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These are the Lecture Slides Advanced Device Simulation which includes Discretized Numerical Method, Quantum Point Contact, Total Wave Function, Real Quantum Point, Quantum Dot, Transmission Coefficient, Transfer-Scattering Matrix Formalism etc. Key important points are: Yee Discrete Algorithm, Finite-Difference Time-Domain Method, Maxwell’s Equations, Discretization Steps, Numerical Constant, Yee’s Cell, Absorbing Boundary Conditions, Liao Extrapolation
Typology: Slides
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Numerical Techniques in Electromagnetics
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11. Yee’s discrete algorithm^ Maxwell’s equations are discretized using central FDs. Weset the magnetic loss equal to zero. Then,^ 0,
i^0 m^
m
,^ 1,^
, ,^
, ,^1
, ,
, ,^
, ,
0.^ 0.^
i j^ k^
i j k^
i j k^
i j k
i j k^
i j k
n^
n^
n^
n
z^
z^
y^
y
n^
n x^
x
t H^
y^
z
+^
+^
−^
, ,^1
, ,^
1, ,^
, ,
, ,^
, ,
0.^ 0.^
i j k^
i j k^
i^ j k^
i j k
i j k^
i j k
n^
n^
n^
n
x^
x^
z^
z
n^
n y^
y
t H^
z^
x
μ
+^
+^
−^
1, ,^
, ,^
,^ 1,^
, ,
, ,^
, ,
0.^ 0.^
i^ j k^
i j k^
i j^ k^
i j k
i j k^
i j k
n^
n^
n^
n
y^
y^
x^
x
n^
n z^
z
t H^
x^
y
μ
+^
+^
−^
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11. Yee’s discrete algorithm – cont. The above coefficients are obtained by averaging the
field, which appears in the loss term. For example,^ , ,^
, ,^
, ,^
, , , ,^
,^ 1,^
, ,^
, ,^1
, ,
1
1
0.^ 0.^ 0.^
2
i j k^
i j k^
i j k^
i j k i j k^
i j^ k^
i j k^
i j k
i j k
y^ i
x^
z e^ x^
ex
n^
n^
n^
n
x^
x^
x^
x e n^
n^
n^
n
z^
z^
y^
y^
i ex
H E^
t^
y^ z E^
t H^
y^
z
−
+^
+^
+^
+^
∂ ∂^
The discretization steps in time and in space, as well asthe numerical constant
are determined as
for the wave equation.
/c t h
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11. Yee’s discrete algorithm – cont. Yee’s cell^ ( , , ) E^ x i j k
E^ y ( , , )i j k H^ y ( , , )i j k
H^ z ( , , )i j k E^ x ( , ,^ 1)i j k+ E^ z ( , , )i j k
H^ x ( , , )i j k
x^ ( )i^ (^ z^ (^ )k y)j E^ x ( , 1, )i j^ k^ +
E^ x ( , 1,^ 1)i j k +^ + (^ 1, ,^ E^ y ( , ,^ 1)i j k+ E^ y 1)i j k + + E^ y ( 1, , )i j k +
E^ z ( 1,^ 1, )i j^ k + + E^ z ( ,^ 1, )i j^ k^ +
E^ z ( 1, , )i j k +
H^ y ( ,^ 1, )i j^ k^ + H^ x ( 1, , )i j k +
H^ z ( , ,^ 1)i j k+
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12. Absorbing (radiation) boundary conditions^ ABCs constitute a special type of BCs, which simulatereflection-free propagation out of the computational domain.ABCs are necessary in open (radiation/scattering)problems, as well as in guided-wave problems wherematched port terminations are needed.^ The simplest ABCs are associated with variousapproximations of a one-way plane wave propagation.^ • One-way wave equation (Mur’s ABC)^ • Liao extrapolation^ • Perfectly Matched Layers – basics^ • Others: Higdon operator, Bayliss-Turkel annihilatingoperators, etc.
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12. ABCs – cont. A.The one-way wave equation
(B.Engquist and A.Majda, “Absorbing
boundary conditions for the numerical simulation of waves,”
Mathematics of Computation
, vol.
31, 1977, pp. 629-
This is an equation which permits wave propagation in onlyone direction. Consider the 3-D scalar wave equation
2 2
2
2
2 2
2
f^ f
f^
f
x^ y
z^
c^ t ∂^ ∂
(^0) Lf =
The partial derivative operator is defined as
2 2
2
2 2
2 2
2 2
2 2
2
x^ y^
z^
t
c
x^ y
z^
c^ t
−
We wish to simulate one-way propagation along –
x^ at^ x =0. Docsity.com
12. ABCs – cont. This becomes obvious in the case of a plane wavepropagating along
+/-^ x.
1
1 , x^
t^
x^
t
c^
c
−^
−^
+^
−
z^
y^
f^ f L f^
x^ c^
t ∂^ −
Solution:
f^ x^ ct+
(^1) f f^0 L f^
x^ c^
t ∂^ +
Solution:
f^ x^ ct−
The radical appearing in
+^ L and
-^ L can be expanded using
Taylor series
2 1/ 2^
2
4 1 (1^ )
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12. ABCs – cont.^2 If^ S is very small, then
(^2)
The above is a first-order approximation of
S. This means
that the partial derivatives with respect to
y^ and^
z^ are very
small when compared with the partial derivative with respectto time scaled by the velocity of propagation
c. 2
2
2
1
1 y^
z t^
t
S^ c
c −^
− ∂^
This happens when the wave is incident upon the
x =const.
plane almost normally. The
-^ L operator then becomes 1
1 1
x^
t x t L^
c L f f^ c
f −^
− − − = ∂^ −^
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12. ABCs – cont.
