This is a file where UVAS reads the physical parameters for the simulation.
DDP file has key words representing parameters and its values. These words can be:
Also, some parameters for clusters and complexes are defined with different values depending on the size. Click here to know more about the data structure for these ones.
Comments
(WARNING: search // for possible changes)
060628 new As and B parameters
060626 new Phosphorus parameters
060615 Version 14, new BIC parameters
060612 different IV gen/rec at Si interfaces
060606 new amorphiz. parameters
-------------------------------
(GLOBAL OPTIONS)
randomSeed 1 (int from 1 to 31327)
BitsBoxes 19 (max. number of boxes = 2^bitsbxs)
ChargeVarPercent 0.20 (maximum relative error allowed in Fermi level updates)
InitOutputTime 1.0 s
DebugFlag 4 (0:Normal, no debug; 1:No interactions between particles;
2:Intrinsic Fermi level; 3:MB statistics;
4:extended defects periodic in YZ, but diffusion jumps always mirror)
T-ramps: intervals from T-high are pow(dTBase,nInit+n) up to their max.
(dTLimit)
dTBase 2.0 (>1.) nInit 1 (int) dTLimit 20.0 degrees
--------------------------------------------------------------------------------
(POINT DEFECTS)
(Interstitial and Vacancy thermal generation)
C0relEq_I 1e4 (adim.) Eform_I 4.0 (eV)
C0relEq_V 1300 (adim.) Eform_V 3.8 (eV)
(Single Point Defects: migration)
Dm_V 1.e-3 (cm2/s) Em_V 0.4 (eV)
Dm_I 5e-2 Em_I 0.8
Dm_O 0.13 Em_O 2.53
Dm_C 0. Em_C 5.
Dm_B 0. Em_B 5.
Dm_F 5e-3 Em_F .8
Dm_H 1e-3 Em_H 1.1 (??)
Dm_In 0. Em_In 5.
Dm_As 0. Em_As 5.
Dm_Ph 0. Em_Ph 5.
Dm_Sb 0. Em_Sb 5.
(Charged Single Point Defects V-, V--, V+, V++, I-, I+: migration)
Dm_VM 1.e-3 (cm2/s) Em_VM 0.4 (eV)
Dm_VMM 1.e-3 (cm2/s) Em_VMM 0.5 (eV)
Dm_VP 1.e-3 (cm2/s) Em_VP 0.6 (eV)
Dm_VPP 1.e-3 (cm2/s) Em_VPP 0.8 (eV)
Dm_IM 5e-2 Em_IM 0.8
Dm_IP 5e-2 Em_IP 0.8
(Ci atom)
Dm_Ci 1.e-3 (cm2/s) Em_Ci 0.87 (eV) (migration)
Db_Ci 2.5 (cm2/s) Eb_Ci 1.7 (eV) (binding)
(Bi- atom)
