Reduced cell

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 Revision as of 15:43, 18 December 2017 (view source) (Created page with "A primitive basis a, b, c is called a ‘reduced basis’ if it is right-handed and if the components of the metric tensor satisfy the conditions below. Because of [[lattice]...")← Older edit Revision as of 15:48, 18 December 2017 (view source) (Languages)Newer edit → Line 1: Line 1: + Maille réduite (''Fr''). Cella ridotta (''It''). 規約単位胞 (''Ja''). + + A primitive basis a, b, c is called a ‘reduced basis’ if it is right-handed and if the components of the [[metric tensor]] satisfy the conditions below. Because of [[lattice]] [[symmetry operation|symmetry]] there can be two or more possible orientations of the reduced basis in a given lattice but, apart from orientation, the reduced basis is unique. A primitive basis a, b, c is called a ‘reduced basis’ if it is right-handed and if the components of the [[metric tensor]] satisfy the conditions below. Because of [[lattice]] [[symmetry operation|symmetry]] there can be two or more possible orientations of the reduced basis in a given lattice but, apart from orientation, the reduced basis is unique. The type of a cell depends on the sign of The type of a cell depends on the sign of Line 6: Line 9: If ''T'' > 0, the cell is of type I, if ''T'' ≤ 0 it is of type II. If ''T'' > 0, the cell is of type I, if ''T'' ≤ 0 it is of type II. - The conditions for a primitive cell to be a reduced cell can all be stated analytically as follows: + The conditions for a primitive cell to be a reduced cell can all be stated analytically as follows. ==Type-I cell== ==Type-I cell==

Revision as of 15:48, 18 December 2017

Maille réduite (Fr). Cella ridotta (It). 規約単位胞 (Ja).

A primitive basis a, b, c is called a ‘reduced basis’ if it is right-handed and if the components of the metric tensor satisfy the conditions below. Because of lattice symmetry there can be two or more possible orientations of the reduced basis in a given lattice but, apart from orientation, the reduced basis is unique. The type of a cell depends on the sign of

$T = (\mathbf{a}\cdot\mathbf{b})(\mathbf{b}\cdot\mathbf{c})(\mathbf{c}\cdot\mathbf{a})$.

If T > 0, the cell is of type I, if T ≤ 0 it is of type II.

The conditions for a primitive cell to be a reduced cell can all be stated analytically as follows.

Type-I cell

Main conditions

• $\mathbf{a}\cdot\mathbf{a}$$\mathbf{b}\cdot\mathbf{b}$$\mathbf{c}\cdot\mathbf{c}$
• $|\mathbf{b}\cdot\mathbf{c}|$$(\mathbf{b}\cdot\mathbf{b})/2$
• $|\mathbf{a}\cdot\mathbf{c}|$$(\mathbf{a}\cdot\mathbf{a})/2$
• $|\mathbf{a}\cdot\mathbf{b}|$$(\mathbf{a}\cdot\mathbf{a})/2$
• $\mathbf{b}\cdot\mathbf{c} > 0$
• $\mathbf{a}\cdot\mathbf{c} > 0$
• $\mathbf{a}\cdot\mathbf{b} > 0$

Special conditions

• if $\mathbf{a}\cdot\mathbf{a} = \mathbf{b}\cdot\mathbf{b}$ then $\mathbf{b}\cdot\mathbf{c}$$\mathbf{a}\cdot\mathbf{c}$
• if $\mathbf{b}\cdot\mathbf{b} = \mathbf{c}\cdot\mathbf{c}$ then $\mathbf{a}\cdot\mathbf{c}$$\mathbf{a}\cdot\mathbf{b}$
• if $\mathbf{b}\cdot\mathbf{c} = (\mathbf{b}\cdot\mathbf{b})$/2 then $\mathbf{a}\cdot\mathbf{b}$$2\mathbf{a}\cdot\mathbf{c}$
• if $\mathbf{a}\cdot\mathbf{c} = (\mathbf{a}\cdot\mathbf{a})$/2 then $\mathbf{a}\cdot\mathbf{b}$$2\mathbf{b}\cdot\mathbf{c}$
• if $\mathbf{a}\cdot\mathbf{b} = (\mathbf{a}\cdot\mathbf{a})$/2 then $\mathbf{a}\cdot\mathbf{c}$$2\mathbf{b}\cdot\mathbf{c}$

Type-II cell

Main conditions

• $\mathbf{a}\cdot\mathbf{a}$$\mathbf{b}\cdot\mathbf{b}$$\mathbf{c}\cdot\mathbf{c}$
• $|\mathbf{b}\cdot\mathbf{c}|$$(\mathbf{b}\cdot\mathbf{b})/2$
• $|\mathbf{a}\cdot\mathbf{c}|$$(\mathbf{a}\cdot\mathbf{a})/2$
• $|\mathbf{a}\cdot\mathbf{b}|$$(\mathbf{a}\cdot\mathbf{a})/2$
• $(|\mathbf{b}\cdot\mathbf{c}|+ |\mathbf{a}\cdot\mathbf{c}|+|\mathbf{a}\cdot\mathbf{b}|)$$(\mathbf{a}\cdot\mathbf{a}+\mathbf{b}\cdot\mathbf{b})/2$
• $\mathbf{b}\cdot\mathbf{c}$ ≤ 0
• $\mathbf{a}\cdot\mathbf{c}$ ≤ 0
• $\mathbf{a}\cdot\mathbf{b}$ ≤ 0

Special conditions

• if $\mathbf{a}\cdot\mathbf{a} = \mathbf{b}\cdot\mathbf{b}$ then $|\mathbf{b}\cdot\mathbf{c}|$$|\mathbf{a}\cdot\mathbf{c}|$
• if $\mathbf{b}\cdot\mathbf{b} = \mathbf{c}\cdot\mathbf{c}$ then $|\mathbf{a}\cdot\mathbf{c}|$$|\mathbf{a}\cdot\mathbf{b}|$
• if $|\mathbf{b}\cdot\mathbf{c}| = (\mathbf{b}\cdot\mathbf{b})/2$ then $\mathbf{a}\cdot\mathbf{b} = 0$
• if $|\mathbf{a}\cdot\mathbf{c}| = (\mathbf{a}\cdot\mathbf{a})$/2 then $\mathbf{a}\cdot\mathbf{b} = 0$
• if $\mathbf{a}\cdot\mathbf{b} = (\mathbf{a}\cdot\mathbf{a})$/2 then $\mathbf{a}\cdot\mathbf{c} = 0$
• if $(|\mathbf{b}\cdot\mathbf{c}|+ |\mathbf{a}\cdot\mathbf{c}|+|\mathbf{a}\cdot\mathbf{b}|) = (\mathbf{a}\cdot\mathbf{a}+\mathbf{b}\cdot\mathbf{b})/2$ then $\mathbf{a}\cdot\mathbf{a}$$2|\mathbf{a}\cdot\mathbf{c}|+ |\mathbf{a}\cdot\mathbf{b}|$