate the ground state of the system. Logistically, there is a lot that goes into this program, but essentially we get for each k-point in our mesh the allowed energy bands. Then, for plotting purposes, we can choose certain bands to plot the dispersion along our crystal momentum directions. For example, we obviously want to ignore core electrons. We used a system size of 48x48x48 and plotted the dispersion along G-x, G-L and G-x' (G-x' being from gamma point to the point on the square bragg plane intersected by the k_z axis).
I'm not an expert, so I can only tell you that this is how we do it. There may be other ways. My suspicion is that this is probably one of the only feasible methods of getting such detailed band structure plots for real materials, but take my opinion with a grain of salt.
Hope this helps. If you're interested and you have a decent background in physics and chemistry, I would recommend you look into the basics of DFT to learn more. It's an interesting method and I'm sure I'll see more of it in my future lollll
Could you please show how we can calculate effective mass from band structure? especially when the maximum valence band and minimum conduction band are at k=0?
E=1/2*mv^2=p^2/m=h^2*k^2/2m, so d2E/dk2(second derivative of E to k)=h^2/m, thus we get m
It would be nice to start with a physic explaination before moving to particular examples...
Is this Jurgen Klopp?
Dortmund