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2answers
64 views

Translating Electronic Bands back to first Brilluoin Zone

For phonons, I understand why we can translate everything back into the first Brillouin Zone: there is a minimum wavelength defined by two lattice sites. For electrons, which are delocalized, I see ...
0
votes
1answer
57 views

What are the current carriers in a PN junction?

Imagine a PN junction in forward bias mode. The conventional current goes from the p-side to the n-side. However, as mobile holes move to the n-side, aren't there mobile electrons on the n-side which ...
4
votes
2answers
157 views

For the transition metals, how does counting the number of up-spins and down-spins still give you a non-integer magnetic moment?

The transition metals like Fe, Co and Ni have magnetic moments of 2.2, 1.7 and 0.6 Bohr magnetons, respectively. The band theory says that you get this when you calculate the density-of-states of the ...
2
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1answer
52 views

Metallic and Semiconducting Nanotubes, symmetry discussion

I'm interested in band gaps of Single-walled Carbon Nanotubes (SWNTs). I know that there are three kinds of SWNTs: Zigzag : $(n,0)$ Armchair : $(n,n)$ Chiral : $(n,m)$ Electical properties of ...
1
vote
1answer
50 views

Bandgaps of Silicon and their application in active optical elements

I know that silion has an indirect bandgap at $E = 1.12 \, eV $ or $ \lambda = 1.107 \, \mu m$ and I have read that active optical processes like absorption and emission have a decreased likelihood to ...
1
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2answers
186 views

Why do metals become insulators when oxidized?

I don't know the connection between how forming a new bond with oxygen then changes the density of states to transform the metal into an insulator. It seems like a very powerful transformation.
2
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0answers
54 views

Estimating Energy Bands For Dirac Comb Potential

With $$V = \sum_n aV_0(x-na) $$ I can solve exactly up to $$\cos(k a) = \cos(\kappa a) + \frac{2ma^2V_0}{\hbar^2}\frac{\sin(\kappa a)}{\kappa a} = f(\kappa a)$$ Where $E = \frac{\hbar^2 \kappa^2}{2m}...
0
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0answers
24 views

Choosing a basis state for density functional theory calculations

How do we choose basis set of wave functions for expanding the eigenfunctions of the kohn-sham equations? I mean given a material,what should i look for in order to choose my basis functions?
2
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1answer
62 views

Doped semiconductor: “what if all donated electrons are gone?”

I have trouble understanding conductivity of a n-doped semiconductor in the band theory. I know that donator atoms carry one excess electron that can enter the conduction band easily. If this happens,...
1
vote
1answer
227 views

Relation between band structure, dispersion, density of states, and the Fermi energy and Fermi level

Despite the long title, this question is mostly qualitative (although I am interested in quantitative results if possible). Say you have an electronic band structure (energy as a function of "k") for ...
0
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2answers
152 views

Density Functional Theory (DFT) calculation for metals

Why is DFT not used in calculating electronic structures and properties of metals? I know DFT calculations are not accurate for metallic structures. Can someone explain why?
0
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0answers
29 views

Band structure and k vectors

If there is a restriction on the allowed states (k vectors) for a system, ie the no of states is equal to twice the number of unit cells in the crystal.. why do we plot k continuously on the x axis? ...
0
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0answers
50 views

element effect on quantum dot band gap

Main Question: Why do Au QDs have quantum confinement effects which change optical behavior from the bulk Au, whie certain other elements (such as Fe) are typically not shown to have the same ...
1
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0answers
21 views

Optically access a single valley in indirect semicondutors

An indirect semicondutor has an energetic minimum of its band structure at a point different from the $\Gamma$ point. But, there are multiple of them. Silicon for example has its band minimum at the ...
0
votes
1answer
64 views

Why dopant energy levels differ from one material to another?

Dopant levels in Si, Ge and GaAs are very different from each other. Even "similar" materials such as Si and Ge exhibit different dopant energy levels. (source: Pierret, Advanced Semiconductor ...
0
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1answer
60 views

How can a material be conductive and transparent at the same time?

