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Functional Materials Introduction

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Functional Materials

Lecture 1 & 2

Dr. Faisal Shahzad


Electrical Properties of Materials

Difference between metals and semi-conductors? Effect of temperature on


conductivity

Metals => Increase in resistivity as a result of increase in temperature


Semi-conductors => Decrease in resistivity as a result of increase in temperature.
An exponential increase in conductivity as a result of temperature is undesirable.
Therefore we need to control the conductivity and that is done by the addition of
dopants.

So what makes a material conductor, semi-conductor or insulator?

Band Structures:

The electronic band structure (or simply band structure) of a solid describes the
range of energy levels that electrons may have within it, as well as the ranges of
energy that they may not have (called band gaps).
Electrical Properties of Materials
Response to Electrical Forces

Ohm’s Law

First form

Second form
P= VI= I2R J = current density (A/cm2)
E = electric field (V/cm)
= resistivity (ohm.cm)
 = conductivity (ohm-1.cm-1)
Electrical Properties of Materials

d
d= V.t , where V is drift velocity of electrons

Volume = A*d = = A*V*t

If n is number of electrons;
Total number of electrons = A*V*t*n
Total charge = A*V*t*n*e

Current = Charge/time = A*V*t*n*e/t = A*V*n*e


Electrical Properties of Materials

Electrical conductivity covers an large range material


Metals ~ 107 ohm-1 m-1

Semiconductors ~ 10-6 ~ 104 ohm-1 m-1

Insulators ~ 10-10 ~ 10-20 ohm-1 m-1

Ionic conductor/ceramics= hopping, diffusion of ions


Band Structure of Solids
Only two electrons at most can take up the same energy leveal
Band Structure of Solids
Isolated Sodium atom Isolated Sodium atom

Atoms approaching each other


Band Structure of Solids
Fermi Energy
It is the energy level at which half of the possible energy levels in the
band are occupied by the electrons. It is the energy level where the
probability of finding an electron in 50 % (1/2).

When electrons gain energy, they are excited into empty higher energy
levels. The promotion of carriers to higher energy levels enables electrical
conduction.

Density functional theory (DFT)


studies have consistently predicted
that surface functionalization reduces
the Ti3C2Tx density of states (DOS) at
the Fermi level (EF), suggesting a
decrease in the charge carrier density
and thereby a decrease in the
conductivity

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