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OUTLINE

Crystal binding

Crystal structures

Miller indices

Crystal binding

Crystal structures

Miller indices

Crystal binding

Ionic bond: one electron is transfered from one atom to the other

Covalent bond: Valence electrons are in common between

neighboring atoms

Na+

ClNa+

ClCl-

ClNa+

C

C

Na+

Cl-

Diamond (covalent)

Electronic structure of Si: 1s22s22p63s23p2

4 valence electrons, 4 electrons missing to fill the outer shell

Most electrons involved in the bonds are trapped in the bonds, and

are not available for conduction.

Pure silicon is a poor conductor

But free carriers can be easily created by doping.

Electronic structure of Ga: 1s22s22p63s2p63d104s24p1

3 valence electrons, 5 electrons missing to fill the outer shell

Electronic structure of As: 1s22s22p63s2p63d104s24p3

5 valence electrons, 3 electrons missing to fill the outer shell

Ga

As

Ga

As

As

Ga

As

Ga

Ga

As

Ga

As

Heteropolar bonds

In semiconductor crystals the bonds are often a mixture of covalent and

ionic bonds

Fractional ionic

character

IV-IV

III-V

Si

0.00

SiC

0.18

Ge

0.00

Fractional ionic

character

II-VI

ZnO

0.62

ZnS

0.62

ZnSe

0.63

ZnTe

0.61

CdO

0.79

InP

0.42

InAs

0.36

InSb

0.32

CdS

0.69

GaAs

0.31

CdSe

0.70

GaSb

0.26

CdTe

0.67

Crystal binding

Crystal structures

Miller indices

Single crystals

Atoms are ordered periodically i.e. they form

a lattice

Translational symmetry, i.e. The crystal

appears identical at several equivalent

regions defined by a basic periodicity

Polycrystals

Consist of several single crystals ordered

randomly

Polycrystals are crystalline only locally

Quasicrystals

Structure with symmetries but not

translational invariance

Amorphous

unordered atoms

No repeating crystal structure can be

found in the material

Quasicrystal pattern

Amorphous SiO2

ELEC-E3140 Semiconductor physics

Crystal is formed from a lattice (Bravais lattice) and from a basis

consisting of one or more atoms.

The basis is repeated with the symmetry of the Bravais lattice.

When travelling from a one lattice point to another, the surrounding

atomic structure is the same (translational symmetry).

In addition to translational symmetry, the crystal can have rotational,

mirror and inversion symmetries.

Square lattice

Hexagonal lattice

Areas of crystal that can be repeated to form the full crystal are

called (conventional) unit cells.

The unit cell with the smallest area is called the primitive unit cell.

The vectors defining (spanning) the unit cell are called primitive

vectors.

Examples of 2D crystals

Yksiatominen

One

atom basis kanta

Kaksiatominen

Two atom basis kanta

Primitive vectors

Primitive vectors are not unambiguous there can be several options (see

red areas above).

All the points in the lattice can be expressed by

R = na 2 + mb 2 ;

n, m = 0, 1, 2,..

How to determine the

Wigner-Seitz primitive cell:

Choose arbitrary atom (or basis)

Draw lines to neighboring atoms

(or bases)

Draw the center normal to the line

segment joining atoms (bases)

The area closest to the chosen

atom (basis) and bounded by the

normals is the Wigner-Seitz

primitive cell

The Wigner-Seitz cell has the

same symmetry as the crystal

There are five different Bravais lattices in 2D.

Unit cell = a region of a crystal defined by vectors a, b, c and angles

, , and , which when translated by integral multiples of those

vectors, reproduce a similar region of the crystal.

Parallelopided indicating

The basis vectors and

angles.

Primitive unit cell = smallest unit cell in volume that can be defined

for a given lattice, i.e. smallest periodically repeated pattern in the

crystal. Most often the primitive vectors are defined as the sides of the

primitive cell

14 lattices in 3D (= Bravais lattices)

The most common semiconductors have a cubic lattice (a=b=c and

===90)

SC = Simple Cubic

BCC = Base Centered Cubic

FCC = Face Centered Cubic

Simple Cubic

Body-Centered Cubic

Face-Centered Cubic

Primitive vectors:

a = di

b = dj

c = dk

Volume of the

primitive cell:

V = abc = d3

Primitive vectors:

a=

d

(i + j - k )

2

b=

d

2

c=

( -i + j + k )

d

(i - j + k )

2

Volume of the

primitive cell:

V = abc = d / 2

3

Primitive vectors:

1

a = d ( i + j)

2

1

b = d (j+k)

2

1

c = d (k + i )

2

Volume of the

primitive cell:

1

V = a b c = d3

4

ELEC-E3140 Semiconductor physics

Diamond structure

Diamond structure = FCC lattice + 2 identical atoms in the primitive

cell: (0,0,0) and (a/4, a/4, a/4)

Examples: Si, Ge and diamond

http://jas2.eng.buffalo.edu/applets/education/solid/unitCell/home.html

ELEC-E3140 Semiconductor physics

Zinc-blende structure

Zinc-blende lattice = FCC lattice + 2 different atoms in the primitive

cell

Examples: GaAs, InP, GaP, GaSb, InSb, ZnS, ZnSe,

difficult to manufacture in

zinc-blende structure)

Hexagonal lattice

Simple hexagonal lattice (the blue atoms):

Primitive vectors:

a = a i

b=

a

i+

2

3 j )

c = c k

Hexagonal close packed structure (HCP)

consists of two simple hexagonal lattices

translated by a vector

a 3+b 3+c 2

Wurtzite structure

Two HCP lattices translated by a

vector (in orange) with different atoms

in each lattice.

Difference between wurtzite and zinc blende structures:

Lattice constant = the length of a side in a cubic lattice

Coordination number = the number of nearest neighbor

lattice sites. For example in BCC lattice its 8 and in FCC

its 12.

Nearest neighbor distance = distance between

1

neighboring atoms, for FCC its 2 a 2

Packing fraction (assuming spherical atomic shells)=

(volume of each sphere x number of spheres ) / total

volume of the unit cell

Lattice constants

Crystal binding

Crystal structures

Miller indices (next week)

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