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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)

Crystal structures

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

Crystal structures

A two-dimensional lattice.

Dr. Yu. Vlasov

Crystal structures

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.

Cubic (3 lattices) Orthorhombic (4 lattices) Triclinic (1 lattice) Hexagonal (1 lattice)

Dr. Yu. Vlasov

Crystal structures

c a a=b=c = = = 90

Dr. Yu. Vlasov

Crystal structures

c a a=b=c = = = 90

Dr. Yu. Vlasov

Crystal structures

Dr. Yu. Vlasov

Crystal structures

Dr. Yu. Vlasov

Crystal structures

Dr. Yu. Vlasov

Crystal structures

c a a=b=c = = = 90

Dr. Yu. Vlasov

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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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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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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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Crystal structures

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Crystal structures

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.

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Crystal structures

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

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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Crystal structures

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.

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Crystal structures

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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Crystal structures

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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Crystal structures

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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Crystal structures

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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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Crystal structures

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Crystal structures

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Crystal structures

(001) (001)

(100)

(010)

(011)

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Crystal structures

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Crystal structures

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

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Crystal structures

Defects

Dr. Yu. Vlasov

e) Precipitate of impurity atoms; f) Vacancy type dislocation loop; g) Interstitial type dislocation loop; h) Substitutional impurity atom

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Crystal structures

Quartz

http://www.wehug.com/quartz-crystal.html

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Crystal structures

Si wafers

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Crystal structures

Si surface

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Crystal structures

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