-2
votes
0answers
15 views

Generate unit cell from space group

I am trying to make a code to generate primitive unit cell. I have the space group and coordinate of inequivalent sites and lattice parameters. I want to generate the primitive unit cell from that. ...
1
vote
0answers
17 views

Pseudocubic unit cells: how to construct one?

I keep coming across the term pseudocubic unit cell while reading about orthorhombic perovskite structures. No clear explanation ...
2
votes
0answers
19 views

How can one reasonably theoretically model polycrystalline materials?

Many techniques are taught in advanced solid state courses but they are almost all derived for perfectly crystalline materials. For example, band structure really only appears theoretically when you ...
1
vote
1answer
30 views

Why can't a dislocation terminate in the bulk?

We are told that they can only terminate on surfaces, grain boundaries or other dislocations but we are not told why they can't terminate inside the crystal.
1
vote
1answer
41 views

What does (001) Silicon mean?

If someone gives me a thin film of Si, and they tell me it's (001) Si, does that mean that the (001) planes of Si are the ones making up the surface of the film?
0
votes
0answers
20 views

How can I get the lattice constant of a salt?

This is probably a very dummy question, but I am not able to solve it on my own. Given that the radius of $Li^+$ ions is 76 picometers, and the radius of $F^-$ is 133 pm, I would expect the size of a ...
0
votes
1answer
42 views

Translation invariance in crystals

Context: solid state physics - dynamics of atoms in crystals. Coupling constants are defined as: \begin{align*} \frac{\partial^2\Phi}{\partial r_{nai}\partial r_{mbj}} = \Phi_{nai}^{mbj} ...
0
votes
0answers
18 views

How to derive the exponential distribution for the Pool-Frenkel effect?

For the Pool-Frenkel effect, the external electrical field $E_{ext}$ reduces barrier by a potential energy amount $U_{ext}(r_{m})$, where $r_{m}$ is the distance maximizing the total potential enrgy ...
0
votes
1answer
116 views

Overview and doubts about Bloch's theorem and the concept of partial density of states

So I have a large confusion with QM as applied to solid state. The following is a summary of what I know, what I think I know, and what I know I don't know. I hope to stir a discussion that will help ...
1
vote
2answers
126 views

Bloch wave function orthonormality?

there is this text book that is giving me a hard time for a while now: It shows that Bloch wave functions can be written as $$\Psi_{n\vec{k}}\left(\vec{r}\right) = \frac{1}{\sqrt{V}}e^{i\vec k \vec ...
0
votes
1answer
251 views

Interpretation Born-Von Karman boundary conditions

The cyclic Born-Von Karman boundary condition says that if we consider a one dimensional lattice with length $L$, and if $\psi(x,t)$ is the wavefunction of an electron in this lattice, then we can say ...
0
votes
0answers
97 views

Interpreting a Hamiltonian in terms of 'hopping' operators

I am having some trouble interpreting a Hamiltonian in terms of "hopping" operators. The Huckel model for nearest neighbour interaction in graphene is given by $$H=-t\sum_\vec{R}|\vec ...
4
votes
1answer
137 views

Anisotropic refractive index with isotropic components?

In relation to my question here I wanted to make sure that my physical argument was not flawed. Anisotropic properties, (especially refractive index) is characteristic of a well-ordered solid ...
3
votes
1answer
130 views

What determines Phonon - Phonon collisions?

I was in Solid State Physics lecture yesterday and we BRIEFLY went over what causes phonons to collide with one another. Things such as crystal imperfections, boundaries, Temperature, but I was ...
1
vote
0answers
69 views

Is there a derivation of all possible Bravais lattices in 2D and 3D?

Do any of you know a (possibly elegant) derivation of all possible Bravais Lattice and the Crystallographic Group of Lattices in 2 and 3 dimensions? Group theory /abstract nonsense approaches are ...
1
vote
0answers
144 views

How to demonstrate that there are just 14 types of Bravais lattice?

Is it possible to demonstrate that there are just 14 types of Bravais lattice without the knowledge of group theory?
4
votes
2answers
233 views

Why do some things crystallize? (And others don't, for that matter.)

Ice, for example, will form a crystal when frozen under certain circumstances. Why is this the case for ice? While on the subject of water crystallization, why do snowflakes usually form in base 6 ...
3
votes
4answers
126 views

Molecule vs Crystal

Feynman mentions in his lectures: ...the concept of a molecule of a substance is only approximate and exists only for a certain class of substances. It is clear in the case of water that the ...
1
vote
3answers
96 views

Should a polyatomic crystal behave similarly to the bulk of each/either of its constituent elements?

Generally, metals are usually fairly conductive, but their oxides aren't. I know conductivity is just one attribute, but in general, should you expect a, say, diatomic bulk crystal's properties to be ...
3
votes
1answer
104 views

Do indirect optical transitions “cool” the material a little?

