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Double groups in Crystallography

I'm currently studying double point groups and their applications in condensed matter physics. Let me start by giving you the definition of the double group that is used in my textbook: Let $G$ be a ...
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9 views

Estimate Uncertainties in Rietveld Refinement

I have the output of an x-ray diffraction experiment made on a thin film. Here I report the output of the experiment (I analyzed those data using powdercell and coloured regions have been excluded ...
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92 views

How to prove Bloch function is periodic in reciprocal lattice?

How to prove Bloch function is periodic in reciprocal lattice? I saw in some textbooks this formula: $$ \Psi_{\mathbf{k}} (\mathbf{r}) = \sum_{\mathbf{G}} ...
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2answers
35 views

Notation in crystallography

I'm trying to comprehend the proof that for a crystal with translational symmetry only 1,2,3,4 or 6 rotational axes exist. The proof I'm trying to follow however uses a weird notation I haven't seen ...
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2answers
97 views

How many are the points which are $n$th nearest to a certain point in a hexagonal lattice

Suppose there are infinite points arranged as hexagonal lattice. The question is the one as the title. First we choose a point called $A$. Then when we count the $n$th nearest points to $A$, what ...
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1answer
139 views

Point group symmetries and unit cell

I was wondering if the unit cell (of a given lattice) had to have every point group symmetries of the lattice it defines ? I guess there is no unique way to define a unit cell and that it may not have ...
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126 views

Lattice geometry and dispersion relation

Is there a general theorem which gives some information about which influence have the lattice geometry (for example sub-lattice structure, square lattice, honeycomb lattice, lattice symmetries, ...) ...
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11 views

How do you reduce a monkhorst pack mesh onto the irreducible brillouin zone using crystal symmetry operations?

How do you reduce a Monkhorst-Pack mesh onto the irreducible Brillouin zone using crystal symmetry operations? How can the star of a reciprocal space point be determined? A reference and/or an ...
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30 views

How is the irreducible Brillouin zone for an arbitrary crystal structure determined?

If one knows the atomic positions and the lattice basis vectors, as is required for any density functional theory calculation input, how can the irreducible Brillouin zone be determined? Thanks!
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1answer
28 views

How can crystal symmetry operations be used to reduce the number of unique properties of a solid?

Can anyone please give an example or a reference which shows how crystal point groups and symmetry operations can be used to reduce the number of parameters describing the property of a crystal, ...
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1answer
263 views

Reciprocal Lattice of a non-bravais lattice

Is a reciprocal lattice defined for non-Bravais lattices? I'm trying to work out one for HCP structure and not figuring it out.
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2answers
185 views

Bragg diffraction and lattice planes

Crystalline substances show, for certain sharply defined wavelength and incident directions, very sharp peaks of scattered X-ray radiation. From the illustration below we see that we get constructive ...
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1answer
181 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 ...
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136 views

Software to calculate and visualize reciprocal lattice

I am currently preparing XRD experiments for an epitaxial thin film on a silicon wafer. I am looking for software (Win oder Mac) to calculate the reciprocal lattice from the cell parameters and ...
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1answer
128 views

Structure factor of crystals (X-ray crystallography)

How can one prove that the degree of each node in a distance graph must be at least four in order to obtain a unique solution to an exact distance geometry problem with sparse distance data? The ...
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1answer
135 views

Difference in electrons excitation in Au (111) between perpendicular and diagonal orientation?

In Au (111) single crystalline as shown in attached file, is there a difference the way electrons are excited when they are excited from perpendicular and diagonal orientation as shown in the figure ...
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1answer
209 views

Atomic nearest neighbor notation

I recently got a correction to a paper that I am writing. The correction references a section in which I talk about nearest neighbors. The comment says: Do you mean NN, NNN, etc., or NN, 2NN, 3NN? ...
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1answer
14 views

Dispersion in crystall for a random direction

Lets say one get a dispersion of electrons or phonons from this website: http://www.matprop.ru Usually dispersion in particular directions is drawn: as for wurtzite crystall it is A to L, L to U and ...
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1answer
18 views

How to experimentally identify the exposed face of a crystal?

After depositing a material (e.g, TiO2) on a substrate, what methods can I use to check whether the material is crystalline, and what face (e.g, 001, 101, etc..) of the crystal is exposed?
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124 views

Coordinate system for crystallographic groups

In the International Tables for Crystallography for each crystallographic group an asymmetric unit is supplied (mathematicians call this a fundamental domain of the group). This region is a bounded ...
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5k views

How to make a single crystal silicon wafer?

How can I make a single crystal silicon wafer? What are the tools needed? What is the most diffcult part? Can I make it at home or at school lab? I am now interested on Czochralski process where you ...
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1answer
18 views

Deformation in the nematic phase of a liquid crystal survived in solid state

Does anyone know if I cool a liquid crystal with a deformed nematic phase quickly it will preserve the deformation in the crystal lattice? I didn't never see that in classical books on liquid ...
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38 views

Energy Oscillations in a One Dimensional Crystal?

Can anyone help me find articles on similar topics "Energy Oscillations in a One Dimensional Crystal" (I have links to one article on this subject)? article, that I have Especially interested in ...
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14 views

Reciprocal Plane diagram of body-centered cell?

I was reading that the reciprocal lattice of a body-centered cell (BCC) is simply the face-centered cell(FCC), right? Would each of the reciprocal lattice vectors be the FCC lattice vectors, but with ...
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38 views

Four dimensional Bravais lattice

I am wondering if there are any reference on four dimensional Bravais lattice and their primitive vectors, even an example will help.
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1answer
77 views

The proof of a discrete Fourier identity in quantum field theory

On page 25, in the book Quantum Field Theory for the Gifted Amateur by Tom Lancaster and Stephen. J Blundell, it states the following: We impose periodic boundary conditions forcing ...
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21 views

Any good reference on crystal optics?