Transparent conducting films for example. On one hand, the band structure of transparent materials must have a large enough HOMO-LUMO separation. On the other hand, conducting (metallic) materials ...
2
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0answers
93 views

Materials for use in a solar cell

In a solar cell, photons of the incident sunlight supply energy for excitation of electrons - a process which generates electron-hole pairs which can move under the influence of the electric field of ...
1
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0answers
49 views

Band-gap for solids with isoelectronic atoms

Isoelecronic atoms have same number of electrons but different nuclear charge. It is said that many of the chemical properties of these elements are equal or at least similar. Can I form solids with ...
3
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0answers
95 views

What is the effective electron mass in a plasma?

Is there a way to calculate the effective electron mass in plasmas? Effective electron mass is usually defined as varying from the vacuum electron mass in solid state physics. However, momentum ...
2
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2answers
93 views

Do metals *really* conduct at zero temperature?

The questions is mostly in the title, but might expose another of my misunderstanding of the band structure of solids and how that leads to metals and insulators. If we have a solid, and the fermi ...
1
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1answer
163 views

Density of States in NOT Free Electron Gas

I think that I understand how the density of states works for a free electron gas. It is effectively just a conversion factor between summing over values of k and integrating over values of E. If you ...
0
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0answers
36 views

determination of electron dispersion curves

I am somewhat new to quantum physics and I am studying electron dispersion band structures of SiC like the one here I want to know what spectroscopic techniques/methods or if they are spectroscopic ...
0
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2answers
156 views

Density Functional Theory (DFT) tutorial guide

I am going to start learning about DFT calculations. Could anyone advise me the best starting point for that? Simple example guiding tutorial with explanations would be great. Any input would be good....
0
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0answers
36 views

What is the “point” of STM?

Scanning tunneling microscopy (STM) measures density of states (DOS) in a sample. But angle-resolved photoemission spectroscopy (ARPES) measures the bandstructure $E(\mathbf{k})$ in a sample, from ...
0
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0answers
21 views

What is the meaning of band structure in the case of amorphous materials?

A consistent band structure is expected in crystals, because "everything is uniform". Theoretical calculations of band structure are also based on infinite lattice. In amorphous materials, however, I'...
0
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0answers
46 views

How to determine the Fermi energy in Schottky barrier FET(SB-FET) channel?

The structure of Schottky Barrier FET(SB-FET) is almost the same with MOSFET. The difference between SBFET and MOSFET is the contacts change from Ohmic contacts to Schottky contacts. I know the way ...
2
votes
2answers
118 views

how do electrons in 2 separate atoms change its energy level when atoms come close together to form molecule?

The question is just as the title. It's said that electron must receive a specific amount of energy in order to go or drop to another energy level. So how can electrons of separate atoms which have ...
2
votes
1answer
46 views

at $T \approx 0 \, \text{K}$, will all energy levels within the electronic band structure be occupied up to a certain level?

I saw this from the script of my teacher that I don't understand what does it mean If we cool down a crystal to an absolute temperature of T ≈ 0K, all atoms of the crystal will exist at their ...
0
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0answers
92 views

Analysis of a Fermi surface

The following image shows the Fermi surface of Pb, plotted with XCrySDen. I have some difficulties in uderstanding the characteristics of that Fermi surface, in particular how to distinguish the ...
0
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0answers
52 views

what can be the BG and dielectric constant of monolayer MoS2 in semiconducting state (2H) and in metallic state (1T)

Monolayer MoS2 is a semiconductor that can undergo an MIT (Metal to insulator) or semiconducting state to insulating state transition. The semiconducting state is referred as 2H State and the metallic ...
0
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0answers
114 views

Band Structure from Fourier Transform Solution of Dirac Comb

I have use Fourier transforms to solve the Schrödinger equation for an attractive Dirac-$\delta$ comb potential of the form $$ V(x) = -\alpha \sum_{j = -\frac{N}{2}}^{\frac{N}{2}} \delta \left( x - \...
0
votes
1answer
28 views

Silicon parabolic dispersion for X minima

I am constructing a minimal model of the silicon conduction band minima for a monte-carlo program. Assuming the six equivalent bands are parabolic and spherical, since the conduction band minima lie ...
0
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0answers
36 views

Can I use an IV curve alone to differentiate between metallic, semiconducting and insulating materials?

Assuming the size of the bandgap is expressed as resistance in the IV curve, could I tell between metals, semiconductors an insulators by only doing an IV sweep? For example very high slopes (large $\...
1
vote
1answer
50 views

What's the difference between semiconductor and insulator (besides band gap)?

