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Band Theory of Solids

Metallic bonding occurs when metal ions attract delocalized electrons within their sphere of influence. [1] Metals conduct electricity and heat well due to the mobility of delocalized valence electrons. Molecular orbital theory provides a more detailed picture of metallic bonding, explaining that electrons in metals cover the whole crystal lattice rather than being localized. [2,3,4] According to band theory, the atomic orbitals of metal atoms overlap to form extremely narrow energy bands, resulting in metals having partially filled or empty conduction bands which allow for electrical conductivity. The classification of materials as conductors, insulators, or semiconductors depends on their band structure and energy gaps. [5,6,7,10,

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Sachi Singh
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0% found this document useful (0 votes)
316 views18 pages

Band Theory of Solids

Metallic bonding occurs when metal ions attract delocalized electrons within their sphere of influence. [1] Metals conduct electricity and heat well due to the mobility of delocalized valence electrons. Molecular orbital theory provides a more detailed picture of metallic bonding, explaining that electrons in metals cover the whole crystal lattice rather than being localized. [2,3,4] According to band theory, the atomic orbitals of metal atoms overlap to form extremely narrow energy bands, resulting in metals having partially filled or empty conduction bands which allow for electrical conductivity. The classification of materials as conductors, insulators, or semiconductors depends on their band structure and energy gaps. [5,6,7,10,

Uploaded by

Sachi Singh
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© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
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Download as PPT, PDF, TXT or read online on Scribd
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By Dr.

Sachi Singh

Dr. Sachi Singh 1


Metallic Bonding :
The force of attraction that binds a metal ion to a number of electrons
within its sphere of influence .

Dr. Sachi Singh 2


 Why do metals conduct electricity and
nonmetals do not?

– Metals are good conductors of electricity because


of the mobility of these delocalized valence
electrons.

– A metal also conducts heat well because the mobile


electrons can carry additional kinetic energy.

Dr. Sachi Singh 3


 Molecular orbital theory gives a more detailed
picture of the bonding in metals.

Dr. Sachi Singh 4


 This theory explains the quantum state that an electron takes inside
metal solid. Every molecule comprises of various discrete energy
levels. The way electrons behave inside a molecule is well explained
through this theory.

 In molecules, Two atomic orbitals combine together to form a


molecular orbit with two distinct energy levels.

 In solids, 1023 stacked up lines confined in a tiny space would look


like a band. Thereby forming energy continuum called energy bands.

 This theory helps to visualize the difference between


conductor, semiconductor and an insulator by plotting available
energies for an electron in a material.
Dr. Sachi Singh 5
 This is a quantum-mechanical treatment of bonding in solids,
especially metals.

 • The spacing between energy levels is so minute in metals that the


levels essentially merge into a band.

 • When the band is occupied by valence electrons, it is called a


valence band.

 • A partially filled or low lying empty band of energy levels, which is


required for electrical conductivity, is a conduction band.

 • Band theory provides a good explanation of metallic luster and


metallic colors.

Dr. Sachi Singh 6


Dr. Sachi Singh 7
 According to MO theory, electrons in the metal are
considered to cover the whole crystal lattice and
are not localized between any two atom. Therefore
metallic bonding is formed by the delocalization
of all orbitals containing free electrons.

Dr. Sachi Singh 8


 According to molecular orbital theory when two atomic
orbitals of equal energy combine together to give two
molecular orbitals (one bonding and one antibonding).

 When three atomic orbitals of equal energy combined then


three molecular orbitals are formed (one bonding one
antibonding and one non-bonding).

 In a metallic crystal, there is a very large number of atoms


(ie, 1023). When these atoms combine, same number of
molecular orbitals will be formed.

Dr. Sachi Singh 9


 As the number of molecular orbitals formed is very large,
therefore, the energy separation between the various molecular
orbitals will be very small and thus appear to be a continuum,
called Quasi continuous energy band. Hence this theory is called
as Band theory.

 The band containing the valence electrons, is called the valence


band.

 A band that is either partly or completely vacant, is called


conduction band. The electrons occupying this band are called
conduction electrons.

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 The gap between the valence band and the conduction
band, is called forbidden band. No electron can exist in
this band. The width of the forbidden gap, is called
energy gap.

 Substances are classified into conductor, insulator &


semiconductor depending upon the filling of these
bands and the width of forbidden gap.

 Conductor: Band gap is zero that is valence band overlap


with the conduction band.
 Semi –conductor : Band gap is the order of 1ev.
 Insulators: Band gap is large

Dr. Sachi Singh 11


Dr. Sachi Singh 12
 Have a conduction band that is partially filled (e.g.
Group IA & Transition Metals) ....or....
 Have an empty conduction band that overlaps a

filled valence band (i.e. Have a narrow band gap)


◦ e.g. Group IIA Metals

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 All valence electrons are used to form covalent
bonds
 Have a large band gap between the filled valence

band and the empty conduction band


 Some examples

◦ Glass, diamonds, rubber, most plastics

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 Have a small band gap between the filled valence
band and the empty conduction band
 Thermal Energy can promote electrons from filled

valence band to empty conduction band


◦ e.g. Silicon

Dr. Sachi Singh 15


 p-type semiconductors
◦ Doped with a Group IIIA element
 Have one less electron than Si
 Causes positive holes in semi conductor
 Electricity flows through these positive holes

 n-type semiconductors
◦ Doped with a Group VA element
 Have one more electron than Si
 Causes negative holes in semiconductor
 Electricity flows through these negative holes

Dr. Sachi Singh 16


Conductor Insulator Semiconductor

The conductivity of
The conductivity of The conductivity of semiconductor is
conductor is very high. insulator is very low. moderate.

It has very high It has moderate


It has very low resistivity. resistivity. resistivity.

It has large forbidden It has small forbidden


It has no forbidden gap. gap. gap.

There is moderate
There is large number of There is small number number of electrons
electrons available for of electrons available available for
conduction. for conduction. conduction.

Examples: 
Metals, aluminium,
copper. Paper, Mica glass. Silicon, Germanium. 17
Dr. Sachi Singh 18

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