I am primarily interested in the birefringence phenomenon. Any good reference? I want something above the general physics level.
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14 views

Why are reciprocal lattice vector periodic, and time-frequency not?

k-space vectors are related to each other by $k=k'+G$, where $G$ is the reciprocal lattice vector $G=2\pi/a$. This means that the frequency of oscillation in real space of a plane wave $e^{ikx}$ is ...
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48 views

Definition of Fourier Transform on a Lattice

I am reading a book(EDIT: the book is Czyholls theoretical condensed matter physics, though i am not sure if there is an english version) where for periodic functions $f(x_l+L)=f(x_l)$ the Fourier ...
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1answer
72 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 ...
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1answer
41 views

can ice crystals be molded into a structural shape in space

I know that water exposed to vacuum space first boils and then turn into vapor (sublimates) . Is it possible re use this vapor say inside a pressurized membrane, to mold it into a solid ice structure, ...
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1answer
158 views

Does graphene have a honeycomb lattice?

In my grand ignorance I would state that graphene has a honeycomb lattice. Some tend to agree with me and some others do not. I'm curious to know what members of the SE community think is the right ...
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1answer
41 views

Density of particles in hexagonal lattice

I need to calculate, in a 2D hexagonal lattice of point particles in which the nearest neighbours are a distance apart $a$, what's the density of particles. What I really need is, if $\rho$ is the ...
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1answer
64 views

Why is graphene stronger than graphite?

Why is graphene stronger than graphite when graphene is just a single layer while graphite is multiple layers of graphene? And can't we say that diamond and coal also consist of layers of graphene as ...
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1answer
33 views

Is graphene on a sticky tape strong enough to compete with my hand stretching it?

As we know we can make graphene using sticky tape so after we make graphene on a sticky tape will that thin sheet of graphene on a sticky tape be strong enough to compete with my hand trying to ...
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38 views

Why do some materials have a negative coefficient of thermal expansion in all directions?

Those materials are especially ceramic-glasses. I've found some studies about how does it happens in one dimension (for example a nanocrystalline has a silica helix that works like twisting spring, ...
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28 views

Sum in the reciprocal lattice

I have to use this property but I don't understand at all the deduction, so I was wondering if someone could help me. We have a crystal lattice with vectors to each atom from one of them $R_j$, and ...
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20 views

Constructing uniform mesh in reciprocal space?

This is a bit of a mental exercise for me to get comfortable with the math of reciprocal spaces since I am going to start doing some research that requires knowledge of reciprocal spaces. Let's say I ...
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1answer
37 views

What is the importance of reciprocal lattice?

Reciprocal lattice is the diffraction plot of a crystal. Now with the STM instrument we can get the get the topology of the crystal, so what is the importance of reciprocal lattice or the Brillouin ...
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1answer
27 views

If Ionic crystals are heated up, where does the energy go?

Ionic crystal are poor conductors of heat, due to lack of delocalised electrons. So if they are heard up where does the heat go? Does it get dumped in the potential well created by interatomic ...
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1answer
42 views

Getting the ($hkl$) Miller indices from the angle of incidence of a light ray

I was given an X-ray diffraction lab this week. We measured the count rate for different angles $2\theta$ of the rotation of the detector. From these measurements we plotted a graph of 2theta vs the ...
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1answer
37 views

Path length requirement for diffraction problem [closed]

The following question has been asked in a problem sheet I have been asked to answer: "The above diagram relates to the path lengths of radiation, with an angle of incidence, θ, reflecting off ...
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50 views

In which direction along a GaN (wurtzite) crystal are only Ga atoms being observed?

So, if you have an electron microscope image of a GaN crystal, and that it shows only white dots which represent Ga atoms. No nitrogen atoms are seen in the image. Along which direction is this ...
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1answer
44 views

Building a Crystal Radio Questions

I have been reading several books and articles about building a crystal radio and the explanations about the inner workings of the circuit seem vague. All articles and books mention the coil and the ...
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1answer
359 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 ...
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1answer
5k views

Is it possible to “see” atoms?

As per my knowledge, atoms are small beyond our imaginations. But there is an image on Wikipedia that shows silicon atoms observed at the surface of silicon carbide crystals. The image: How can we ...
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713 views

Are synthetically-produced diamonds as hard as natural diamonds?

I was having a discussion with my friend about the intrinsic worthlessness of diamonds (DeBeers and whatnot) and how synthetic diamonds haven't caught on, again because of the marketing/propoganda ...
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46 views

Reciprocal to determine Miller indices

If we know the reciprocal space basis of a BCC lattice \begin{align}b_1=\frac{2\pi}{a}(\vec{x}+\vec{y}),b_2=\frac{2\pi}{a}(\vec{z}+\vec{y}),b_3=\frac{2\pi}{a}(\vec{x}+\vec{z})\end{align} how do we ...
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1answer
348 views

Born-Oppenheimer Approximation equivalent to Tensor-product ?

If you have a wave function $\Psi$ of a system consisting of an electron and the vibrational modes of the crystal, THEN we represent the wavefunction $\Psi%$ to be in the Hilbert Space formed by the ...
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38 views

crystal momentum conservation

Electrons on 1D chain interacting with each other $$ H = \sum_{k_4,k_3, k_2, k_1} V(k_4-k_1) c_{k_4}^{\dagger}c_{k_3}^{\dagger}c_{k_2}c_{k_1}\delta_{k4+k3=k2+k1;\text{mod}~G}$$ where $G$ is ...