Movatterモバイル変換

Question 1

0votes

0answers

32views

How to calculate transition dipole moment computationally? [closed]

Interested to calculate TDM of a molecule in the presence of a dielectric. What is the go-to way right now in research circles?

Gourav Kumar Tanti

91

asked2 days ago

Question 2

1vote

0answers

52views

Deriving the Boltzmann equation [closed]

In classical mechanics, the space of states is the cotangent bundle of configuration space. This space of states is also called phase space. In the physical case where phase space represents all ...

Silly Goose

4,113

asked2 days ago

Question 3

2votes

2answers

118views

Free Electron theory and fermi surface

I am trying to figure out following statement:For noble metals, the free-electron picture would predict that the Fermi sphere does not reach the boundary of the first Brillouin zone. In reality, ...

Syntax

21

askedNov 24 at 14:30

Question 4

1vote

0answers

76views

Is it truly possible to adiabatically achieve the flat band limit?

The conditions for adiabatic evolution is that for every possible $n$, we must have$$ \sum_{n\neq m}\frac{\langle n(t) | \dot{H} | m(t) \rangle }{E_n(t)-E_m(t)} \to 0$$which is achievable either by ...

Ilya Iakoub

392

askedNov 18 at 20:49

Question 5

1vote

1answer

44views

Why are there no $\rm Si$ $3p$ peaks in XPS spectra of Silicon?

In XPS spectra of Silicon we only see $\rm Si$ $2s$ and $\rm Si$ $2p$ peaks. Why no $\rm Si$ $3s$ or $\rm Si$ $3p$ peaks? Silicon has electrons in both the $3s$ and $3p$ orbitals that could be emitted ...

McQuanta

41

askedNov 16 at 1:23

Question 6

4votes

1answer

215views

Why is graphite a good diamagnet?

Most metals are paramagnetic because metals have a lot of unpaired electrons. While carbon is a nonmetal, because graphite has a lot of unsaturated bonds, those pi electrons can move freely just like ...

哲煜黄

2,491

askedNov 15 at 11:41

Question 7

0votes

1answer

35views

Non-spin factor of 2 when working with density of states

I'm trying to follow the math in an old paper discussing the electrical characteristics of niobium. The paper skips over a fairly simple substitution/unit conversion:Here, $\rho_i$ is the intrinsic ...

gspahn

3

askedNov 15 at 0:39

Question 8

1vote

2answers

128views

What is the mechanism behind the Curie point in ferromagnets?

I just finished up a uni course on magnetism, which mostly made sense, but I've been left with some questions about ferromagnetic behaviour; in particular, I'm not satisfied with my lecturer's ...

Charlie P

13

askedNov 13 at 23:58

Question 9

1vote

0answers

63views

Deriving the full crystal Hamiltonian from a Lagrangian density

I'm trying to understand the connection between field-theoretic Lagrangians and the standard Hamiltonians used in solid-state physics. In particular, consider a full crystal Hamiltonian of the form:$ ...

Community wiki

2 revs, 2 users 100%
Michiel

Question 10

2votes

1answer

85views

What is a $k$-point physically — beyond its use in computational methods? [closed]

To my understanding, a $k$-point (or wavevector) is a point in reciprocal space that can be used as the “spawning” point of plane waves. These plane waves are then used as a basis set to describe a ...

joerivan

21

askedNov 13 at 13:59

Question 11

0votes

1answer

38views

Dipole moment operator and $C_{1h}$ point group symmetry

Why does the dipole moment have to be perpendicular to the mirror plane in systems with $C_{1h}$ point group symmetry? I am trying to understand the dipole emission of point defects in solid-state ...

foghorn

1

askedNov 5 at 17:43

Question 12

1vote

0answers

50views

Berry connection and velocity operator for tight binding models

I have a question about how the Berry connection and the velocity operator are computed in continuum models versus in tight-binding models. Let me start with my understanding of the definitions in ...

VerwirrterStudent

71

askedNov 5 at 13:49

Question 13

1vote

1answer

224views

Stopping criteria for Self-consistent calculations

I am currently doing self-consistent calculations for various parameters $\Delta_{i}$, but i run into the problem that I have a U(1)-symmetry break, so when I reach the minima my simulations start ...

JVB

13

askedOct 31 at 6:39

Question 14

0votes

1answer

66views

Simple explanation of the de Haas van Alphen effect

The de Haas van Alphen effect can be summarized as finding peaks in the density of states evaluated at the Fermi energy of a metal at regularly spaced intervals as a function of $1/B$. What's a simple ...

Silly Goose

4,113

askedOct 31 at 1:10

Question 15

0votes

0answers

69views

Why can I have these 2 boundary condition in Kronig-Penney Model?

I am reading Wahabs book for solid state physics, he considers the potential shown in image attached. I understand first two boundary conditions from QM. But where are the other two coming from?

GotFried69

49

askedOct 29 at 13:25

Movatterモバイル変換

Stack Exchange Network

Questions tagged [solid-state-physics]

How to calculate transition dipole moment computationally? [closed]

Deriving the Boltzmann equation [closed]

Free Electron theory and fermi surface

Is it truly possible to adiabatically achieve the flat band limit?

Why are there no $\rm Si$ $3p$ peaks in XPS spectra of Silicon?

Why is graphite a good diamagnet?

Non-spin factor of 2 when working with density of states

What is the mechanism behind the Curie point in ferromagnets?

Deriving the full crystal Hamiltonian from a Lagrangian density

What is a $k$-point physically — beyond its use in computational methods? [closed]

Dipole moment operator and $C_{1h}$ point group symmetry

Berry connection and velocity operator for tight binding models

Stopping criteria for Self-consistent calculations

Simple explanation of the de Haas van Alphen effect

Why can I have these 2 boundary condition in Kronig-Penney Model?

Hot Network Questions

Subscribe to RSS