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Introduction into defect studies in ceramic materials(III) - Positron ...

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Defect Chemical Reaction<br />

5. Intr<strong>in</strong>sic Ionic and Electronic Defect<br />

Concentrations <strong>in</strong> MgO and NaCl. NaCl<br />

The lowest energy <strong>in</strong>tr<strong>in</strong>sic <strong>defect</strong> <strong>in</strong> MgO is the Schottky pair, with an<br />

enthalpy estimated to be 7.7 eV.<br />

The bandgap is rather close <strong>in</strong> value, be<strong>in</strong>g 7.65 eV at room<br />

temperature. At 1673 K the bandgap energy is Eg ~6.28 eV.<br />

For absolutely pure and stoichiometric MgO, the Schottky <strong>defect</strong><br />

concentration is given at a high temperature of 1400 ºC by:<br />

−12<br />

= 2.<br />

5×<br />

10 mole<br />

11 −3<br />

fraction = 1.<br />

4×<br />

10 cm<br />

The electron and hole concentrations at 1673 K are given by:<br />

n=<br />

p=<br />

K<br />

1/<br />

2<br />

i<br />

[ ] [ ] ••<br />

V ′<br />

= V<br />

=<br />

Mg<br />

⎛ E ⎞<br />

⎜−<br />

2 ⎟<br />

⎝ kT⎠<br />

⎛ kT ⎞<br />

⎜ ⎟<br />

⎝2πh<br />

⎠<br />

1/<br />

2<br />

g<br />

( ) ( ∗ ∗<br />

exp 2<br />

)<br />

3/<br />

4<br />

g<br />

N N ⎜ ⎟=<br />

m m exp⎜<br />

⎟ ( 2.<br />

36)<br />

c<br />

v<br />

O<br />

=<br />

K<br />

1/<br />

2<br />

s<br />

⎛ ∆hs<br />

≈ exp⎜−<br />

⎝ 2kT<br />

13<br />

⎞<br />

⎟<br />

⎠<br />

3/<br />

2<br />

e<br />

h<br />

( 2.<br />

35)<br />

⎛ E ⎞<br />

⎜−<br />

2 ⎟<br />

⎝ kT⎠<br />

( 20 −3<br />

) 10 −3<br />

1.<br />

3×<br />

10 cm exp( −6.<br />

28eV<br />

/ 2kT)<br />

= 4.<br />

6×<br />

10<br />

n<br />

= p =<br />

cm

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