Atomic Structure-Eng

Atomic Structure
Prof. Dr. Hatem AKBULUT
Objectives of Chapter
The goal of this chapter is to describe the
underlying physical concepts related to the
structure of matter.
To examine the relationships between
structure of atoms-bonds-properties of
engineering materials.
Learn about different levels of structure i.e.
atomic structure, nanostructure,
microstructure, and macrostructure.
Chapter Outline
2.1 The Structure of Materials:
Technological Relevance
2.2 The Structure of the Atom
2.3 The Electronic Structure of the
Atom
2.4 The Periodic Table
Section 2.1
The Structure of Materials:
Technological Relevance
Nanotechnology
Micro-electromechanical (MEMS)
systems-Airbag
sensors
Nanostructures
Figure 2.1
Table 2.1 Levels of Structure

Level of Structure
Atomic Structure
Example of Technologies
Diamond edge of
cutting tools
Atomic Arrangements: Lead-zirconium-titanate

Long-Range Order
[Pb(Zrx Ti1-x )] or PZT
(LRO)
gas igniters
Atomic Arrangements: Amorphous silica - fiber
Short-Range Order
optical communications
(SRO)
industry
Figures 2.2 2.4
Table 2.1 (Continued)

Level of Structure
Example of Technologies
Nanostructure
Nano-sized particles of
iron oxide ferrofluids
Microstructure
Mechanical strength of
metals and alloys
Macrostructure
Paints for automobiles

for corrosion resistance
Figures 2.5 2.7

Section 2.2
The Structure of the Atom
The atomic number of an element is equal to the
number of electrons or protons in each atom.
The atomic mass of an element is equal to the average
number of protons + neutrons in the atom.
The Avogadro number of an element is the number of
atoms or molecules in a mole.
The atomic mass unit of an element is the mass of an
atom expressed as 1/12 the mass of a carbon atom.
Atom= Nucleus (neutron+proton) + electron

The effect hold the atoms together nuclear force
The effect hold atoms around atoms electrostatic force
Forces
Electrons negative
Protons positive
Neutrons neutral
The electrical charge that electrons and protons have,
is equal= 1,610-19 C (Coulombs)
Masses
Protons and neutrons have equal mass= 1,610-27 kg
Mass of Electrons = 9,1110-31kg
Mass of electron is omitted in atomic mass calculation
Electron charge cloud constitutes approximately all
volume of atom. However, contitutes extremly small
amount of mass
Atomic number (Z) = Number of Protons in nucleus

In a neutral atom the number of protons equal to
number of electrons
Each of the element has specific atomic number.
Atomic number introduce the element
Mass of Atom (M) = no. of protons + no. of neutrons
= atomic number(Z)+no. of neutrons
Isotopes are the atoms that the neutron numbers are
diferent in the nucleus.
Atomic Mass: Equal to mass of the atom in

terms of grams of the atoms that equal to
Avogadro number (NA) Unit= gr/mol.
NA (Avogadro number)= 6,02 1023 atom/mol
Alternative unit is the atomic mass unit (a.m.s.)

(It is 1/12 th of the carbon atom that atomic
mass is 12)
Example: One mole iron (Fe) contains
6,021023 atoms and its mass is 55,847 gr
or 55,847 a.m.s.
10
10
Example 2.1
Calculate the Number of Atoms in Silver
Calculate the number of atoms in 100 g of silver.
Example 2.1 SOLUTION
23 atoms
mol)
The number of silver atoms is = (100 g )(6.023 10
(107.868 g mol)
=5.58 1023
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11
Example 2.2
Nano-Sized Iron-Platinum Particles
For Information Storage
Scientists are considering using nano-particles of such
magnetic materials as iron-platinum (Fe-Pt) as a
medium for ultrahigh density data storage. Arrays of
such particles potentially can lead to storage of
trillions of bits of data per square incha capacity that
will be 10 to 100 times higher than any other devices
such as computer hard disks. If these scientists
considered iron (Fe) particles that are 3 nm in
diameter, what will be the number of atoms in one
such particle?
12
12

The radius of a particle is 1.5 nm.
Volume of each iron magnetic nano-particle
= (4/3)(1.5 10-7 cm)3

= 1.4137 10-20 cm3
Density of iron = 7.8 g/cm3. Atomic mass of iron
is 56 g/mol.
Mass of each iron nano-particle
= 7.8 g/cm3 1.4137 10-20 cm3
= 1.102 10-19 g.
One mole or 56 g of Fe contains 6.023 1023
atoms, therefore, the number of atoms in one
Fe nano-particle will be 1186.
13
13
Example 2.3
Dopant Concentration In Silicon Crystals
Silicon single crystals are used extensively to make
computer chips. Calculate the concentration of silicon atoms
in silicon, or the number of silicon atoms per unit volume of
silicon. During the growth of silicon single crystals it is often
desirable to deliberately introduce atoms of other elements
(known as dopants) to control and change the electrical
conductivity and other electrical properties of silicon.
Phosphorus (P) is one such dopant that is added to make
silicon crystals n-type semiconductors. Assume that the
concentration of P atoms required in a silicon crystal is 1017
atoms/cm3. Compare the concentrations of atoms in silicon
and the concentration of P atoms. What is the significance of
these numbers from a technological viewpoint? Assume that
density of silicon is 2.33 g/cm3.
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14