Dm_BiM 1.e-3 (cm2/s) Em_BiM 0.3 (eV) (migration)
Db_BiM 0.9 (cm2/s) Eb_BiM 0.25 (eV)
(Bi atom)
Dm_Bi 1.e-3 (cm2/s) Em_Bi 0.1 (eV) (migration)
(Bi+ atom)
Dm_BiP 1.e-3 (cm2/s) Em_BiP 1.4 (eV) (migration)
(InV- Pair)
Dm_InVM 0. (cm2/s) Em_InVM 5. (eV) (migration)
Db_InVM 1.5e-3 (cm2/s) Eb_InVM 1.6 (eV) (binding)
(InV Pair)
Dm_InV 0. (cm2/s) Em_InV 5. (eV) (migration)
(Ini- atom)
Dm_IniM 2. (cm2/s) Em_IniM 2.2 (eV) (migration)
Db_IniM 0 (cm2/s) Eb_IniM 1.8 (eV) (bind)
(Ini atom)
Dm_Ini 1.6e-6 (cm2/s) Em_Ini 0.9 (eV) (migration)
(AsV+ Pair)
Dm_AsVP 1.5e-4 (cm2/s) Em_AsVP 1.3 (eV) (migration)
Db_AsVP 1e-3 (cm2/s) Eb_AsVP 1.01 (eV) (binding)
(Arsenic-Vacancy Pair)
Dm_AsV 1.5e-4 (cm2/s) Em_AsV 1.3 (eV) (migration)
(AsV- Pair)
Dm_AsVM 1.5e-4 (cm2/s) Em_AsVM 1.6 (eV) (migration)
(Asi+ atom)
Dm_AsiP 4e-2 (cm2/s) Em_AsiP 1.4 (eV) (migration)
Db_AsiP 5e-2 (cm2/s) Eb_AsiP 0.3 (eV) (binding)
(Asi atom)
Dm_Asi 4e-2 (cm2/s) Em_Asi 1.4 (eV) (migration)
(PhV+ Pair)
Dm_PhVP 0. (cm2/s) Em_PhVP 5. (eV) (migration)
Db_PhVP 5.e-3 (cm2/s) Eb_PhVP 0.6 (eV) (binding)
(Phosphorus-Vacancy Pair)
Dm_PhV 0. (cm2/s) Em_PhV 5. (eV) (migration)
(PhV- Pair)
Dm_PhVM 0. (cm2/s) Em_PhVM 5. (eV) (migration)
(Phi+ atom)
Dm_PhiP 2e-4 (cm2/s) Em_PhiP 1.3 (eV) (migration)
Db_PhiP 5e-2 (cm2/s) Eb_PhiP 1.5 (eV) (binding)
(Phi atom)
Dm_Phi 2e-4 (cm2/s) Em_Phi 1.3 (eV) (migration)
(Point defects. Electronic levels at T=0, in eV)
e_VMM0 1.06 (Fahey)
e_VM0 0.6 (Fahey)
e_VP0 0.03 (Watkins)
e_VPP0 0.13 (Watkins)
e_IM0 1.0 (J.Zhu)
e_IP0 0.35 (Bracht)
e_BiM0 0.8 (Ec-0.37 in agreement with Watkins)
e_BiP0 1.04 (Ec-0.13 in agreement with Watkins)
e_AsVM0 0.77 (Arsenic)
e_AsVP0 0.2 (Arsenic)
e_IniM0 0.6 ???(Indium)
e_InVM0 0.7 ???(Indium)
e_AsiP0 0.1
e_PhVM0 0.7 ? (Ec-0.45 after Watkings ?)
e_PhVP0 0 ???
e_PhiP0 1.1
(Band gap)
Eg0 1.17 (eV)
Agap 4.73e-4 (eV/K)
Bgap 636. (K)
Nc300 3.2e19 (cm-3)
Nv300 1.8e19 (cm-3)
expNc 1.5
expNv 1.5
(Band gap narrowing, Jain & Roulston's model.
