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02/07/2014 PHY 712 Spring 2014 -- Lecture 10 1
PHY 712 Electrodynamics
10-10:50 AM MWF Olin 107
Plan for Lecture 10:
Complete reading of Chapter 4
A. Microscopic macroscopic
polarizability
B. Clausius-Mossotti equation
C. Electrostic energy in dielectric
media
02/07/2014 PHY 712 Spring 2014 -- Lecture 10 2
02/07/2014 PHY 712 Spring 2014 -- Lecture 10 3
 
 
     
















 


 
r
p
p
r
p
r
r
E
r
p
r
r
r
r
p
p
3
5
2
0
3
0
3
3
4
3
4
1
:
dipole
single
from
field
tic
Electrosta
4
1
:
dipole
single
from
potential
tic
Electrosta
:
of
extent
the
outside
For
'
'
'
:
moment
Dipole





r
r
r
r
)
ρ(
r
d
Focus on dipolar fields:
02/07/2014 PHY 712 Spring 2014 -- Lecture 10 4
Microscopic origin of dipole moments
 Polarizable isotropic atoms/molecules
 Charge anisotropic molecules
Polarizable isotropic atoms/molecules
+q
x
E
k=mw0
2 0
:
m
equilibriu
At
2
0
2
0
w


w
m
q
m
q
E
x
x
E



02/07/2014 PHY 712 Spring 2014 -- Lecture 10 5
E
+q
x
k=mw0
2
E
E
x
E
x
x
E
mol
m
q
q
p
m
q
m
q


w

w


w
0
2
0
2
2
0
2
0
:
moment
dipole
Induced
0
:
m
equilibriu
At






Polarizable isotropic atoms/molecules – continued:
02/07/2014 PHY 712 Spring 2014 -- Lecture 10 6
Alignment of molecules with permanent dipoles p0:
E
p0
E
E
E
p
mol
kT
pE
kT
E
p
mol
kT
p
e
d
e
p
d





0
2
0
/
cos
/
cos
0
3
1
cos
:
on
distributi
Boltzmann
a
assuming
estimated
field,
electric
an
in
moment
average
its
dipole
rotating
freely
a
For
0







02/07/2014 PHY 712 Spring 2014 -- Lecture 10 7
Field due to collection of induced dipoles
1
7
3
2
5
4
6
9
8
0
0
)
(
0
i
tot
i
j
ext
j
i
site
ext
i
i
tot
E
E
E
E
E
E
E
E









     










 r
p
p
r
p
r
r
E 3
5
2
0 3
4
3
4
1
:
dipole
single
from
field
tic
Electrosta


 r
r
02/07/2014 PHY 712 Spring 2014 -- Lecture 10 8
Field due to collection of induced dipoles -- continued
1
7
3
2
5
4
6
9
8
     
 
 
P
E
p
E
E
E
p
r
p
r
r
E
E
r
p
p
r
p
r
r
E
0
0
)
(
5
2
0
)
(
3
5
2
0
3
1
3
1
1
3
4
1
3
4
3
4
1


















 


















tot
tot
i
site
ext
i
j
j
j
i
site
ext
i
i
i
i
tot
V
r
r
r
r
0
0
)
(
0
i
tot
i
j
ext
j
i
site
ext
i
i
tot
E
E
E
E
E
E
E
E









02/07/2014 PHY 712 Spring 2014 -- Lecture 10 9
Field due to collection of induced dipoles -- continued
1
7
3
2
5
4
6
9
8
tot
e
mol
tot
mol
tot
mol
site
mol
tot
i
site
V
V
V
V
E
E
P
P
E
p
P
E
p
P
E
E











0
0
0
0
0
0
)
(
1
3
1
1
3
1






























2
/
1
/
3
3
1 0
0







 V
V
V
mol
mol
mol
e
Claussius-Mossotti equation
02/07/2014 PHY 712 Spring 2014 -- Lecture 10 10
Example of the Clausius-Mossotti equation –
Pentane (C5H12) at various densities
Density (g/cm3) Mol/m3 e/e0 3V*(e/e0-1)/(e/e0+2)
0.613 5.12536E+27 1.82 1.25646E-28
0.701 5.86114E+27 1.96 1.24084E-28
0.796 6.65544E+27 2.12 1.22536E-28
0.865 7.23236E+27 2.24 1.2131E-28
0.907 7.58353E+27 2.33 1.2151E-28
02/07/2014 PHY 712 Spring 2014 -- Lecture 10 11
Re-examination of electrostatic energy in dielectric media
 
)
(
)
(
2
1
)
(
)
(
2
1
0
)
(
)
(
2
1
)
(
)
(
2
1
)
(
2
1
)
(
:
field
nt
displaceme
of
In terms
)
(
)
(
2
1
3
3
3
3
3
3
r
E
r
D
r
E
r
D
r
r
D
r
r
D
r
D
r
D
r
r




























r
d
W
r
d
r
d
r
d
r
d
W
r
d
W
mono
mono


02/07/2014 PHY 712 Spring 2014 -- Lecture 10 12
Comment on the “Modern Theory of Polarization”
Some references:
 R. D.King-Smith and D. Vanderbilt, Phys.
Rev. B 47, 1651 (1993)
 R. Resta, Rev. Mod. Physics 66, 699 (1994)
 R, Resta, J. Phys. Condens. Matter 23,
123201 (2010)
P
D
E
D
P
E













