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Questions tagged [effective-mass]

Questions about effective mass.

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7 votes
1 answer
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How does one decide the directions in which they will calculate effective mass?

I have been working on trying to calculate the effective mass in different directions by fitting a parabola to the VBM and CBM and using the fitted parameters to calculate $\frac{d^2E}{dk^2}$. And ...
Chan's user avatar
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6 votes
1 answer
388 views

Effective mass of holes was measured using DFT

Effective mass of holes was measured using DFT. The hole value is different for each band, is there a way to get the average or standard value of this value? It was calculated using the VASP program. ...
Ddung's user avatar
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8 votes
1 answer
82 views

Effective mass convergence

What's the point of using extremely denser k-grid for extracting curvature effective masses? I saw in some publications that they use extremely dense k-grid for band structure calculations for ...
Jeremy's user avatar
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5 votes
2 answers
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Interpretation of effmass module

Currently, I am trying to figure out the effmass module. I'm newly into effective mass stuff and I'm able to run it and generate effective masses. However, I'm facing some trouble understanding it. Is ...
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12 votes
1 answer
502 views

Band structure of Weyl semimetal?

Weyl semimetals are topological quantum materials whose low energy excitations emerges as massles Weyl Fermions. They have a band touching point near the Fermi level called Weyl node. What is ...
walber97's user avatar
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9 votes
1 answer
263 views

Band theory: effective mass and Hall's coefficient

Consider the following scenario. A material has the E-k band scheme as shown in the figure (extended scheme of zones). Could anyone give me a suggestion regarding the following : Electrical character ...
Carlos's user avatar
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13 votes
2 answers
3k views

How to calculate the effective mass from DFT band calculations?

One of the properties used in Solid State Physics, and specially in semiconductor physics, is the effective mass. It can be calculated from the energy dispersion relationship. The simple form, for ...
Camps's user avatar
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