Values, in eV, from Persson et al, JAP 86, 4419 (1999) )
Acn1_4 0
Acn1_3 -14.84e-3
Acn1_2 0.78e-3
Acp1_4 -16.27e-3
Acp1_3 0
Acp1_2 -0.18e-3
Avn1_4 15.08e-3
Avn1_3 0
Avn1_2 0.74e-3
Avp1_4 0
Avp1_3 18.46e-3
Avp1_2 -2.63e-3
---------------------------------------------------------------
(AMORPHIZATION-RECRYSTALLIZATION)
V0recryst 1.7e8 (cm/s) Erecryst 2.7 (eV) (recryst. velocity)
recrysDepositProb_As 0.3 recrysMaxActive_As 1e21 (cm-3) maxDepositedCxSize_As 4
recrysDepositProb_B 1.0 recrysMaxActive_B 3.5e20 (cm-3) maxDepositedCxSize_B 3
recrysDepositProb_Ph 0.3 recrysMaxActive_Ph 1e21 (cm-3) maxDepositedCxSize_Ph 3
recrysDepositProb_Sb 0.3 recrysMaxActive_Sb 1e21 (cm-3) maxDepositedCxSize_Sb 3
inRelDamChange 0.05 (controls the damage update frequency)
AmorphizationThreshold 1.5e22 (I+V / cm3)
MaxIVStorage 1e24 (set it to less than 1e22 for very large simulations to use
less memory)
LatticeCollapse_nm3 40
ExponentAmorphousPocket 1 (prefactor dependence on size)
D0AmorphousPocket 3e-4 (cm2/s)
Eac(minIV), NObarrier, maxmergesize=50
piecewise linear interpolation, default=recryst. energy
Eb_AmorphousPocket
1 0.68
80 1.0
235 2.7
-1
---------------------------------------------------------------
(CLUSTERS)
Vacancy Clusters:
D0_ClusterProp V 10 (cm2/s)
Default energies:
Eb_SmallestCluster V 1.5 (eV)
Eb_LargeCluster V 3.7 (eV)
exponent_Cluster V 0.6667
Reassigned energies from Staab et al., PRB 2002
(No voids rippening allowed by the moment)
Eb_Cluster V
2 1.4
3 1.4
4 2.4
5 3.0
6 3.4
7 0
8 2.4
9 3.4
10 3.4
11 0
12 2.4
13 3.0
14 3.0
15 0
16 0
17 0
-1 (-1 == end of array )
---------------------------------------------------------------
Interstitial Clusters
D0_ClusterProp I 100. (cm2/s)
Default energies:
Eb_SmallestCluster I 2.48 //2.57 (eV)
Eb_LargeCluster I 3.06 //3.34 (eV)
exponent_Cluster I 0.75 //0.9
Reassigned energies (modified Cowern set):
Eb_Cluster I
2 2.45
3 2.45
4 2.62
5 2.53
6 2.7
7 2.36
8 3.15
9 2.63
10 2.58
11 2.83
12 2.92
13 2.823
14 2.823
15 2.824
16 2.824
17 2.825
18 2.825
19 2.825
20 2.826
21 2.826
22 2.827
23 2.827
24 2.827
25 2.828
26 2.828
27 2.829
28 2.829
29 2.829
30 2.83
31 2.83
32 2.831
33 2.831
34 2.831
35 2.832
36 2.832
37 2.833
38 2.833
39 2.833
40 2.834
41 2.834
42 2.835
43 2.835
44 2.835
45 2.836
46 2.836
47 2.837
48 2.837
49 2.837
50 2.838
51 2.838
52 2.839
53 2.839
54 2.839
55 2.84
56 2.84
57 2.841
58 2.841
59 2.841
60 2.842
61 2.842
62 2.843
63 2.843
64 2.843
65 2.844
66 2.844
67 2.845
68 2.845
69 2.845
70 2.846
71 2.846
72 2.847
73 2.847
74 2.847
75 2.848
76 2.848
77 2.849
78 2.849
79 2.849
80 2.85
81 2.85
82 2.851
83 2.851
84 2.851
85 2.852
86 2.852
87 2.853
88 2.853
89 2.853
90 2.854
91 2.854
92 2.855
93 2.855
94 2.855
95 2.856
96 2.856
97 2.857
98 2.857
99 2.857
100 2.858
101 2.858
102 2.859
103 2.859
-1 (-1 == end of array )
---------------------------------------------------------------
(THREEONEONEs)
MIN311SIZE 33
size0_Clusterto311 0.3 (prefactor for cluster to 311 transition size)
