Building up a body centered cubic lattice: Difference between revisions

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* Number of atoms per cell: 2  
* Number of atoms per cell: 2  
* Coordinates:
* Coordinates:
Atom 1: <math> \left. x_1/l=0, y_1/l=0, z_1/l=0 \right. </math>
Atom 1: <math> \left( x_1, y_1, z_1 \right) = \left( 0, 0, 0 \right) </math>


Atom 2: <math> \left. x_2/l=1/2, y_1/l=1/2, z_1/l=1/2 \right. </math>
Atom 2: <math> \left( x_2, y_2, z_2 \right) = \left( l/2, l/2, l/2 \right) </math>


   
   

Revision as of 12:08, 20 March 2007

  • Consider:
  1. a cubic simulation box whose sides are of length Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \left. L \right. }
  2. a number of lattice positions, Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \left. M \right. } given by Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \left. M = 2 m^3 \right. } , with Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle m } being a positive integer
  • The Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \left. M \right. } positions are those given by:
Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \left\{ \begin{array}{l} x_a = i_a \times (\delta l) \\ y_a = j_a \times (\delta l) \\ z_a = k_a \times (\delta l) \end{array} \right\} }

where the indices of a given valid site Failed to parse (Conversion error. Server ("https://wikimedia.org/api/rest_") reported: "Cannot get mml. Server problem."): {\displaystyle (i_{a},j_{a},k_{a})} must fulfill:

  • Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle i_a, j_a, k_a } must be either all odd or all even.
  • Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle 0 \le i_a \le 2 m }
  • Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle 0 \le j_a \le 2 m }
  • Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle 0 \le k_a \le 2 m }

and Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \left.\delta l = L/(2m) \right. }

Atomic position(s) on a cubic cell

  • Number of atoms per cell: 2
  • Coordinates:

Atom 1: Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \left( x_1, y_1, z_1 \right) = \left( 0, 0, 0 \right) }

Atom 2: Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \left( x_2, y_2, z_2 \right) = \left( l/2, l/2, l/2 \right) }


Cell dimensions:

  • Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle a=b=c = l }
  • Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \alpha = \beta = \gamma = 90^0 }