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EEE-3396 Introduction to solid state devices

Crystal structures

Introduction
As Electrical Engineers, we are interested mostly in electrical behavior of solid state materials. Electrical properties of solids are determined by Structural (crystal structure) Physical (atomic properties, optical properties etc.) Chemical (composition of compounds)

EEE-3396 Introduction to solid state devices

Crystal structures

Three types of solids, classified according to atomic arrangement

Si

Typical feature of crystalline solid is periodicity, which lead to long-range-order Crystal structure = Lattice + basis The whole crystal may be generated by repetition of unit cell Size(s) of unit cell = lattice parameter

Unit cell: the smallest group of atoms or molecules whose translation at regular intervals in three dimensions reproduces the lattices of a crystal.
Dr. Yu. Vlasov

EEE-3396 Introduction to solid state devices

Crystal structures

A two-dimensional lattice.

Dr. Yu. Vlasov

EEE-3396 Introduction to solid state devices

Crystal structures

The fourteen Bravais lattices

Auguste Bravais (1811-1863) was the first to count the categories different types of lattices correctly. From the point of view of symmetry, there are fourteen different kinds of Bravais lattices.

There are seven crystal systems:

Cubic (3 lattices) Orthorhombic (4 lattices) Triclinic (1 lattice) Hexagonal (1 lattice)
Dr. Yu. Vlasov

EEE-3396 Introduction to solid state devices

Crystal structures

Simple cubic lattice (sc)

c a a=b=c = = = 90
Dr. Yu. Vlasov

EEE-3396 Introduction to solid state devices

Crystal structures

Body centered cubic lattice (bcc)

c a a=b=c = = = 90
Dr. Yu. Vlasov

EEE-3396 Introduction to solid state devices

Crystal structures

Dr. Yu. Vlasov

EEE-3396 Introduction to solid state devices

Crystal structures

Dr. Yu. Vlasov

EEE-3396 Introduction to solid state devices

Crystal structures

Dr. Yu. Vlasov

EEE-3396 Introduction to solid state devices

Crystal structures

Face centered cubic lattice (fcc)

c a a=b=c = = = 90
Dr. Yu. Vlasov

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EEE-3396 Introduction to solid state devices

Crystal structures

Diamond lattice
The diamond lattice is composed of two interpenetrating fcc lattices, one displaced 1/4 of a lattice constant in each direction from the other. Each site is tetrahedrally coordinated with four other sites in the other sublattice. When the two sublattices are of different atoms, then the diamond lattice becomes the zincblende or sphalerite lattice.

The diamond lattice represents the crystal structure of diamond, germanium and silicon
Dr. Yu. Vlasov

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EEE-3396 Introduction to solid state devices

Crystal structures

Diamond lattice 1
The diamond lattice is composed of two interpenetrating fcc lattices: one displaced 1/4 of a lattice constant in each direction from the other.

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EEE-3396 Introduction to solid state devices

Crystal structures

Zincblende lattice

The zincblende lattice represents the crystal structure of zincblende (ZnS), gallium arsenide (GaAs), indium phosphide (InP), cubic silicon carbide and cubic gallium nitride
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EEE-3396 Introduction to solid state devices

Crystal structures

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EEE-3396 Introduction to solid state devices

Crystal structures

Orthorhombic (I) a b c, = = = 90o

Symbols: P - Primitive: simple unit cell ; F - Face-centered: additional atom in the center of each face ; I - Body-centered: additional atom in the center of the cell ; C - Centered: additional atom in the center of each end ; R - Rhombohedral: Hexagonal class only.
Dr. Yu. Vlasov

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EEE-3396 Introduction to solid state devices

Crystal structures

The Bravais lattices (6 of 14)

Orthorhombic (F) a b c, = = = 90

Hexagonal (P) = b c, = = 90, = 120

Rhombohedral (R) a = b = c, = = 90

Tetragonal (P) a = b c, = = = 90

Tetragonal (I) a = b c, = = = 90

Cubic (P) a = b = c, = = = 90

Symbols: P - Primitive: simple unit cell ; F - Face-centered: additional atom in the center of each face ; I - Body-centered: additional atom in the center of the cell ; C - Centered: additional atom in the center of each end ; R - Rhombohedral: Hexagonal class only.
Dr. Yu. Vlasov

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EEE-3396 Introduction to solid state devices

Crystal structures

Cubic (F) a = b = c, = = = 90o

Symbols: P - Primitive: simple unit cell ; F - Face-centered: additional atom in the center of each face ; I - Body-centered: additional atom in the center of the cell ; C - Centered: additional atom in the center of each end ; R - Rhombohedral: Hexagonal class only.
Dr. Yu. Vlasov

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EEE-3396 Introduction to solid state devices