Atomic mass of silicon = 28.09 g/mol.
So, 28.09 g of silicon contain 6.023 1023
atoms.
Therefore, 2.33 g of silicon will contain
(2.33 6.023 1023/28.09) atoms = 4.99
1022 atoms. Mass of one cm3 of Si is 2.33 g.
Therefore, the concentration of silicon atoms in
pure silicon is 5 1022 atoms/cm3.
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15
Example 2.3 SOLUTION (Continued)

Significance of comparing dopant and Si atom
concentrations: If we were to add phosphorus (P)
into this crystal, such that the concentration of P is
1017 atoms/cm3, the ratio of concentration of
atoms in silicon to that of P will be
(5 1022)/(1017)= 5 105. This says that only 1

out of 500,000 atoms of the doped crystal will be
that of phosphorus (P)! This is equivalent to one
apple in 500,000 oranges! This explains why the
single crystals of silicon must have exceptional
purity and at the same time very small and
uniform levels of dopants.
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16
Section 2.3 The Electronic Structure

of the Atom
Quantum numbers are the numbers that assign electrons
in an atom to discrete energy levels.
A quantum shell is a set of fixed energy levels to which
electrons belong.
Pauli exclusion principle specifies that no more than two
electrons in a material can have the same energy. The
two electrons have opposite magnetic spins.
The valence of an atom is the number of electrons in an
atom that participate in bonding or chemical reactions.
Electronegativity describes the tendency of an atom to
gain an electron.
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17
If sufficient energy is given to

an electron on a specific
energy level, electron can
jump to a upper energy level.
e.i. For shifting of an electron
to an energy level of E2, the
necessary energy for the
electron which is stable at the
energy level of E1, received
energy is:
Photon
Absorbed energy
E = E2-E1
18
18
However,
since
the
electron is unstable in the
E2 level it can not be
hosted forever in this
energy
Electron returns in the E1
level and it emits received
E energy in the form of
electromagnetic radiation
to the environment.
19
Photon
Yaylan
Emittedenerji
energy
During the returning to the lower energy level,

the frequency of emitted specific amount of
energy wave () in the form of radiation
(photon) is proportional with E energy:
E = h
h: Planck constant (6,63x10-34 Js)
The wavelength of the emitted radiation with the
speed of light (c=3x108 m/s) wave ();
c=
Then the energy becomes
20
hc
E
20
A hydrogen atom model,

representing that a single
electron
is
rotating
around a proton.
Model was developed in
1913 by Niels Bohr.
Bohr equation explaining
the
model
gives
approximate energy at
the
permitted
energy
level
21
Electron:
Charge e
Mass m
Velocity v
Orbital radius
R= 0.05 nm
Proton
Charge +e
Electron
orbital
2 2 m e 4
13,6
E
2 eV
2 2
n h
n
e: Electron charge
m: Electron mass
n: Main (primary) quantum number
21
Continiuty
Base condition
According to Bohrs equation the energy at the base condition is

13,6 eV.
If the hydrogen atom excited to higher energy levels its energy
raised and numerical value decreased.
For completely separating an electron from hydrogen atom the
required energy is 13.6 eV and this is the ionization energy of
hydrogen atom..
22
BOHR ATOM
electrons:
n = principal
quantum number
1
n=3 2
Nucleus:
Adapted from Fig. 2.1,
Callister 6e.
Z = # protons
= 1 for hydrogen to 94 for plutonium
N = # neutrons
Atomic mass A Z + N
n labels shells; shells are composed of sub-shells: s, p, d, f,
23
23
Electron Configurations
An electron configuration describes the distribution of
electrons among the various orbitals in the atom.
Electron configuration is represented in two ways.
The spdf notation uses
numbers to designate a
principal shell and letters (s,
p, d, f) to identify a
subshell; a superscript
indicates the number of
electrons in a designated
subshell.
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24
1s2 2s2 2p63s23p63d64s2.

