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The majority of commonly used materials are in the solid state. Materials may be broadly classified as: Metals and alloys Ceramics, and Polymers Depending on the regularity with which the atoms or molecules are arranged in solids, they may be broadly classified as: Crystalline (crystal or polycrystalline form) Non-crystalline (amorphous)
PHY 3201 FIZIK KEADAAN PEPEJAL
SOLID MATERIALS
CRYSTALLINE POLYCRYSTALLINE AMORPHOUS
(Non-crystalline)
Single Crystal
Crystalline material is one in which the atoms are situated in a repeating or periodic array over large atomic distances.
Single crystal: the regular periodic arrangement of atoms extends over the entire volume of solids i.e. it possesses long range order.
Polycrystalline solid: made up of an aggregate of a large number of tiny single crystals oriented in different directions and separated by well-defined boundaries
Amorphous materials: have no regular arrangement of atoms or molecules. However, the arrangement is not completely disordered; i.e. short-ranged order of about 11.5 nm
Crystal Lattice
An infinite array of points in space, Each point has identical surroundings to all others. Arrays are arranged exactly in a periodic manner.
Basis
The atom or group of atoms or molecules attached to each lattice point in order generate the crystal structure.
Basis
Crystal Structure
r ' r u1a1 u 2 a2 u3 a3
(1)
defines all the points on the lattice, where the ui are integers. A key feature is that all the points are identical i.e. the lattice appears identical when views from the point r or as when viewed from the point r '
PHY 3201 FIZIK KEADAAN PEPEJAL
r
a2 a1
r'
If an observer at any point A is translated to any point B, he will not be able to detect any change in the environment i.e. the environment of all the points in a given lattice are identical.
r ' defined by (1) for all u1, u2, u3 defines the lattice
THE BASIS
For one basis, there is at least one atom but for complicated crystal e.g. organic proteins, there can be thousands of atoms per basis. The position of the centre of an atom j of the basis relative to the associated lattice point is
r j x j a1 y j a 2 z j a3
Wigner-Seitz cells
A simple way to find the primitive cell which is called Wigner-Seitz cell can be done as follows; 1. Choose a lattice point. 2. Draw lines to connect these lattice point to its neighbours. 3. At the mid-point and normal to these lines draw new lines. 4. The volume enclosed is called as a Wigner-Seitz cell.
Symmetry in Crystals
There are several ways in which an object may be repeated in space. These are called symmetry operations.
Symmetry operation Symmetry element
Translation
Rotation reflection Inversion
Displacement
Rotation axis Mirror plane Inversion point (or symmetry center)
Translation
S S S S S S S
S
S
S
S
S
S S
Rotation
90
120
180
This is an axis such that, if the cell is rotated around it through some angles, the cell remains invariant.
The axis is called n-fold if the angle of rotation is 2/n.
Axis of rotation
Axis of rotation
5-fold symmetry
Reflection
A plane in a cell such that, when a mirror reflection in this plane is performed, the cell remains invariant.
Inversion Center
A center of symmetry: A point at the center of the molecule. (x,y,z) --> (-x,-y,-z) Center of inversion can only be in a molecule. It is not necessary to have an atom in the center (benzene, ethane). Tetrahedral, triangles, pentagons don't have a center of inversion symmetry. All Bravais lattices are inversion symmetric.
a2
a1
oblique lattice
a1 a2 , =arbitrary
a1
a1
a2
a2
a1
a1
a2
a2
Oblique
Summary of Lecture 1
Crystalline Atoms are arranged in a periodic array Crystals consists of a infinite repetition of individual structural units arranged periodically in space All crystal structures can be described in terms of a lattice, with an identical group of atoms (or molecules) attached to every lattice point called the basis The lattice is formally known as a Bravais Lattice
PHY 3201 FIZIK KEADAAN PEPEJAL
Summary of Lecture 1
A key feature of a Bravais lattice is that all points are identical Lattice + basis = crystal crystal structure Primitive Lattice Cell the parallelpiped difined by the primitive translation vectors defines a primitive cell or primitive unit cell. It is a minimum volume cell. It contains one lattice point per primitive cell Conventional Unit Cell a non-primitive cell that displays the symmetry of the Bravais lattice and fills all space when translated by a subset of Bravais lattice translation vectors , T
PHY 3201 FIZIK KEADAAN PEPEJAL
3D-Unit cell