Building up a simple cubic lattice: Difference between revisions

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m (New page: * Using a Cubic Simulation box of length <math>\left. L \right. </math> [EN CONSTRUCCION])
 
(Added a Jmol fo rthe lattice + category.)
 
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* Using a Cubic Simulation box of length <math>\left. L  \right. </math>
{{Jmol_general|Simple_cubic_lattice.xyz|A simple cubic lattice}}
[EN CONSTRUCCION]
* Consider:
# a cubic simulation box whose sides are of length <math>\left. L  \right. </math>
# a number of lattice positions, <math> \left. M \right. </math> given by <math> \left. M = m^{3}    \right. </math> ; with <math> m </math> being a positive integer
 
* The <math> \left. M \right. </math> positions are those given by:
:<math>
\left\{ \begin{array}{ll}
x = i \times (\delta l) &; i=0,1,\cdots, m-1 \\
y = j \times (\delta l) &; j=0,1,\cdots, m-1 \\
z = k \times (\delta l) &; k=0,1,\cdots, m-1
\end{array}
 
\right.
</math>
 
where
<math>
\left.
\delta l = L/m
\right.
</math>
 
== Atomic position(s) on a cubic cell ==
 
* Number of atoms per cell: 1
* Coordinates:
Atom 1: <math> \left( x_1, y_1, z_1 \right) = \left( 0, 0, 0 \right) </math>
 
Cell dimensions:
*<math> a=b=c </math>
 
*<math> \alpha = \beta = \gamma = 90^0 </math>
[[category: computer simulation techniques]]
[[category: Contains Jmol]]

Latest revision as of 12:01, 22 July 2009


<jmol> 

 <jmolApplet>
 <script>set spin X 10; spin on</script>
 <size>200</size>
 <color>lightgrey</color>
   <wikiPageContents>Simple_cubic_lattice.xyz</wikiPageContents>
</jmolApplet>
</jmol>
A simple cubic lattice
  • Consider:
  1. a cubic simulation box whose sides are of length
  2. a number of lattice positions, given by  ; with being a positive integer
  • The positions are those given by:

where

Atomic position(s) on a cubic cell[edit]

  • Number of atoms per cell: 1
  • Coordinates:

Atom 1:


Cell dimensions:

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