The typical classification of electronic materials is metal-semiconductor-insulator. Is there any actual difference between a semiconductor and an insulator, besides the size of the bandgap?
0
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1answer
143 views

Connection between fermi velocity and mean (square) velocity of diffusion current

Is there any connection between $v_{F}$ and the $<v^{2}_{diff}>$, lets say for electrons in metals? I have come to a conclusion, that they are the same order of magnitude and their equivalence (...
11
votes
3answers
145 views

Why is there a band structure for strongly correlated systems?

The existence of band structure of a crystalline solid comes from the Bloch theorem, which relies on the independent-electron approximation. Why do people still talk about the band structure for a ...
1
vote
1answer
103 views

What is the physical meaning of an electronic system evolving adiabatically through a closed path?

I am trying to understand Physics behind the Weyl Fermion in Condensed Matter Systems. Electrons show Weyl fermionic behaviour in the vicinity of so called 'Diabolical Points' in the band structure. ...
1
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1answer
39 views

How do phonons affect the work function?

How do phonons affect the work function? Could phonons that are directed towards a single atom, such as in a body-centered cubic crystal, increase the amount of thermal excitation and thus decrease ...
3
votes
2answers
172 views

Are there measurable quantities which directly depends on the Fermi velocity?

The dispersion relation of electrons in, for example, graphene exhibits Dirac cones. The dispersion relation of a Dirac point at $\mathbf{k}=\mathbf{K}$ is linear in the momentum magnitude: $$E=\pm ...
0
votes
0answers
37 views

Do the band lines along high symmetry points contain all the information of the first Brillouin zone?

When calculating the electronic structure of solids, one usually plots the band structure along a certain set of paths that connect high symmetry points in the first Brillouin zone(IBZ). I wonder ...
10
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2answers
590 views

Why are band maxima / minima often (always?) at high-symmetry points?

(inspired by this question.) In every semiconductor that I can think of, the valence band maximum and conduction band minimum are at a high-symmetry point in the Brillouin Zone (BZ). Often the BZ ...
1
vote
7answers
2k views

Quantization vs. continuous energy levels

I still don't get what it means for atomic energy levels to be continuous or quantitized (incontinuous). Clearing this up will really help me. Also, can anyone tell me why energy levels in solids are ...
1
vote
2answers
151 views

Conduction bands and Valence Bands, so do electrons really exist in Conduction bands?

My understanding is that conduction bands are energy bands created from the electrons in the valence shells/bands absorbing energy to jump to the next level (is this true)? Now, do the conduction ...
5
votes
1answer
167 views

What is the physics behind “Bulk-edge correspondence”?

There is a frequently mentioned concept in the field of topological insulator called "bulk-edge correspondence" or "bulk-boundary correspondence", which basically gives the relationship between the ...
2
votes
1answer
70 views

DOS integral when surface is not closed

According to the density of states (DOS) formula $$\rho(\varepsilon)\propto \int_{\varepsilon=\text{const}}\frac{dS}{|\nabla_k \varepsilon_k|}$$ Since there is an integral on the constant energy ...
1
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0answers
62 views

DOS behavior of Van Hove singularity in a line

When there are some points in momentum space give $|\nabla_k \varepsilon_k|=0$, they are called Van Hove points and give singularity in the desity of states (DOS). But what if $|\nabla_k \...
1
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0answers
218 views

DOS of Van Hove singularity in 2D square lattice tight binding model

For the simplest example, 2D square lattice tight binding model gives the energy band as $$\varepsilon_k=-2t(\cos k_x+\cos k_y) \, .$$ We know that $\vec{k}=(0,\pi)$ and related momentum points are ...
0
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0answers
34 views

How to get the asymptotic expression of DOS near Van Hove singularity [duplicate]

For the simplest example, 2D square lattice tight binding model gives the energy band as $$\varepsilon_k=-2t(\cos k_x+\cos k_y) \, .$$ We know that $\vec{k}=(0,\pi)$ and related momentum points are ...
1
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0answers
162 views

kp theory of QW band structures in envelope function approximation

I am currently trying to calculate wave functions and energy dispersions for quantum well heterostructures. The kp method is my choice to do that. I already calculated band structures for bulk ...
0
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0answers
133 views

Relation between energy band gap and atomic number

Is there any relation between energy band gap in group4 elements and their atomic numbers? It might be just a trivial observation but I noticed How from Carbon to Germanium the band gap went from 5....