EClusterto311 0.35 (eV)(-Eact for cluster to 311 transition size)
---------------------------------------------------------------
(DISLOCATION LOOPS)
Transition size model:
size0_311toDLoop 1.6 (prefactor for 311 to DLoop transition size)
(set to negative to deactivate the model)
E311toDLoop 0.68 (eV)(-Eact for 311 to DLoop transition size)
Transition rate model:
R0_311ToDL 0 //4.5e11 (s-1) (set to zero to deactivate the model)
Ebar0_311ToDL 3. (eV)
Ebar1_311ToDL 3. (eV)
expo_311ToDL 2. (Ebarr=Ebar0+Ebar1/(n/N0-1)**expo)
D0DLoopProp 2e5
gamma 0.4375
mu 472
nu 0.3
burgVectMod 0.3135
---------------------------------------------------------------
(PLATELETS)
D0PlateletProp 2e5
---------------------------------------------------------------
(VOIDS)
MINVoidsSIZE 27
size0_ClustertoVoids 0.3 (prefactor for cluster to Voids transition size)
EClustertoVoids 0.35 (eV)(-Eact for cluster to Voids transition size)
---------------------------------------------------------------
(COMPLEXES)
(I_B complex)
D0F_ComplexProp I B 200. (cm2/s)
Etotal_Complex I B
1 4 -3.6 2 4 -6.7 3 4 -9.5 4 4 -11.5 5 4 -11.5
1 3 -3.4 2 3 -3.8 3 3 -6.8 4 3 -6.8
0 2 +1.7 1 2 -1.0 2 2 -3.5 3 2 -5.4
2 1 -2.5
-1 (-1 == end of array )
EbarrierB_Complex I B
-1
EbarrierF_Complex I B
-1
---------------------------------------------------------------
(I_C complex) RP
Etotal_Complex I C
0 2 -1.2
1 2 -2.3
2 2 -7
1 3 -1.7
2 3 -9.7
3 3 -11.5
2 4 -12.5
3 4 -13.7
4 4 -16
3 5 -13
4 5 -20.5
5 5 -25
4 6 -25.4
5 6 -26.9
6 6 -30.9
7 7 -35.6
8 8 -40.3
9 9 -45
-1
EbarrierB_Complex I C
-1
EbarrierF_Complex I C
-1
---------------------------------------------------------------
(V_As complex)
Etotal_Complex V As
0 4 0 1 4 -5.4
0 3 0 1 3 -4.4
0 2 0 1 2 -3.9
-1
EbarrierB_Complex V As
-1
EbarrierF_Complex V As
-1
---------------------------------------------------------------
(V_Ph complex) uncalibrated
Etotal_Complex V Ph
0 4 0 1 4 -6 2 4 -10.3
0 3 0 1 3 -6
0 2 0 1 2 -5
-1
EbarrierB_Complex V Ph
-1
EbarrierF_Complex V Ph
-1
---------------------------------------------------------------
(V_F complex)
Etotal_Complex V F
1 1 -2.38
1 2 -4.63
1 3 -7.08
1 4 -7.12
1 5 -8.5
1 6 -9.7
1 7 3
0 2 -0.5
0 3 -1
0 4 -1.5
0 5 -3
0 6 -4.5
2 1 -4.20
2 2 -7.07
2 3 -9.04
2 4 -11.47
2 5 -13.29
2 6 -16.09
-1
EbarrierB_Complex V F
-1
EbarrierF_Complex V F
-1
---------------------------------------------------------------
Other MATERIALS:
INTERFACES and IMPURITY PARAMETERS
TRAPPING --------------------------
Oh-Ward model:
Set Csol0_ to its negative value to simulate impurity IN-DIFFUSION
into the Silicon side.
Set Surf_h0 to zero to simulate impurity MIRROR interface.
Set Surf_e_a0 to zero to simulate impurity SINK interface.
(Arsenic)
Csol0_As 2.2e22 Esol_As 0.47 (electrical[substitutional] solubility)
Surf_h0_As 2.31e-2 Surf_Eh_As 0.766
Surf_e_a0_As 0.4 Surf_Ee_a_As 0
SurfMaxTrap_As 3.0e14
(Boron)
Csol0_B 1.e24 Esol_B 1.
Surf_h0_B 1.66e-2 Surf_Eh_B 0.486
Surf_e_a0_B 0.178 Surf_Ee_a_B -0.086
SurfMaxTrap_B 2.0e14
(Phosphorus)
Csol0_Ph 1.e20 Esol_Ph 0.