So I'm reading in Ashcroft and Mermin about indirect optical transitions: So, a photon comes in, and it only excites the electron across the indirect band gap if a phonon with the appropriate wave ...
2
votes
0answers
65 views

The boundary between polycrystalline and crystalline

My current understanding of solid crystalline-like materials (please correct me if I'm wrong!) is that it is a continuum in terms of crystallinity, from amorphous (basically no periodicity) to single ...
0
votes
0answers
24 views

What is space charge polarizibility?

There are not available article in net about space charge polarizibility? Anyone have idea about it that with the derivation of space charge polarizibility?
1
vote
1answer
111 views

What does the wavevector $\textbf{k}$ mean?

In Ashcroft, Mermin Solid State Physics, Eq. 17.43 is $$ \epsilon(\textbf{k}) = \frac{\hbar^2 k^2}{2m} - e\phi(\textbf{r}) $$ where $\textbf{k}$ is the wavevector and all other symbols have their ...
1
vote
1answer
186 views

If my lattice has an atomic basis, do I also find the reciprocals of the basis vectors to get the reciprocal crystal structure?

That is what my crystal structure looks like. The blue atoms sit on every lattice point (basis vector of $\{0,0\}$) and the red atoms have basis vector of $\left\{{2\over3},{1\over3}\right\}$. The ...
2
votes
1answer
96 views

Is this 2D structure triclinic?

The only rotation axis obvious to me is rotation by 360 degrees, the identity. Vertical mirror planes I've been dicing and cutting it through several planes and I still see none. Yet, the structure ...
1
vote
1answer
182 views

What would be the basis vectors for this 2D crystal structure?

In the above image, I have a 2D crystal structure. The lattice vectors are described by: a = {-1/2, -Sqrt[3]/2}; b = {1, 0}; and the location of atoms A and B ...
2
votes
3answers
1k views

What is the difference between lattice vectors and basis vectors?

Google has not been very useful in this regard. It seems no one has clearly defined terms and Kittel has too little on this.
2
votes
2answers
184 views

I can't figure out crystal planes with negative intercepts

As seen above, I don't follow how you figure out those planes. It seems they're not using the origin labeled. I'm not really sure I understand spatially what's going on in the left figure so let's ...
1
vote
1answer
77 views

To which real densities do carrier densities in the semi-classical model of a crystal correspond?

In the semi-classical model of a crystal in solid state physics, electrons and holes are assigned effective masses that account for their different mobilities. E.g. in silicon, holes have a bigger ...
3
votes
1answer
179 views

Algorithm for identifying planes in a Bravais Lattice

I have a lattice with Lattice Vectors $(\vec{t}_1,\vec{t}_2,\vec{t}_3)$ which are NOT orthogonal in general. How can I identify the atoms/unit cells that belong to a plane - that is normal to a given ...
2
votes
1answer
74 views

Estimate the difference between two sets of atoms

I've been working on amorphous structures derived from a crystalline one (using MD) containing $N$ atoms. I want to prove that these structures are different and to quantify their "differentness". One ...
3
votes
2answers
730 views

Crystal visualization software for visualizing lattice with reciprocal vectors drawn in same image [closed]

I'm looking for a free crystal visualization program, preferably for Linux, that can visualize the common lattice structures in 3D interactively (rotatable with mouse) and draw in the same picture the ...
2
votes
0answers
118 views

Crystal momentum and the vector potential

I noticed that the Aharonov–Bohm effect describes a phase factor given by $e^{\frac{i}{\hbar}\int_{\partial\gamma}q A_\mu dx^\mu}$. I also recognize that electrons in a periodic potential gain a phase ...
3
votes
0answers
33 views

Are there any electro-optic crystals that are also pyroelectric but not birefringent?

As the title says, a crystal that is electr-optic and pyroelectric can it be non-birefrigent?
3
votes
1answer
231 views

What is crystal field anisotropy or effect ? It forces the magnetic moment to point in particular local direction..

Can you give a basic explanation of what is crystal field anisotropy ? What is the reason to arise ? In spin ice it forces the dipoles to point in the local 111 direction. For partially filled rare ...
2
votes
0answers
149 views

Discrete sum over an exponential with imaginary argument, considering only every second lattice site?

Let's say I sum an exponential function $e^{\imath \left(k-k^{\prime}\right) x_{i}}$ over a chain system where every member of the chain is of the same type, e.g., A-A-A-...-A-A (total of N sites) ...
1
vote
2answers
361 views

4 digit Miller Index for a cubic structure?

As the title states, can a Miller index for a cubic structure have 4 digits? If I have a structure with intercepts (2,8,3) on the x-y-z axes respectively, the following Miller index would be (12,3,8), ...
3
votes
2answers
634 views

Madelung constant list (for surfaces as well)

Searching for this on google proved to be quite tedious, but I reckon that someone working with crystals a lot might know this off the top of his head: Is there a good source that lists the Madelung ...
3
votes
1answer
439 views

Nature of tetragonal distortion in Jahn-Teller effect

I am wondering: If I have a regular octahedron as my starting point, oriented along the x-y-z axis, and now Jahn-Teller suggest I elongate or compress along the $z$-axis, what happens along the other ...