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Rnm n a1 ma2
a2
Nearest-neighbor vectors:
a1
n1 ax
n3 ax
n2 ay
n4 ay
p1 ax ay
p3 ax ay
p2 ax ay
p4 ax ay
u x Rnm , t
u Rnm , t
u y Rnm , t
u R2 , t u R1 m, t
u R1, t
m R2 R1
m
m
m
d 2u R1, t
dt
u R , t u R , t . m m u R m , t u R , t . m m
2
1
1
1
M
M
d 2u x R1, t
dt
dt
d 2u y R1, t
u R
u R
m
. x
m , t u R1, t . m
1 m, t
u R1, t . m m .y
Rnm n a1 ma2
Nearest-neighbor vectors:
n1 ax
n3 ax
a2
a1
d 2u Rnm , t
dt
n2 ay
n4 ay
p1 ax ay
p3 ax ay
u Rnm n j , t u Rnm , t . n j n j
j 1,2,3,4
2
u Rnm p j , t u Rnm , t . p j p j
1
j 1,2,3,4
p2 ax ay
p4 ax ay
summation
over 4 nn
summation
over 4 next
nn
d 2u Rnm , t
dt
Dynamical Equations
u Rnm n j , t u Rnm , t . n j n j
j 1,2,3,4
2
u Rnm p j , t u Rnm , t . p j p j
1
j 1,2,3,4
d 2u x Rnm , t
dt
u R , t u R n , t u R , t u R n , t
x nm
x nm
1 x nm
1
1 x nm
3
2
2
d 2u Rnm , t
dt
Dynamical Equations
u Rnm n j , t u Rnm , t . n j n j
j 1,2,3,4
2
u Rnm p j , t u Rnm , t . p j p j
1
j 1,2,3,4
d 2u y Rnm , t
dt
u R , t u R n , t u R , t u R n , t
1 y
2
1 y
4
nm
y
nm
nm
y
nm
u x Rnm , t u x q i q . R
nm e i t
u Rnm , t
u
q
,
u
R
t
y
y nm
Then:
u x Rnm n j , t u x q i q . R nm n j i t
u Rnm n j , t
e
e
u y Rnm n j , t u y q
i q . n j u x q i q . Rnm i t
e
e
u q e
y
i q . nj
e
u Rnm , t
We take the above solution form and plug it into the dynamical equations
2 qx a
41 sin 2 2 2 1 cosq x a cos q y a
2 2 sinq x a sin q y a
u x q
D q
2
u y q
M 0
0 M
u x q
u q
y
u x q
u q
Solutions:
1 200 N/m
2 100 N/m
X
2
a
u x q
2M
qy a
u q
2 2 1 cosq x a cos q y a y
41 sin2
2
2 2 sinq x a sin q y a
M 2x10-26 kg
FBZ
2
a
ECE 407 Spring 2009 Farhan Rana Cornell University
q a
2
41 x 2 q x a q y a
2
2 2 q x a q y a
2 2 q x a q y a
2
qy a
2
41
2 q x a q y a
2
u x q
2
u q M
y
u x q
u q
y
Case I: q x 0 , q y 0
1 2
LA q x
u x q x
1
u q A
0
y x
qx a
LA
TA q x
TA
u x q x
0
u q A
1
y x
qx a
FBZ
ECE 407 Spring 2009 Farhan Rana Cornell University
q a
2
41 x 2 q x a q y a
2
2 2 q x a q y a
Case II: q x 0 , q y 0
LA q
1 4 2
M
qa
2 2 q x a q y a
2
qy a
2 q x a 2 q y a
41
2
1
M
qa
LA
q x qy q
u x q
1
u q A
y
1
LA
TA
LA
TA q
u q
x 2M u x q
u q
u y q
y
TA
TA
u x q
1
u q A
y
1
FBZ
ECE 407 Spring 2009 Farhan Rana Cornell University
u x q A
u q
y
q
q x
q
y
LA
LA
TA
LA
TA
TA
u x q A q y
u q
y
q qx
In general, away from the zone center, the LA phonons are not entirely longitudinal
and neither the TA phonons are entirely transverse
LA
TA and LA
Rnm n a1 ma2
q 1 b1 2 b2
