Calculating Integral of Cubic Lattice Sum

In summary, the conversation discusses the calculation of a sum involving a cubic lattice and the conversion to an integral form. The formula for the sum is given, as well as the formula for the conversion. The question is asked about the lower and upper limits for the integral and it is clarified that for a cubic lattice, the limits should go from 0 to 2pi/a or -pi/a to pi/a.
  • #1
Petar Mali
290
0
If I have cubic lattice and need to calculate sum

[tex]\frac{1}{N}\sum_{\vec{k}}\frac{1}{\sqrt{1-\gamma^2(\vec{k})}}coth\frac{6SI\sqrt{1-\gamma^2(\vec{k})}}{2T}[/tex]

where

[tex]\gamma(\vec{k})=\frac{1}{3}(cosk_xa+cosk_ya+cosk_za)[/tex]

I must go from sum to integral

[tex]\frac{1}{N}\sum_{\vec{k}}F(\vec{k})=\frac{a^3}{(2\pi)^3}\int F(\vec{k})d^3\vec{k}[/tex]

My question is what is lower limit and upper limit in this integral. Is it perhaps
[tex]k_x[/tex] goes from [tex]-\frac{2\pi}{a}[/tex] to [tex]\frac{2\pi}{a}[/tex]


[tex]k_y[/tex] goes from [tex]-\frac{2\pi}{a}[/tex] to [tex]\frac{2\pi}{a}[/tex]

[tex]k_z[/tex] goes from [tex]-\frac{2\pi}{a}[/tex] to [tex]\frac{2\pi}{a}[/tex]
 
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  • #2
It depends on the k(vector) range in the original sum formula.
 
  • #3
This is box quantisation and integral is over first Brillouin zone. Am I right about range of integration?
 
  • #4
Your limits for a cubic lattice should go from 0 to 2pi/a or -pi/a to pi/a.
 

Related to Calculating Integral of Cubic Lattice Sum

What is the formula for calculating the integral of a cubic lattice sum?

The formula for calculating the integral of a cubic lattice sum is:
abcdef cos(ax+by+cz) dx dy dz
= (sin(ax+by+cz))/(abc) |ab |cd |ef

What is a cubic lattice sum?

A cubic lattice sum is a mathematical calculation that involves summing up the values of a function over a three-dimensional cubic lattice. It is often used in physics and chemistry to model the properties of materials.

How is the integral of a cubic lattice sum related to physical properties of materials?

The integral of a cubic lattice sum is closely related to physical properties such as thermal conductivity, electrical conductivity, and magnetic susceptibility of materials. It allows scientists to calculate these properties and understand how they are affected by the arrangement of atoms in a lattice structure.

What are some real-world applications of calculating the integral of a cubic lattice sum?

The integral of a cubic lattice sum has many real-world applications, including modeling the properties of crystals, semiconductors, and polymers. It is also used in the study of phase transitions and the behavior of materials under extreme conditions.

What challenges are involved in calculating the integral of a cubic lattice sum?

Calculating the integral of a cubic lattice sum can be challenging due to the complexity of the formula and the need for precise numerical calculations. It also requires a deep understanding of mathematical concepts such as Fourier series and multivariate calculus. Additionally, the properties of the materials being studied may introduce additional complexities in the calculation process.

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