0
0
:
equations
Basic







mono
bound
mono
bound
tot
Note: In general P is highly dependent on the boundary values;
often it is more convenient/meaningful to calculate DP.
02/07/2014 PHY 712 Spring 2014 -- Lecture 10 13
Comment on the “Modern Theory of Polarization”
-- continued



D
D

D

D

D


n
n
n
crystal
electronic
electronic
nuclear
bound
w
w
V
e
bound
bound
0
0 r
P
P 



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Lecture10.pptx

  • 1. 02/07/2014 PHY 712 Spring 2014 -- Lecture 10 1 PHY 712 Electrodynamics 10-10:50 AM MWF Olin 107 Plan for Lecture 10: Complete reading of Chapter 4 A. Microscopic macroscopic polarizability B. Clausius-Mossotti equation C. Electrostic energy in dielectric media
  • 2. 02/07/2014 PHY 712 Spring 2014 -- Lecture 10 2
  • 3. 02/07/2014 PHY 712 Spring 2014 -- Lecture 10 3                                 r p p r p r r E r p r r r r p p 3 5 2 0 3 0 3 3 4 3 4 1 : dipole single from field tic Electrosta 4 1 : dipole single from potential tic Electrosta : of extent the outside For ' ' ' : moment Dipole      r r r r ) ρ( r d Focus on dipolar fields:
  • 4. 02/07/2014 PHY 712 Spring 2014 -- Lecture 10 4 Microscopic origin of dipole moments  Polarizable isotropic atoms/molecules  Charge anisotropic molecules Polarizable isotropic atoms/molecules +q x E k=mw0 2 0 : m equilibriu At 2 0 2 0 w   w m q m q E x x E   
  • 5. 02/07/2014 PHY 712 Spring 2014 -- Lecture 10 5 E +q x k=mw0 2 E E x E x x E mol m q q p m q m q   w  w   w 0 2 0 2 2 0 2 0 : moment dipole Induced 0 : m equilibriu At       Polarizable isotropic atoms/molecules – continued:
  • 6. 02/07/2014 PHY 712 Spring 2014 -- Lecture 10 6 Alignment of molecules with permanent dipoles p0: E p0 E E E p mol kT pE kT E p mol kT p e d e p d      0 2 0 / cos / cos 0 3 1 cos : on distributi Boltzmann a assuming estimated field, electric an in moment average its dipole rotating freely a For 0       
  • 7. 02/07/2014 PHY 712 Spring 2014 -- Lecture 10 7 Field due to collection of induced dipoles 1 7 3 2 5 4 6 9 8 0 0 ) ( 0 i tot i j ext j i site ext i i tot E E E E E E E E                           r p p r p r r E 3 5 2 0 3 4 3 4 1 : dipole single from field tic Electrosta    r r
  • 8. 02/07/2014 PHY 712 Spring 2014 -- Lecture 10 8 Field due to collection of induced dipoles -- continued 1 7 3 2 5 4 6 9 8           P E p E E E p r p r r E E r p p r p r r E 0 0 ) ( 5 2 0 ) ( 3 5 2 0 3 1 3 1 1 3 4 1 3 4 3 4 1                                       tot tot i site ext i j j j i site ext i i i i tot V r r r r 0 0 ) ( 0 i tot i j ext j i site ext i i tot E E E E E E E E         
  • 9. 02/07/2014 PHY 712 Spring 2014 -- Lecture 10 9 Field due to collection of induced dipoles -- continued 1 7 3 2 5 4 6 9 8 tot e mol tot mol tot mol site mol tot i site V V V V E E P P E p P E p P E E            0 0 0 0 0 0 ) ( 1 3 1 1 3 1                               2 / 1 / 3 3 1 0 0         V V V mol mol mol e Claussius-Mossotti equation
  • 10. 02/07/2014 PHY 712 Spring 2014 -- Lecture 10 10 Example of the Clausius-Mossotti equation – Pentane (C5H12) at various densities Density (g/cm3) Mol/m3 e/e0 3V*(e/e0-1)/(e/e0+2) 0.613 5.12536E+27 1.82 1.25646E-28 0.701 5.86114E+27 1.96 1.24084E-28 0.796 6.65544E+27 2.12 1.22536E-28 0.865 7.23236E+27 2.24 1.2131E-28 0.907 7.58353E+27 2.33 1.2151E-28
  • 11. 02/07/2014 PHY 712 Spring 2014 -- Lecture 10 11 Re-examination of electrostatic energy in dielectric media   ) ( ) ( 2 1 ) ( ) ( 2 1 0 ) ( ) ( 2 1 ) ( ) ( 2 1 ) ( 2 1 ) ( : field nt displaceme of In terms ) ( ) ( 2 1 3 3 3 3 3 3 r E r D r E r D r r D r r D r D r D r r                             r d W r d r d r d r d W r d W mono mono  
  • 12. 02/07/2014 PHY 712 Spring 2014 -- Lecture 10 12 Comment on the “Modern Theory of Polarization” Some references:  R. D.King-Smith and D. Vanderbilt, Phys. Rev. B 47, 1651 (1993)  R. Resta, Rev. Mod. Physics 66, 699 (1994)  R, Resta, J. Phys. Condens. Matter 23, 123201 (2010) P D E D P E              0 0 : equations Basic        mono bound mono bound tot Note: In general P is highly dependent on the boundary values; often it is more convenient/meaningful to calculate DP.
  • 13. 02/07/2014 PHY 712 Spring 2014 -- Lecture 10 13 Comment on the “Modern Theory of Polarization” -- continued    D D  D  D  D   n n n crystal electronic electronic nuclear bound w w V e bound bound 0 0 r P P   