magneto_energy.

nb 1

Clear@"Global`∗"D; Off@General::spellD; Off@General::spell1D; Off@RowReduce::lucD;

PARAMETER@xx_D := Module@8<,

H∗Universal_Constants∗L
h = 6.6 ∗ 10−34 ;
— = h ê H2 πL;
me = 9.1 ∗ 10−31 ;
q = 1.602 ∗ 10−19 ;
k = 1.38 ∗ 10−23 ;
T = xx;

offset = 100 k T ê q;

8ml, mm, mr< = 80.0139, 0.0139, 0.0139< me;

H∗Dimension∗L
n = 29;
a = 10. ∗ 10−10. ;

8al, am, ar< = 8a, a, a<;

g = 50;
Efl = 104 ∗ 10−3 ;
Efr = 104 ∗ 10−3 ;

8αl, αr< = 80.0, 0.0<;

b = 2;
u = 0.001;
D;

Barrier := 8
UE = U = B = A = Table@0, 8n<D;

8b, u< = 8b, u<;

Do@

If@i 1, B@@iDD = 2−3 bD;

If@i 2, B@@iDD = 2−2 bD;
If@i 3, B@@iDD = 2−1 bD;
If@i 5, B@@iDD = 20 bD;
If@i 6, B@@iDD = 2−1 bD;
If@i 7, B@@iDD = 2−2 bD;
If@i 8, B@@iDD = 2−3 bD;

If@i 9, B@@iDD = 2−3 bD;

If@i 10, B@@iDD = 2−2 bD;
If@i 11, B@@iDD = 2−1 bD;
magneto_energy.nb 2

If@i 12, B@@iDD = 20 bD;

If@i 13, B@@iDD = 2−1 bD;
If@i 14, B@@iDD = 2−2 bD;
If@i 15, B@@iDD = 2−3 bD;

If@i 16, B@@iDD = 2−3 bD;

If@i 17, B@@iDD = 2−2 bD;
If@i 18, B@@iDD = 2−1 bD;
If@i 19, B@@iDD = 20 bD;
If@i 20, B@@iDD = 2−1 bD;
If@i 21, B@@iDD = 2−2 bD;
If@i 22, B@@iDD = 2−3 bD;

If@i 23, B@@iDD = 2−3 bD;

If@i 24, B@@iDD = 2−2 bD;
If@i 25, B@@iDD = 2−1 bD;
If@i 26, B@@iDD = 20 bD;
If@i 27, B@@iDD = 2−1 bD;
If@i 28, B@@iDD = 2−2 bD;
If@i 29, B@@iDD = 2−3 bD;

If@i 30, B@@iDD = 2−3 bD;

If@i 31, B@@iDD = 2−2 bD;
If@i 32, B@@iDD = 2−1 bD;
If@i 33, B@@iDD = 20 bD;
If@i 34, B@@iDD = 2−1 bD;
If@i 35, B@@iDD = 2−2 bD;
If@i 36, B@@iDD = 2−3 bD;

If@i 37, B@@iDD = 2−3 bD;

If@i 38, B@@iDD = 2−2 bD;
If@i 39, B@@iDD = 2−1 bD;
If@i 40, B@@iDD = 20 bD;
If@i 41, B@@iDD = 2−1 bD;
If@i 42, B@@iDD = 2−2 bD;
If@i 43, B@@iDD = 2−3 bD;

If@i 44, B@@iDD = 2−3 bD;

If@i 45, B@@iDD = 2−2 bD;
If@i 46, B@@iDD = 2−1 bD;
If@i 47, B@@iDD = 20 bD;
If@i 48, B@@iDD = 2−1 bD;
If@i 49, B@@iDD = 2−2 bD;
If@i 50, B@@iDD = 2−3 bD;

If@i 51, B@@iDD = 2−3 bD;

magneto_energy.nb 3

If@i 52, B@@iDD = 2−2 bD;

If@i 53, B@@iDD = 2−1 bD;
If@i 54, B@@iDD = 20 bD;
If@i 55, B@@iDD = 2−1 bD;
If@i 56, B@@iDD = 2−2 bD;
If@i 57, B@@iDD = 2−3 bD;

, 8i, 1, n<D;

temp = 0;
Do@
temp = temp + a B@@iDD;
A@@iDD = temp;
, 8i, 1, n<D;

Do@
If@05 ≤ i ≤ 12, U@@iDD = uD;
If@19 ≤ i ≤ 26, U@@iDD = uD;
If@33 ≤ i ≤ 40, U@@iDD = uD;
If@47 ≤ i ≤ 54, U@@iDD = uD;
, 8i, 1, n<D;
<;

GFTrans@ε_, Vl_, Vr_, αl_, αr_, σ_D := ModuleA8<,

µl = Max@Efl, EfrD + Vl;

µr = Max@Efl, EfrD + Vr;
µ = µl − µr;

8t, tl, tr< = 9 =;