25
25
In an orbital (box) diagram a box represents each

orbital within subshells, and arrows represent
electrons. The arrows directions represent electron
spins; opposing spins are paired.
N:
26
26
ELECTRONC CONFGURATON
Electrons
are arranged
Energy Levels
or
the arrangement
of theinelectron
in the atom.
Shells around the nucleus of an atom.
nl
no.of
Sub electrons
Main
energy energy
level level
nucleus
f
1 2 p3 d 4 d
p
p
s
s s
s
2e- 8e18e-
f = 7x 2 = 14
d = 5x 2 = 10
32e-
p = 3x 2 = 6
s = 1x 2 = 2
Atomic orbital
27
1 Atomic
27
orbital
=2e
Transition Elements
The electon strucutre for some of the elements may not be
fitted with the sequential rules that expalined previously.
In some of the elemnts electrons can be placed on the up
energy levels. These types of elemnts so called Transition
Elements.
In the iron (Fe) that atomic number is 26, there are 26
electrons. The expected quantum numbers team is:
1s2 2s2 2p63s23p63d8
I fact, 8 electrons must be placed at the 3d shell. But,
2 electrons from 3d shell move to 4s level and new
replacement is
1s2 2s2 2p63s23p63d64s2.
28
ELECTRON ENERGY STATES

Electrons...
have discrete energy states

tend to occupy lowest available energy state.
Maximum electrons
In sub-shells
s=2
p=6
d = 10
f = 14
Maximum electrons in
nth shell = 2n2
29
29
STABLE ELECTRON
CONFIGURATIONS
Stable electron configurations...
have complete s and p sub-shells 8 electrons (octet)
tend to be unreactive.
Adapted from Table 2.2,
Callister 6e.
30
30
SURVEY OF ELEMENTS
Electron configuration
1s1
1s2
(stable)
1s22s1
1s22s2
1s22s22p1
Adapted from Table 2.2,
Callister 6e.
2
2
2
1s 2s 2p
...
1s22s22p6
(stable)
1s22s22p63s1
1s22s22p63s2
1s22s22p63s23p1
...
1s22s22p63s23p6
(stable)
...
1s22s22p63s23p63d10 4s246
(stable)
Most elements: Electron configuration not stable. Why?

Valence (outer) shell usually is not an octet.
31
31
Quantum Numbers of Electrons

Electrons have different energy levels in the
atoms
Each of electron has a specific energy and there
can not be more than two electrons that have
similar energy level in an atom.
Each of the energy levels belong to electrons
determined by four quantum numbers. These
are:
Primary (principal) quantum number
Secondary (Azimuthal) quantum number

Magnetic quantum number
Spin quantum number
32
32
1. Basic (primary) quantum number:

Shows the basic energy level of the
electron. In an energy shell that has
n quantum number, there can be
maximum 2n2 electrons.
Additionally, basic quantum numbers

can be shown with K, L, M, N,...
symbols.
n=1=K shell, 2 e
n=2=L shell, total 8 e
n=3=M shell, total 18 e
n=4=N shell, total 32 e
Basic quantum
numbers
Symbols (Letters)
33
2003 Brooks/Cole Publishing / Thomson Learning
Figure 2.8 The atomic structure of sodium, atomic number

11, showing the electrons in the K, L, and M quantum shells
34
34
2. Secondary (Azimuthal) quantum number(l):

Define secondary energy levels inside the basic energy levels
and there can be as much as (n-1).
l number can takes the values of 0,1,2,3,...,n-1.
These are shown by s, p, d, f letters instead of numbers.
l= 0 for s
l= 1 for p
l= 2 for d
l= 3 for f
Specific numbers of electrons can be existed in each s, p, d, f
orbitals.
In s orbital 2 e,
In p orbital 6 e,
In d orbital 10 e
In f orbital 14 e
Secondary
Quantum numbers
Letters
35
35
3. Magnetic quantum number (ml):

Electrons move at different directions on atoms
around and have different angular momentum.
If the movement is in positive direction at secondary
quantum shell (+), in negative (-), the movement
direction is indefinite (0).
The value that the magnetic quantum number can
take is 2l+1.
l=0 for ml =1 number, ml = 0

l=1 for ml =3 number ml = -1, 0, +1
l=2 i for ml =5 number ml = +2, -1, 0, +1, +2
36
36
4. Spin quantum number, ms

In an orbital and energy level there can not be
more than two elctrons that move opposite
directions (Pauli exclusion principle)
Electrons have two different rotating directions
one is at the clockwise and the other is anticlockwise.
Rotating can takes +1/2 and -1/2 values for
determining different spins.
37
37
Figure 2.9 The complete set of quantum numbers for each

of the 11 electrons in sodium
38
38
39
39
2003 Brooks/Cole Publishing / Thomson Learning
Figure 2.10 The electronegativities of selected elements

relative to the position of the elements in the periodic table
40
40
s orbitals
41
41
p orbitals
42
42
2s orbital
Nucleus
2p
orbitals
1s orbital
3s orbital
The quantum model of hydrogen

