Confusion about Unit Cell Structure: Understanding Lattice and Basis Vectors

In summary, the conversation discusses the definitions of unit cell, primitive vector, and primitive basis vectors in the context of crystal structures. It is noted that the unit cell can be either primitive or non-primitive, and both types can be used to describe the lattice. The conventional unit cell is often chosen because it reflects the symmetry of the lattice better, and for some lattices, it may contain multiple primitive cells. An example of this is the face-centered cubic cell, where the conventional cell contains 4 primitive cells.
  • #1
Septim
167
6
Greetings everyone,

I am taking a course on elementary condensed matter physics and our textbook is "Introduction to Solid State Physics" by Charles Kittel. I have read the crystal structure from 4 books; however, I am still confused about the definitions such as unit cell, primitive vector and primitive basis vectors. Is the unit cell only consists of the lattice or the lattice + basis? I have made a searched and it seems that the latter is more appropriate. Are there such things as non-primitive basis vectors and primitive basis? These terms confuse me a lot. I would be glad if you can come up with an explanation or guide me to references.

Thanks in advance
 
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  • #2
The unit cell can be primitive or non-primitive (sometimes called "conventional unit cell").
For the same lattice you can use either one. And unit (lattice) vectors can be defined for both types of unit cell.
 
  • #3
To fully describe the unit cell you need the lattice and the basis.

The choice of the unit cell is not unique - even for the primitive unit cell you can have many choices.

The conventional unit cell usually contains more than one primitive unit cell. It is chosen because it better reflects the symmetry of the lattice.

Take the face-centered cubic cell, for example. The conventional, cube-shaped cell contains 4 primitive cells. a possible choice for the primitive cell is lattice vectors (0, 1/2, 1/2), (1/2, 0, 1/2) and (1/2, 1/2, 0). If you draw a 3D model of this primitive cell, then the cubic symmetry is far from obvious.
 

1. What is a unit cell?

A unit cell is the smallest repeating structure of a crystal lattice in a solid material. It is used to represent the overall structure of the material and its properties.

2. How is a unit cell determined?

A unit cell is determined by the arrangement of atoms or molecules in a crystal lattice. This arrangement is based on the type of bonding between the particles and the forces that hold them together.

3. What is the difference between a primitive and a non-primitive unit cell?

A primitive unit cell contains only one lattice point at each of its corners, while a non-primitive unit cell may contain more than one lattice point at each corner. Non-primitive unit cells are used to represent more complex crystal structures.

4. How does unit cell affect the properties of a material?

The unit cell of a material can affect its physical, chemical, and mechanical properties. The size and shape of the unit cell can determine the density, strength, and other properties of the material.

5. Can two different materials have the same unit cell?

Yes, it is possible for two different materials to have the same unit cell. This is known as isomorphism and occurs when the atoms or molecules in the two materials have similar sizes and bonding arrangements.

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