1 —2 1 1 1
, ,
q 2 am2 mm 2
al ml ar2 mr

ttransl = Htl tL0.5 ;

ttransr = Htr tL0.5 ;

q Hε − µl + EflL q Hε − µr + EfrL
8κl, κr< = 9$%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
2 %%%%%%%%%ml
%%%%%%% , $%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
2 %%%%%%%%%mr
%%%%%%% =;
—2 —2

−1 κl al
−1 κr ar
gl = ; gr = ;
tl tr

τl = ttransl ∗ gl ∗ ttransl;
τr = ttransr ∗ gr ∗ ttransr;

Barrier;
SRr = SRl = Hm = 0 ∗ IdentityMatrix@nD;

Hq ∗ AL;
1 —
qa =
q 2 mm am
magneto_energy.nb 4

Hq ∗ AL2 ;
1 1
w=
q 2 mm

Hq BL;
1 g—σ
Z=
q 4 me

Aa = H−qa − tL;
Ba = 2 t + w + Z + U;
Ca = Hqa − tL;

Aj@i_D := Aa@@iDD;
Bj@i_D := Ba@@iDD;
Cj@i_D := Ca@@iDD;

H* Create Matrix for self Energy *L

Do@
If@i == j,
If@i == n, SRr@@i, jDD = τrD;
If@i 1, SRl@@i, jDD = τlD;
D;,
8i, 1, n<, 8j, 1, n<D;

H* Create List for Potential due to E - Field *L

Hn − iL, 8i, 1, n<E;
µ
DoAUE@@iDD = µr +
n−1

H* Create Hamiltonian matrix *L

Do@
If@i == j − 1, Hm@@i, jDD = Aj@iDD;
If@i == j + 0, Hm@@i, jDD = Bj@iD + UE@@iDDD;
If@i == j + 1, Hm@@i, jDD = Cj@iDD;

8i, 1, n<, 8j, 1, n<D;

,

H* Defining Greens Function and Other variables*L

H∗
GR=retarded greens funtion;
GA=advanced greens function;
SAr=Advanced right Self energy;
SAl=Advanced left Self energy;
∗L
ME = IdentityMatrix@nD * ε − Hm;
GR = Inverse@ME − SRl − SRrD;
GA = Conjugate@GRD;

SAr = Conjugate@SRrD;
SAl = Conjugate@SRlD;
magneto_energy.nb 5

H1 + αlL
Γl = HSRl − SAlL ;
H1 + αrL
2
Γr = HSRr − SArL ;
2

H∗Transmission∗L

Ttemp = Abs@Tr@Γl .GR. Γr.GADD;

Tdist0 = UnitStep@ε − µrD − UnitStep@ε − µlD;

IfAT ≠ 0,

Tdist1 = J −I
ε−µl −1 ε−µr −1
k Têq + 1N k Têq + 1M ;

− kε−µl − kε−µr
Tdist2 = LogA Têq + 1E − LogA Têq + 1E;
Tdist1,

E;
Tdist0E

GFCurrent@Vl_, Vr_, αl_, αr_, σ_D := Module@8<,

H∗Integreate over the energy level to get total current∗L

µl = Max@Efl, EfrD + Vl;

µr = Max@Efl, EfrD + Vr;

If@µl > µr,

8min, max< = 8µr − offset, µl + offset<;,
8min, max< = 8µl − offset, µr + offset<D;

Itotal = NIntegrate@GFTrans@ε, Vl, Vr, αl, αr, σD, 8ε, min, max<, MaxRecursion → 100D
D;

Main@xx_, yy_D := Module@8<,

PARAMETER@xxD;
Vl = yy;
Vr = 0;

Iu = GFCurrent@Vl, Vr, αl, αr, +1D;

Id = GFCurrent@Vl, Vr, αl, αr, −1D;
8T, Iu, Id, 100 HId − IuL ê HIu + IdL, Iu + Id<
D

Main2@xx_, yy_D := Module@8<,

PARAMETER@xxD;
Vl = yy;
Vr = 0;
µl = Max@Efl, EfrD + Vl;
magneto_energy.nb 6

µr = Max@Efl, EfrD + Vr;

Iu = GFTrans@µl, Vl, Vr, +αl, +αr, +1D Hµl − µrL;

Id = GFTrans@µl, Vl, Vr, −αl, −αr, −1D Hµl − µrL;
8xx, Iu, Id, 100 HId − IuL ê HIu + IdL, Iu + Id<
D

PARAMETER@0D;
Vl = 10−2 ;
Vr = 0;
µl = Max@Efl, EfrD + Vl;
µr = Max@Efl, EfrD + Vr;