Surf_h0_Ph 0.715 Surf_Eh_Ph 1.75
Surf_e_a0_Ph 4e-3 Surf_Ee_a_Ph -0.37
SurfMaxTrap_Ph 6.8e14
(Carbon)
Csol0_C 0 Esol_C 0.
Surf_h0_C 100 Surf_Eh_C 0
Surf_e_a0_C 4e-3 Surf_Ee_a_C -0.37
SurfMaxTrap_C 1e18
(Fluorine)
Csol0_F 0 Esol_F 0.
Surf_h0_F 100 Surf_Eh_F 0
Surf_e_a0_F 4e-3 Surf_Ee_a_F -0.37
SurfMaxTrap_F 1e18
----------------------------------------------------
Possible material names: Oxide, Nitride, AmorphousSi.
Append the material name to the PointD parameter name.
(do not add material name for Silicon)
Set RecLnm_X to -1 for no X(I or V) surf emiss/recombination.
Set Segreg_pref_ to zero to prevent jumps to the other side.
Set Segreg_pref_ to its negative value to simulate impurity IN-DIFFUSION
into the other material.
(OXIDE) ----------------------------------------------
(Si/Oxide Interface gen/recomb)
RecLnm_VOxide 0
RecLnm_IOxide 0
SuperSat_VOxide 1
SuperSat_IOxide 1
(Arsenic)
Segreg_pref_AsOxide 0.1 Segreg_eV_AsOxide 0.0
Dm_AsOxide 2.94e-4 Em_AsOxide 3.15
(Boron)
Segreg_pref_BOxide 3.3 Segreg_eV_BOxide 0.0
Dm_BOxide 3.12e-3 Em_BOxide 3.93
(Phosphorus)
Segreg_pref_PhOxide 30.0 Segreg_eV_PhOxide 0.0
Dm_PhOxide 14.2 Em_PhOxide 4.86
(NITRIDE) ----------------------------------------------
(Si/Nitride IV gen/recomb)
RecLnm_VNitride 0
RecLnm_INitride 0
SuperSat_VNitride 1
SuperSat_INitride 1
(Arsenic)
Segreg_pref_AsNitride 30.0 Segreg_eV_AsNitride 0.0
Dm_AsNitride 2.94e-4 Em_AsNitride 3.15
(Boron)
Segreg_pref_BNitride 30.0 Segreg_eV_BNitride 0.0
Dm_BNitride 3.12e-3 Em_BNitride 3.93
(Phosphorus)
Segreg_pref_PhNitride 30.0 Segreg_eV_PhNitride 0.0
Dm_PhNitride 14.2 Em_PhNitride 4.86
(AMORPHOUS Si) ----------------------------------------------
(Si/AmorphousSi IV gen/recomb)
RecLnm_VAmorphousSi 0
RecLnm_IAmorphousSi 0
SuperSat_VAmorphousSi 1
SuperSat_IAmorphousSi 1
(Arsenic)
Segreg_pref_AsAmorphousSi 1.0 Segreg_eV_AsAmorphousSi 0.0
Dm_AsAmorphousSi 0.0 Em_AsAmorphousSi 5
(Boron)
Segreg_pref_BAmorphousSi 1.0 Segreg_eV_BAmorphousSi 0.0
Dm_BAmorphousSi 0.0 Em_BAmorphousSi 5
(Phosphorus)
Segreg_pref_PhAmorphousSi 1.0 Segreg_eV_PhAmorphousSi 0.0
Dm_PhAmorphousSi 0.0 Em_PhAmorphousSi 5
____________________________________________________________________________
--PointD Interactions------------------------------------------------------
--PointD Interactions are set to false by default. To enable one interaction
--use the keyword "EnableInteraction" and then write the two species to
--interact, the result of the interaction (AmPock, PointD or ImpCluster) and the
--type of ImpCluster (I or V) or the resulting point defect. (none for AmPock)
--I--
EnableInteraction I I AmPock none
EnableInteraction I V AmPock none
EnableInteraction I As PointD Asi
EnableInteraction I B PointD Bi
EnableInteraction I C PointD Ci
EnableInteraction I In PointD Ini
EnableInteraction I Ph PointD Phi
