Born-Von Karman boundary conditions

In summary, the choice of boundary conditions is determined by mathematical convenience in problems like this, but for larger metals, the bulk properties should not be affected by the surface configuration. Postulates in quantum mechanics do not specifically address boundary conditions, but they can be derived from the physical nature of the problem. In the case of the particle in a box, the boundary conditions are given as \psi(0)=\psi(L)=0. However, it is possible to use periodic boundary conditions and still obtain the same result. In the case of a Bloch electron, the boundary conditions must be taken into account due to the electron's non-localized nature. The volume, while it may have no physical meaning, is used to calculate properties of the system
  • #1
no_math_plz
11
0
I can't understand this conditions, and in general every boundary conditions for problems like this. they states "the choice of boundary conditions can be determined by mathematical convenience (!?) ... for if the metal is sufficiently large, we should expect its bulk properties not to be affected by the detailed configuration of surface" I'm a bit confused. from where they derive? from some postulates? doesn't exist postulates in quantum mechanics concerning boudary conditions. can you help me?
 
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  • #2
For example, in the first QM problem you ever solved (the particle in a box) the boundary conditions were given to you: [itex]\psi(0)=\psi(L)=0[/itex], where L is the size of the box. These conditions are physical since the particle can't be outside the box.

You could, however, solve the problem with periodic boundary conditions instead of the physical boundary condition if you like and you will find only "half as many" solutions which you would then account for by saying that the wave vector can be taken as positive or negative, etc etc etc. And, presumably, when you calculate something like the density and take the limit as [itex]L\to\infty[/itex] you obtain the same result regardless of boundary conditions.
 
  • #3
for a particle in a box I have more solutions (twice) because I ignore boundary conditions for first derivative! I must take account of these conditions because a Bloch electron can't be localized, is a running electron. I can't say "electron is in a volume V", I think it has no sense. So, what's the role of V? Please, if I wasn't so clear, plaese make me notice it. Maybe I've an idea to resolve this problem, but I would like to know what do you think about my considerations first
 

What are Born-Von Karman boundary conditions?

Born-Von Karman boundary conditions are a set of boundary conditions used in solid state physics and materials science to model the behavior of atoms at the surface of a crystal lattice. They take into account the periodicity of the crystal lattice and the interactions between atoms at the surface and those within the lattice.

How are Born-Von Karman boundary conditions used in simulations?

Born-Von Karman boundary conditions are used to simulate the behavior of atoms at the surface of a crystal lattice in computer simulations, such as molecular dynamics simulations. They allow for the accurate modeling of the interactions between atoms at the surface and those within the lattice, which is crucial for studying the properties of materials at the nanoscale.

What are the assumptions made in Born-Von Karman boundary conditions?

Born-Von Karman boundary conditions assume that the crystal lattice is infinite in all directions, so that there is no edge or surface effects. They also assume that the atoms at the surface interact with the lattice in the same way as those within the lattice, and that the surface is smooth and flat.

What is the significance of Born-Von Karman boundary conditions in solid state physics?

Born-Von Karman boundary conditions are essential in solid state physics as they allow for the accurate modeling of surface effects and the behavior of materials at the nanoscale. They have been used to study a wide range of phenomena, such as surface diffusion, surface melting, and the properties of thin films and nanoparticles.

Are there any limitations to using Born-Von Karman boundary conditions?

Yes, there are some limitations to using Born-Von Karman boundary conditions. They may not accurately capture the behavior of materials at very small length scales or under extreme conditions. Additionally, they do not take into account the effects of defects or impurities at the surface, which may be important in certain systems.

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