Crystal structures

Lattice Constants and Crystal Structures of some Semiconductors Materials

Element or Compound C Ge Si Sn SiC AlAs AlP AlSb BN BP GaAs GaN GaP GaSb InAs InP InSb CdS CdS CdSe CdTe ZnO ZnS ZnS PbS PbTe Type Element Element Element Element IV-IV III-V III-V III-V III-V III-V III-V III-V III-V III-V III-V III-V III-V II-VI II-VI II-VI II-VI II-VI II-VI II-VI IV-VI IV-VI Name Carbon (Diamond) Germanium Silicon Grey Tin Silicon carbide Aluminum arsenide Aluminum phosphide Aluminum antimonide Boron nitride Boron phosphide Gallium arsenide Gallium nitride Gallium phosphide Gallium antimonide Indium arsenide Indium phosphide Indium antimonide Cadmium sulfide Cadmium sulfide Cadmium selenide Cadmium telluride Zinc oxide Zinc sulfide Zinc sulfide Lead sulfide Lead telluride Crystal Structure Diamond Diamond Diamond Diamond Wurtzite Zincblende Zincblende Zincblende Zincblende Zincblende Zincblende Wurtzite Zincblende Zincblende Zincblende Zincblende Zincblende Zincblende Wurtzite Zincblende Zincblende Rock Salt Zincblende Wurtzite Rock Salt Rock Salt Lattice Constant at 300 K () 3.56683 5.64613 5.43095 6.48920 a=3.086; c=15.117 5.6605 5.4510 6.1355 3.6150 4.5380 5.6533 a=3.189; c=5.185 5.4512 6.0959 6.0584 5.8686 6.4794 5.8320 a=4.160; c=6.756 6.050 6.482 4.580 5.420 a=3.82; c=6.26 5.9362 6.4620

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EEE-3396 Introduction to solid state devices

Crystal structures

Packing of the unit cell - 1

Packing Factor the ratio of the volume of atoms belonging to the unit cell to the volume of unit cell itself. Packing Factor the fraction of volume in a crystal structure that is occupied by atoms. N atoms Vatom Packing Factor = Vunitcell Note: Natoms is not the number of atoms forming unit cell, but it is a sum of fractions of atoms belonging to the unit cell geometrical shape. Packing factor is typically calculated for closed packed cells, i.e. when closest atoms touch each other.
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EEE-3396 Introduction to solid state devices

Crystal structures

Packing of the unit cell - 2

Simple cubic cell packaging of spheres: it is formed by placing atoms (spheres) at the corners of a cube. It can be seen that there is only one atom per unit cell (noting that the 8 atoms at corners are all only 1/8-th within the cell). In other words, the 8 corner atoms are each shared between 8 cells. The cell is cubic, all the edges are of the same length a = 2r where r is the radius of the atom. The volume of an atom is (4/3)r3 and the volume of the unit cell is a3 = (2r)3 so the packing factor is

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EEE-3396 Introduction to solid state devices

Crystal structures

Dr. Yu. Vlasov

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EEE-3396 Introduction to solid state devices

Crystal structures

Miller indices
Miller Indices (h k l) are used to identify planes of atoms within a crystal structure 1. Find the intercepts of the plane with the crystal axes and express these intercepts as integral multiples of the basis vectors: (4a,4b,4c) . 2. Invert the three integers found in step 1: (, , ) . 3. Using appropriate multiplier, convert the values found on step 2 to the smallest possible set of whole numbers h, k, and l: with 4 as multiplier we have (1,1,1) . 4. Label the plane (hkl): (1 1 1)
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EEE-3396 Introduction to solid state devices

Crystal structures

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EEE-3396 Introduction to solid state devices

Crystal structures

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EEE-3396 Introduction to solid state devices

Crystal structures

(001) (001)

(100)

(010)

(011)

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EEE-3396 Introduction to solid state devices

Crystal structures

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EEE-3396 Introduction to solid state devices

Crystal structures

Miller indices convention summary

Convention (hkl) {hkl} [hkl] <hkl> Interpretation Crystal plane Set of equivalent planes Crystal direction Set of equivalent directions

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EEE-3396 Introduction to solid state devices

Crystal structures

Defects

a) Interstitial impurity atom; b) Edge dislocation; c) Self interstitial atom; d) Vacancy;

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e) Precipitate of impurity atoms; f) Vacancy type dislocation loop; g) Interstitial type dislocation loop; h) Substitutional impurity atom
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EEE-3396 Introduction to solid state devices

Crystal structures

Quartz

Quartz crystal. Measures about 1-3/4 inches long by 3/4 inch.

http://www.wehug.com/quartz-crystal.html
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EEE-3396 Introduction to solid state devices

Crystal structures

Si wafers

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EEE-3396 Introduction to solid state devices

Crystal structures

Si surface

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EEE-3396 Introduction to solid state devices

Crystal structures

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EEE-3396 Introduction to solid state devices

Crystal structures

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