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Questions tagged [semiconductor]

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6 votes
1 answer
110 views

Which software to model Fermi level position of graphene in an external electric field?

I want to model a graphene layer that is sandwiched in a pn junction under bias (the current flows orthogonal to the graphene layer). According to what I've found in literature graphene can be treated ...
kimcheez's user avatar
3 votes
1 answer
116 views

How to interpret defect formation energy diagram?

Why are formation energy diagrams typically plotted as a function of Fermi energy, and how should one interpret the changes in the x-axis before the charge state changes in these diagrams? Figure ...
user avatar
6 votes
1 answer
128 views

Can a material be a conductor in one direction and a semiconductor in another direction?

I know that semiconductors have a band gap, and conductors have bands that cross the Fermi level. However, can a material have a band gap for certain $\vec k$ regions but bands cross the Fermi level ...
Vladislav Gladkikh's user avatar
5 votes
1 answer
123 views

Effect of carrier concentration on electrical conductivity

As per my understanding, the electrical conductivity of a material can be expected to increase with the increased carrier concentration. However, beyond a certain (extreme) point, the electrical ...
PBH's user avatar
  • 2,653
2 votes
0 answers
31 views

Optimal Manufacturing Process for a Device [closed]

I am designing a device that has tiny etched gratings (shown in red) in the silicon substrate, with various structures on either side of it (shown in green). I am wondering what the ideal way would be ...
Jack Jack's user avatar
  • 121
4 votes
1 answer
725 views

Cohesive Energy of a metal oxide

I am trying to calculate the cohesive energy of certain metal oxides. However, I am only able to find a formula that is applicable to systems with a single element (say $\ce{Cu}$ metal or $\ce{Si}$ ...
ansonthms's user avatar
  • 991
3 votes
1 answer
517 views

What does it mean if the Fermi level crosses into the valence band? How about into the conduction band?

Just recently got into DFT and I've been doing a few calculations on my own on Quantum Espresso. I've come up with electronic band structures for materials that I've been looking at and I was hoping ...
tumblewush's user avatar
2 votes
0 answers
134 views

How would surface state affect the band gap value of semiconductors? [closed]

I am struggling to figure out the relationship between bandgap value and surface states. To my understanding, when considering the material that includes surface, there would be some surface states in ...
Jack's user avatar
  • 2,067
6 votes
1 answer
623 views

Fermi energy lower than valence band maximum?

I am trying to analyze the density of electronic states of a $\ce{TiO2}$ slab, but the result I got from VASP shows the fermi energy is lower than the valence band maximum (VBM) by a small energy ...
Jack's user avatar
  • 2,067
6 votes
0 answers
83 views

Validity of estimating electron relaxation time using the smallest cross section of a structure [closed]

I am studying nano-scale constrictions in semiconductor materials. Imagine two nano-particles joined together by a single point of crystalline contact to look like an hour-glass filled with sand. ...
PBH's user avatar
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