43
43
Example 16.9
Comparing Electronegativities
Using the electronic structures, compare the electronegativities
of calcium and bromine.
The electronic structures, obtained from Appendix C, are:
Ca: 1s22s22p63s23p6
4s2
Br: 1s22s22p63s23p63d10
4s24p5
Calcium has two electrons in its outer 4s orbital and bromine

has seven electrons in its outer 4s4p orbital. Calcium, with an
electronegativity of 1.0, tends to give up electrons and has low
electronegativity, but bromine, with an electronegativity of 2.8,
tends to accept electrons and is strongly electronegative. This
difference in electronegativity values suggests that these
elements may react readily to form a compound.
44
44
Section 2.4 The Periodic Table

III-V semiconductor is a semiconductor that is based on
group 3A and 5B elements (e.g. GaAs).
II-VI semiconductor is a semiconductor that is based on
group 2B and 6B elements (e.g. CdSe).
Transition elements are the elements whose electronic
configurations are such that their inner d and f levels
begin to fill up.
Electropositive element is an element whose atoms want
to participate in chemical interactions by donating
electrons and are therefore highly reactive.
45
45
46
46
Figure 2.11 (a) and (b) Periodic Table of Elements

47
47
Electronegativity
some elements
Valance:
It is of
related
with chemical activity of an
atom with another element and generally is
determined by outer the electron number of
combined sp level.
Mg: 1s 2 2s 2 2p 6 [3s 2 ] Valance: 2

Al: 1s 2 2s 2 2p 6 [3s 2 3p 1 ] Valance:3
Ge: 1s 2 2s 2 2p 6 3s 2 3p 6 3d 10 [4s 2 4p
] Valance:4
Electronegativity: Defines electron receiving

tendency of an atom and varies between 0-4,1
48
48
In this table the elements that their valance electron

structures are similar are arranged one under the
other.
The equal quantum shell number elements are listed in
a same row.
Columns are ranged in the horizontal direction in
terms of electrons numbers and take group numbers.
49
49

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Atomic Structure

Prof. Dr. Hatem AKBULUT

Prof. Dr. Hatem AKBULUT

Table 2.1 Levels of Structure

Atomic Arrangements: Lead-zirconium-titanate

Table 2.1 (Continued)

Paints for automobiles

Figures 2.5 2.7

Prof. Dr. Hatem AKBULUT

Atom= Nucleus (neutron+proton) + electron

Atomic number (Z) = Number of Protons in nucleus

Prof. Dr. Hatem AKBULUT

Atomic Mass: Equal to mass of the atom in

Alternative unit is the atomic mass unit (a.m.s.)

Prof. Dr. Hatem AKBULUT

Prof. Dr. Hatem AKBULUT

Example 2.2 SOLUTION

= (4/3)(1.5 10-7 cm)3

Example 2.3 SOLUTION

Prof. Dr. Hatem AKBULUT

Example 2.3 SOLUTION (Continued)

(5 1022)/(1017)= 5 105. This says that only 1

Prof. Dr. Hatem AKBULUT

Section 2.3 The Electronic Structure

Prof. Dr. Hatem AKBULUT

If sufficient energy is given to

Prof. Dr. Hatem AKBULUT

During the returning to the lower energy level,

A hydrogen atom model,

Prof. Dr. Hatem AKBULUT

According to Bohrs equation the energy at the base condition is

Adapted from Fig. 2.1,

Prof. Dr. Hatem AKBULUT

1s2 2s2 2p63s23p63d64s2.

In an orbital (box) diagram a box represents each

Prof. Dr. Hatem AKBULUT

Prof. Dr. Hatem AKBULUT

ELECTRON ENERGY STATES

have discrete energy states

Adapted from Table 2.2,

Prof. Dr. Hatem AKBULUT

Most elements: Electron configuration not stable. Why?

Quantum Numbers of Electrons

Secondary (Azimuthal) quantum number

1. Basic (primary) quantum number:

Additionally, basic quantum numbers

Prof. Dr. Hatem AKBULUT

2003 Brooks/Cole Publishing / Thomson Learning

Figure 2.8 The atomic structure of sodium, atomic number

2. Secondary (Azimuthal) quantum number(l):

Prof. Dr. Hatem AKBULUT

3. Magnetic quantum number (ml):

l=0 for ml =1 number, ml = 0

Prof. Dr. Hatem AKBULUT

4. Spin quantum number, ms

Prof. Dr. Hatem AKBULUT

Figure 2.9 The complete set of quantum numbers for each

Prof. Dr. Hatem AKBULUT

2003 Brooks/Cole Publishing / Thomson Learning

Figure 2.10 The electronegativities of selected elements

Prof. Dr. Hatem AKBULUT

Prof. Dr. Hatem AKBULUT

The quantum model of hydrogen

Calcium has two electrons in its outer 4s orbital and bromine