Sodium ([Ne] 3s¹3pº) forms a simple cubic (sc) primitive crystal structure, in which Na atoms are arranged at the corners of a cube. a) How many atoms are contained in the unit cell, and how many valence bands can be expected?

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2.

Answer ALL parts a) - c).

Sodium ([Ne] 3s¹3pº) forms a simple cubic (sc) primitive crystal structure, in which Na atoms are arranged at the corners of a cube.

a) How many atoms are contained in the unit cell, and how many valence bands can be expected?

 

b) Sketch the crystal orbitals at the special points ï'(0,0,0), X(1/2,1/2,0), and M(1/2,1/2,1/2), and hence draw the corresponding band structure along T-X-M-T.

c) With the aid of a diagram, explain how the band structure would change if the cube was distorted into a rhombohedron by elongation along a body diagonal?

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