MTE 583 - Advanced Structure of Materials

Class 11 Crystallography and Crystal Structures continued Suggested Reading

Ch. 3 M. DeGraef and M.E. McHenry, Structure of Materials, Cambridge (2007) 69-78. Ch. 1 C. Kittel, Introduction to Solid State Physics, 3rd Edition, Wiley (1956). Excerpt from ASM Metals Handbook. Chs. 1 and 3 S.M. Allen and E.L. Thomas, The Structure of Materials, Wiley (1999). Chs. 3 and 4 R. Tilley, Crystals and Crystal Structures, Wiley (2006).

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2D/3D

Types of Lattices
One lattice point per unit cell Termed a simple or primitive

Primitive (P)

Non-primitive Non primitive (multiple)

More than one lattice point per unit cell cell. Termed a XXX-centered
XXX = body, face, or base
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Lattice Points Per Cell in 2D Nedge Ncorner N2D Ninterior

2 4
Edges are not allowed lattice sites in 2D. corner Interior and corner positions are the only allowed ll dl lattice tti point locations.

interior edge

WHY THESE?
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Consider primitive or body centered squares

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This lattice Now can consider be re-defined edge placement as one of the of aother lattice allowed point. lattices

This rectangular lattice is symmetric and allowed!

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Dont Don t confuse lattice point placement with atom placement. Atoms can sit on edge sites. Youll learn why a little later

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Lattice Points Per Cell in 3D Nface Nedge Ncorner N3D Ninterior

2 4 8
Edges are not allowed in 3D either. interior We often see examples of crystals with h atoms sitting on edges. How can this be? edge corner motifs can occupy edges as a result of internal point or space symmetry operations.
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face

Primitive vs. NonNon-primitive lattices

There are 4 crystal systems in 2D. Thus we can define 4 primitive lattices in 2D.
4 primitive Bravais nets (aka. lattices) Are there more?

OF COURSE!

There are 7 crystal systems in 3D. Thus we can define 7 primitive lattices in 3D.
7 primitive Bravais lattices Are there more? OF COURSE!

Can we add additional lattice points to a primitive lattice and still have a lattice with the same shape?

ABSOLUTELY!
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Primitive vs. NonNon-primitive lattices

Answer: YES, if we maintain symmetry. (All ( All lattice points must be equivalent equivalent.) )
b
90 a 90

13
12

12

2D rectangular lattices

12

IMPOSSIBLE Internal point is not symmetric or equivalent to corners

POSSIBLE Internal I t l point i t is i symmetric ti and equivalent to corners

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b
90 a
12 12

We could define a different lattice {e.g., primitive oblique lattice (shaded)}. The primitive cell obscures the true fact that the lattice has higher symmetry. A mirror image g of the p primitive unit cell is not identical to the original. g A mirror image of the rectangular cell with a lattice point in the center IS identical to the original. It has higher symmetry!

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General things about lattices

RECALL: You can always define a primitive lattice/unit cell. HOWEVER, HOWEVER If a non non-primitive primitive cell can be found that also describes symmetry of the lattice, it should be used instead. Since all lattice p points must be identical, , new lattice points can only be placed on positions centered between primitive lattice points.
Dont confuse lattice points with atoms
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2-D Synopsis

The Five 2 2-D Bravais Lattices

From the previous definitions of the four 2-D and seven 3-D crystal systems, we know that there are four and seven primitive unit cells, respectively. We can then ask: can we add additional lattice points to the primitive lattices (or nets), in such a way that we still have a lattice (net) belonging to the same crystal system (with symmetry requirements)? First illustrate this for 2-D nets, where we know that the surroundings of each lattice point must be identical. We can come up with centered rectangular net in (c) where A, B and C points have identical surroundings. If we try to do same thing with other 2-D nets, we find that there are no new nets to be found Two important ideas are 1) it is always possible to define a primitive unit cell for every possible net and 2) if a non-primitive cell can be found that describes the symmetry of the net (lattice), then that cell should be used to describe the net (lattice). Since the surroundings of every lattice point must be identical , we can only add new lattice points at centered positions.
The 5 Bravais lattices of 2-D crystals: (a) square, (b) rectangular, (c) centered rectangular, (d) hexagonal and (e) oblique:
A

B C

These are the only 5 possible 2-D Bravais lattices

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Prof. M.L. Weaver

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Bravais Lattice or Not?

This is a 2-D Bravais Lattice:

This is not a 2-D Bravais Lattice:

This is a 2-D Bravais Lattice:

From point 1 to 2: environment changes by reflection (mirror plane half way in between), if tie vertical pairs of points together you have 2-D Bravais lattice with 6 identical neighbors. Prof. M.L. Weaver

Alternative ways to define unit cell

Si Since it i is i always l possible ibl to describe d ib a lattice l i with i h a primitive i i i unit i cell, ll all ll 14 Bravais lattices can be described by primitive cells, even when they are centered (i.e., non-primitive). For example, example consider the non-primitive non primitive Fc (FCC) lattice: If we select shorter vectors a1, a2, and a3, we can define a primitive rhombohedral lattice with angle =60. We can draw this:

There is also the Wigner-Seitz (WS) cell, which is used to describe the first Brillouin zone of the reciprocal lattice. Brillouin B ill i zones are used d in i band b d theory th to t represent t in i reciprocal i l space the th solutions of the wave equations for the propagation of phonons or electrons in solids.

Alternative ways to define unit cell

Figure 2.5 2 5 The construction of a Wigner-Seitz Wigner Seitz cell or Dirichlet region: (a) draw a line from each lattice point to its nearest neighbors; (b) draw a set of lines normal to the first, through their mid-points; (c) the polygon formed (shaded) is the cell required.

Figure 2.9 Wigner-Seitz cells: (a) the body-centered cubic lattice; (b) the Wigner-Seitz cell of (a); (c) the face-centered cubic lattice; (d) the Wigner-Seitz cell of (c). The fcc cubic lattice point marked * forms the central lattice point in the Wigner-Seitz cell.

[Figures from Tilley]

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Brillouin Zones
A Wigner Wigner-Seitz Seitz primitive cell defined in reciprocal space. Boundaries are planes related to points on the reciprocal space lattice. Importance stems from Bloch wave description of waves in a periodic medium medium. Higher order zones are useful in energy band theory energy-band theory.
http://en.wikipedia.org/wiki/File:Brillouin_zone.svg

From Naumann, p. 128.