2
2
2
2 1
xt^
tt^
yy^
zz c
L f^
f^
f^
f^ f c −^ = ∂^
at= 0 x^ =
2
2
2
2 1
xt^
tt^
yy^
zz c
L f^
f^
f^
f^ f c +^ = ∂^
max at^ x^
x=
2
2
2
2 1
yt^
tt^
xx^
zz c
L f^
f^
f^
f^ f c −^ = ∂^
at^
(^0) y =
2
2
2
2 1
yt^
tt^
xx^
zz c
L f^
f^
f^
f^ f c +^ = ∂^
max at^ y^
y= etc.
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12. ABCs – cont. Mur’s ABC of 2
nd^ order
(G. Mur, “Absorbing boundary conditions for the finite-
difference approximation of the time-domain electromagnetic field equations,”
IEEE Trans.
Electromagnetic Compatibility
, vol. 23, 1981, pp. 377-382.
Mur implemented the above approximate expressions intofinite-difference equations. Mur expands the partialderivatives in the
+^ L and
-^ L operators using central finite
differences of the field component about an auxiliary gridpoint displaced half a step along the direction of absorptionand along time. Consider propagation along –
x , at the
x =0 boundary. We
assume that the scalar function
f^ is evaluated at integer
spatial grid positions (
i , j , k ) and time positions
n.
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12. ABCs – cont. Substitute all the FD approximations above in
2
2
2 2 1
0 2 xt^
tt^ c yy^ zz L f^
f^
f^
f^ f c −^ =^ ∂^
−^ ∂^
+^ ∂^
=
The result is
1
1
1
1 1
2
0, ,^
0, ,^
1, ,^
0, ,^
0, ,^
1, ,
3 0,^
1,^
0, ,^
0,^ 1,^
1,^ 1,^
1, ,^
1,^ 1,
3 0, ,
1
0, ,^
0, ,^1
1, ,^1
1, ,^
1, ,^1
n^
n^
n^
n^
n^
n
j k^
j k^
j k^
j k^
j k^
j k
n^
n^
n^
n^
n^
n
y^ j^
k^
j k^
j^ k^
j^ k^
j k^
j^ k
n^
n^
n^
n^
n^
n
z^ j k^
j k^
j k^
j k^
j k^
j k
f^
f^ k
f^
f^
k^ f^
f
k^ f^
f^
f^
f^
f^
f
k^ f^
f^
f^
f^
f^
f
+^
−^
+^
− −^
+^
−^
−^
+^
−^
c t^1 x k^ c t
− + += x++ +^
x k^ c t
2 3
y
c t^ x k^
y^ c t^
x =^
3
z
c t^ x k^
z^ c t^
x =^
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12. ABCs – cont.^ Mur’s ABC of 1
st^ order To obtain Mur’s approximation of
(^1 0) x t L f^
f^ c^
f −^
− =^ ∂^ −
∂^
=
simply remove the 2nd order
y - and
z -derivatives from
the formula above:
1
1
1
1 1
2
0, ,^
0, ,^
1, ,^
0, ,^
0, ,^
1, ,
n^
n^
n^
n^
n^
n
j k^
j k^
j k^
j k^
j k^
j k
f^
f^ k
f^
f^
k^ f^
f
+^
−^
+^
−
= −^
c t^1 x k^ c t
− + += x++ +^
x k^ c t
In Yee’s algorithm, the
E -field components tangential to
the boundary are evaluated at this boundary. Forexample, at an
x =0 boundary wall, the
E and y^
E fieldz^
components define the boundary values of the EM fieldproblem. Mur’s ABC is applied to them.
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12. ABCs – cont.^ The field values used for the approximation are obtainedby a simultaneous shift in space-time:
1
max 2 max 3
max max 1
N m^
f^ f^
x^
c t t
m^
f^ f^
x^
c t t^
t
m^
f^ f^
x^
c t t^
t
m^ N^
f^ f^
x^ N
c t t^
t
α^ α α α =^ =
Notice that such representation corresponds to a wavepropagating in the +x direction:
f^ x^ ct−
We aim at finding
0
(^ ,^ max
f^ f^
x^ t^
t =^
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12. ABCs – cont.^ We now define backward finite-difference approximationth^ of^ p
order at the point
(^1 max
x^
c t t ξ
α =^
1
1 1 1 1
2 2
2
1 1 1
1
1 2 3
3
2
2 1
1
1
2 1 1
1
1
1
2
N^
N^
N
D f^
f^ f^
f
D^ f^
f^
f^ f
D f^
f^
f^
f
D^ f^
f^
f^
f
ξ^ ξ ξ ξ^
−^
−
≡ ∆^
1 2 f^ f^ f^2 ∆^ =^
2
1
1 2
2
3 f^
f^
f ∆^ = ∆
1 3 3 f^ f^ f^4 ∆^ =^
(^
)
max (^ )^
m^
m f^ f^
f^ x^
m^ c t t
m^
t
ξ
α
=^
We denote the discrete functions, which go back in spaceand time as (see previous slide)
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