Chapter 1
A Brief Introduction of the Crystal Structure
1.1 Introduction
All of the solids, liquids, and gases that we encounter in our daily life are classified as a common type of matter. In solids and liquids the distance between neighboring atoms is of the order of a few angstroms. In the case of the gases, an average distance between molecules is approximately 30 Å at room temperature under 1 atm. Solids are one of the major states of matter. On the basis of the atomic arrangement, solids are classified into three categories: crystalline, polycrystalline, and amorphous [1–5]. In the crystalline structure (or single crystal or monocrystalline), the periodicity of atoms (or molecules) extends throughout the material (e.g., diamond, quartz, etc.). The opposite of a single crystal is an amorphous structure where the atomic position is completely random. In between the two extremes exist polycrystalline structures, which are made up of a number of small crystals known as crystallites. The crystallites in polycrystalline structures are randomly oriented. The small crystallites are known as grains and the boundaries separating them as grain boundaries. The crystalline, polycrystalline, and amorphous structures are schematically illustrated in Fig. 1.1.
Figure 1.1 Schematic illustration of three types of solids: (a) crystalline, (b) polycrystalline, and (c) amorphous.
1.2 Crystal Structure
To understand the crystal structure, one must know the answer of following questions:
• What is a space lattice?
• What are the lattice translation vectors?
• What is the basis?
A space lattice is a regular periodic array of infinite number of imaginary points in three-dimensional space [1–5]. It can be defined in three dimensions by three fundamental translational vectors , , and such that the atomic arrangement looks exactly the same in every respect when viewed from the point r as when viewed from the point r′, where
| (1.1) |
where u1, u2, and u3 are arbitrary integers. The set of points r′ defined by Eq. 1.1 for all u1, u2, and u3 defines a lattice. We can say that a lattice is a mathematically concept. The aforementioned periodic arrays of the infinite number of imaginary points in one dimension and two dimensions are called line lattice and plane lattice, respectively.
The crystal structure is always described in terms of atoms rather than point. Hence, to achieve a crystal structure, an atom or a group of atoms (i.e., molecule) must be placed on each lattice point in a regular fashion. Such an atom or a group of atoms is called the basis and acts as a building unit or a structural unit for the complete crystal structure. The crystal structure is formed when a basis of atoms is attached identical to every lattice points. Every basis should be identical in composition, arrangement, and orientation. Consequently, the crystal looks the same when viewed from any equivalent lattice point (Fig. 1.2). Mathematically, it is expressed as
Space lattice + Basis = Crystal structure.
Figure 1.2 Schematic representation of the formation of a crystal structure by the addition of the basis to every lattice points of the lattice.
A lattice translation operation T is defined as the displacement of a crystal by a crystal translation vector
From Eqs. 1.1 and 1.2
It indicates that can be obtained from by the application of Eq. 1.2.
A lattice translation vector () with translation operation () for a two-dimensional arrangement of the lattice points is shown in Fig. 1.3.
The lattice and the translation vectors , , and are said to be primitive if any two points r, r’ from where the atomic arrangement looks the same always satisfy Eq. 1.1 with a suitable choice of the integers u1, u2, u3. With this definition of the primitive translation vectors, there is no cell of smaller volume than that can serve as a building block for the crystal structure.
Figure 1.3 A two-dimensional lattice. The atomic arrangement at and looks the same to observers at these points, since is an integer number of the primitive translation vectors and . and are the nonprimitive translatio...