1 2 1 , 2 1 2
u x Rnm , t u x q i q . R
nm e i t
e
u Rnm , t
u y Rnm , t u y q
u x q i q . R nm N1a1 i t
u x q i q . R nm i t
e
e
u Rnm N1a1, t
u Rnm , t
e
e
u y q
u y q
e i q . N1a1 1
q . N1a1 m1 2
where
m1 is an integer
1
1
where - 1
2
2
N1
N1
m
where 2
2
2 1 N1 m1 2
1
m1
N1
Similarly:
m2
N2
b2
b1
FBZ
N2
N
m2 2
where 2
2
q 1 b1 2 b2
m1
N1
N1
N
m 1
where 2
2
m2
N2
N2
N
m2 2
where 2
2
FBZ
Rnm n a1 ma2
u1x
u1 Rnm d1, t u1y
u2 Rnm d 2 , t u2 x
u2 y
Rnm
Rnm
Rnm
Rnm
d1, t
d1, t
d2 , t
d2 , t
a2
a1
2nd nearest-neighbor vectors (red to red):
n1 ax
n3 ax
n2 ay
n4 ay
ax ay
h1
2
ax ay
h3
2
ax ay
h2
2
ax ay
h4
2
p1 ax ay
p3 ax ay
p2 ax ay
p4 ax ay
a2
a1
plus
2
3
y
a2
a1
ECE 407 Spring 2009 Farhan Rana Cornell University
d 2u1 Rnm d1, t
dt 2
2
u1Rnm d1 n j , t u1Rnm d1, t . n j n j
j 1,2,3,4
3
u1Rnm d1 p j , t u1Rnm d1, t . p j p j
1
j 1,2,3,4
j 1,2,3,4
summation
over 4 1st nn
summation
over 4 2nd nn
summation
over 4 3rd nn
M2
d 2u2 Rnm d 2 , t
dt 2
u2 Rnm d2 h j , t u2 Rnm d2 , t . h j h j
2
u2 Rnm d 2 n j , t u2 Rnm d 2 , t . n j n j
j 1,2,3,4
3
u2 Rnm d 2 p j , t u2 Rnm d 2 , t . p j p j
1
j 1,2,3,4
j 1,2,3,4
summation
over 4 1st nn
summation
over 4 2nd nn
summation
over 4 3rd nn
u1 Rnm
u2 Rnm
u1x
d1, t u1y
d 2 , t u2 x
u2 y
u1x q
u q
1y
2
D q
u2 x q
u q
2y
0
M1 0
0 M
0
1
0 M2
0
0
0
0
0
0
M2
u1x q
u q
1y
u2 x q
u q
2y
u1x q
u1y q
2
D q
u2 x q
u q
2y
0
M1 0
0 M
0
1
0 M2
0
0
0
0
0
0
M2
u1x q
u q
1y
u2 x q
u q
2y
2 3 sinq x a sin q y a
2 3 sinq x a sin q y a
qy a
21 4 2 sin2
2
2 3 1 cosq x a cos q y a
qy a
q a
21 cos x cos
2
2
qy a
q a
21 sin x sin
2
2
qy a
q a
21 sin x sin
2
2
qy a
q a
21 cos x cos
2
2
qy a
q a
21 cos x cos
2
2
qy a
q a
21 sin x sin
2
2
q a
21 4 2 sin2 x
2
2 3 1 cosq x a cos q y a
qy a
q a
21 sin x sin
2
2
qy a
q a
21 cos x cos
2
2
2 3 sinq x a sin q y a
2 3 sinq x a sin q y a
qy a
21 4 2 sin2
2
2 3 1 cosq x a cos q y a
2M1 M 2 4 10
26
Optical
bands
LO
kg
LO
1 300 N/m
2 200 N/m
3 100 N/m
LO
TO
TO
TO
LA
LA
TA
LA
TA
One obtains:
TA
Acoustic
bands
2
a
FBZ
2
a
10
LO q x 0
21
Mr
u1x q x
1
u q
0
1
y
x
A
u
q
M
M
2x x
1
2
u q
0
2y x
1
1
1
Mr M1 M 2
TO q x 0
21
Mr
u1x q x
0
u q
1
y
x
1
A
0
u2 x q x
u q
M
M
1
2
2y x
M
FBZ
ECE 407 Spring 2009 Farhan Rana Cornell University
LA q x 0 ?
u1x q x
1
u q
1
y
x
A 0
u2 x q x
1
u q
0
2y x
TO q x 0 ?
u1x q x
0
u q
1
y
x
A 1
u2 x q x
0
u q
1
2y x
FBZ
ECE 407 Spring 2009 Farhan Rana Cornell University
11
q 1 b1 2 b2
m1
N1
N1
N
m 1
where 2
2
m2
N2
N2
N
m2 2
where 2
2
12