If@µl > µr,

8min, max< = 8µr − offset, µl + offset<;,
8min, max< = 8µl − offset, µr + offset<D;

p1a = Plot@GFTrans@ε, Vl, Vr, +αl, +αr, +1D, 8ε, 9.98, 10.08<D;
PARAMETER@0D;

p2a = Plot@GFTrans@ε, Vl, Vr, +αl, +αr, −1D, 8ε, 9.98, 10.08<D;
Show@p1a, p2a, PlotRange → All, Frame → 8True, True<, Axes → 8False, False<D;

p1b = Plot@GFTrans@ε, Vl, Vr, +αl, +αr, +1D, 8ε, 9.98, 10.05<D;
PARAMETER@50D;

p2b = Plot@GFTrans@ε, Vl, Vr, +αl, +αr, −1D, 8ε, 9.98, 10.05<D;
Show@p1b, p2b, PlotRange → All, Frame → 8True, True<, Axes → 8False, False<D;

p1c = Plot@GFTrans@ε, Vl, Vr, +αl, +αr, +1D, 8ε, 9.98, 10.06<D;
PARAMETER@200D;

p2c = Plot@GFTrans@ε, Vl, Vr, +αl, +αr, −1D, 8ε, 9.98, 10.06<D;
Show@p1c, p2c, PlotRange → All, Frame → 8True, True<, Axes → 8False, False<D;

Show@p1a, p2a, p1b, p2b, p1c, p2c, PlotRange → AllD

Main@0, VlD

p1ai = Table@GFTrans@ε, Vl, Vr, +αl, +αr, +1D, 8ε, 9.98, 10.08, 0.001<D;
PARAMETER@0D;

p2ai = Table@GFTrans@ε, Vl, Vr, +αl, +αr, −1D, 8ε, 9.98, 10.08, 0.001<D;

Export@"resultsêp1ai.dat", p1aiD
Export@"resultsêp2ai.dat", p2aiD

p1a = Table@GFTrans@ε, Vl, Vr, +αl, +αr, +1D, 8ε, 9.98, 10.08, 0.001<D;
PARAMETER@0D;

p2a = Table@GFTrans@ε, Vl, Vr, +αl, +αr, −1D, 8ε, 9.98, 10.08, 0.001<D;
magneto_energy.nb 7

p1b = Table@GFTrans@ε, Vl, Vr, +αl, +αr, +1D, 8ε, 9.98, 10.08, 0.001<D;
PARAMETER@50D;

p2b = Table@GFTrans@ε, Vl, Vr, +αl, +αr, −1D, 8ε, 9.98, 10.08, 0.001<D;

p1c = Table@GFTrans@ε, Vl, Vr, +αl, +αr, +1D, 8ε, 9.98, 10.08, 0.001<D;
PARAMETER@200D;

p2c = Table@GFTrans@ε, Vl, Vr, +αl, +αr, −1D, 8ε, 9.98, 10.08, 0.001<D;

Export@"resultsêp1a.dat", p1aD
Export@"resultsêp2a.dat", p2aD
Export@"resultsêp1b.dat", p1bD
Export@"resultsêp2b.dat", p2bD
Export@"resultsêp1c.dat", p1cD
Export@"resultsêp2c.dat", p2cD
Null
1

0.8

0.6

0.4

0.2

9.98 10.02 10.04 10.06 10.08

1

0.8

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0.4

0.2

9.98 10.02 10.04 10.06 10.08

magneto_energy.nb 8

0.8

0.6

0.4

0.2

0
9.98 10 10.02 10.04 10.06 10.08

0.5

0.4

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0.2

0.1

9.98 9.99 10.01 10.02 10.03 10.04 10.05

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0.2

0.1

9.98 9.99 10.01 10.02 10.03 10.04 10.05

0.5

0.4

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0.2

0.1

0
9.98 9.99 10 10.01 10.02 10.03 10.04 10.05
magneto_energy.nb 9

0.14

0.12

0.1

0.08

0.06

0.04

0.02

9.98 10.02 10.04 10.06

0.14

0.12

0.1

0.08

0.06

0.04

0.02

9.98 10.02 10.04 10.06

0.14

0.12

0.1

0.08

0.06

0.04

0.02
9.98 10 10.02 10.04 10.06

0.8

0.6

0.4

0.2

9.98 10.02 10.04 10.06 10.08

Graphics

80, 0.01, 0.01, 0., 0.02<

magneto_energy.nb 10

resultsêp1ai.dat

resultsêp2ai.dat

resultsêp1a.dat

resultsêp2a.dat

resultsêp1b.dat

resultsêp2b.dat

resultsêp1c.dat

resultsêp2c.dat

0.00025

0.0002

0.00015

0.0001

0.00005

0
9.98 9.99 10 10.01 10.02 10.03 10.04 10.05

80, 1.29917 × 10−6 , 1.6445 × 10−6 , 11.7312, 2.94368 × 10−6 <

0.014

0.012

0.01

0.008

0.006

0.004

0.002

0
9.98 9.99 10 10.01 10.02 10.03 10.04 10.05

8200, 0.0000715671, 0.0000788384, 4.83448, 0.000150406<

magneto_energy.nb 11

0.0004

0.0003

0.0002

0.0001

0
9.98 9.99 10 10.01 10.02 10.03 10.04 10.05

850, 3.33221 × 10−6 , 4.80731 × 10−6 , 18.1227, 8.13952 × 10−6 <

0.00025
0.0002
0.00015
0.0001
0.00005
0
10
10.002
10.004
10.006
10.008
10.01

80, 1.29917 × 10−6 , 1.6445 × 10−6 , 11.7312, 2.94368 × 10−6 <