What could be causing my discrepancies?

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SUMMARY

The discussion centers on discrepancies encountered while reproducing the Kronig-Penney E-k diagram. The user has plotted the function f(αa) and is attempting to correlate allowed energy values with k values, but is facing issues with the regularity of the graph and the absence of allowed states below k=0.6. The user suspects potential calculation errors regarding k, defined as √(2mE/ħ²), and suggests that the software used, OpenOffice/MS Excel, may not handle precision calculations effectively. Recommendations include experimenting with the potential strength P and considering alternative software for improved accuracy.

PREREQUISITES
  • Understanding of quantum mechanics, specifically the Kronig-Penney model.
  • Familiarity with the mathematical function f(αa) and its implications in energy calculations.
  • Knowledge of wave vector k and its relationship to energy in quantum systems.
  • Experience with graphing software and precision calculations in scientific contexts.
NEXT STEPS
  • Explore advanced graphing tools such as MATLAB or Python's Matplotlib for precision plotting.
  • Investigate the impact of varying the potential strength P on the E-k diagram.
  • Review the mathematical derivation of k from energy to ensure accurate calculations.
  • Study the implications of band gaps in the context of the Kronig-Penney model.
USEFUL FOR

Students and researchers in quantum mechanics, physicists working on solid-state physics, and anyone involved in computational modeling of electronic band structures.

enaj
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Homework Statement



reproduce the kronig-penney E-k diagram (nothing more specific than that)

Homework Equations


f([tex]\alpha*a[/tex])=P*SIN([tex]\alpha*a[/tex])/([tex]\alpha*a[/tex])+COS([tex]\alpha*a[/tex])
where P is the strength of the potential (I've assumed that it's 3[tex]\pi[/tex]/2)
and -1<=f([tex]\alpha*a[/tex])<=1

The Attempt at a Solution


so far I've plotted f([tex]\alpha*a[/tex]), and as far as I can tell it looks right. But when I try to plot the allowed energy values from that graph against the k values, I get a graph that's a little too regular (though it does have band gaps) and it has no allowed states below ~k=0.6
I may be calculating k wrong. As I understand it, it's equal to the square root of the the energy from the graph of f([tex]\alpha*a[/tex]), since I'm using [tex]\alpha*a[/tex] as my variable, which is related to energy in the same way k is: [tex]\sqrt{ 2mE/\hbar^2}[/tex]

I've attached the graphs I have so far (the spreadsheet I used to calculate them is much too big).

Can anyone see where I might have gone wrong? I've replotted this many times and I can't seem to find it.
 

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My guess is that your software isn't capable of handling precision calculations. I'd recommend using another program, rather than OpenOffice/MS Excel.

As far as the graphs go, they look more or less right; though that non-existence of states below k=0.6 is a little strange--have you changed your value of P to see what effect that has on the graph?
 

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