EnableInteraction I AsV PointD As
EnableInteraction I AsVM PointD As
EnableInteraction I AsVP PointD As
EnableInteraction I Bi ImpCluster I
EnableInteraction I Ci ImpCluster I
EnableInteraction I IM AmPock none
EnableInteraction I IP AmPock none
EnableInteraction I PhV PointD Ph
EnableInteraction I PhVM PointD Ph
EnableInteraction I PhVP PointD Ph
EnableInteraction I VM AmPock none
EnableInteraction I VMM AmPock none
EnableInteraction I VP AmPock none
EnableInteraction I VPP AmPock none
--V--
EnableInteraction V V AmPock none
EnableInteraction V As PointD AsV
EnableInteraction V F ImpCluster V
EnableInteraction V O ImpCluster V
EnableInteraction V Ph PointD PhV
EnableInteraction V Asi PointD As
EnableInteraction V AsiP PointD As
EnableInteraction V AsV ImpCluster V
EnableInteraction V Bi PointD B
EnableInteraction V BiM PointD B
EnableInteraction V BiP PointD B
EnableInteraction V Ci PointD C
EnableInteraction V IM AmPock none
EnableInteraction V IP AmPock none
EnableInteraction V Ini PointD In
EnableInteraction V IniM PointD In
EnableInteraction V Phi PointD Ph
EnableInteraction V PhiP PointD Ph
EnableInteraction V PhV ImpCluster V
EnableInteraction V VM AmPock none
EnableInteraction V VMM AmPock none
EnableInteraction V VP AmPock none
EnableInteraction V VPP AmPock none
--As--
EnableInteraction As AsVM ImpCluster V
EnableInteraction As IM PointD Asi
EnableInteraction As VM PointD AsV
EnableInteraction As VMM PointD AsV
--B--
EnableInteraction B Bi ImpCluster I
EnableInteraction B IP PointD Bi
--C--
EnableInteraction C Ci ImpCluster I
--F--
EnableInteraction F F ImpCluster V
--H--
EnableInteraction H H Platelet none
--In--
EnableInteraction In IP PointD Ini
--O--
EnableInteraction O O ImpCluster V
--Ph--
EnableInteraction Ph IM PointD Phi
EnableInteraction Ph PhVM ImpCluster V
EnableInteraction Ph VM PointD PhV
EnableInteraction Ph VMM PointD PhV
--Asi--
EnableInteraction Asi AsV ImpCluster V
EnableInteraction Asi VM PointD As
EnableInteraction Asi VMM PointD As
EnableInteraction Asi VP PointD As
EnableInteraction Asi VPP PointD As
--AsiP--
EnableInteraction AsiP VM PointD As
EnableInteraction AsiP VMM PointD As
--AsV--
EnableInteraction AsV AsV ImpCluster V
EnableInteraction AsV IM PointD As
EnableInteraction AsV IP PointD As
--AsVM--
EnableInteraction AsVM IP PointD As
--AsVP--
EnableInteraction AsVP IM PointD As
--Bi--
EnableInteraction Bi Bi ImpCluster I
EnableInteraction Bi VM PointD B
EnableInteraction Bi VMM PointD B
EnableInteraction Bi VP PointD B
EnableInteraction Bi VPP PointD B
--BiM--
EnableInteraction BiM VP PointD B
EnableInteraction BiM VPP PointD B
--BiP--
EnableInteraction BiP VM PointD B
EnableInteraction BiP VMM PointD B
--Ci--
EnableInteraction Ci Ci ImpCluster I
--IM--
EnableInteraction IM IP AmPock none
EnableInteraction IM PhV PointD Ph
EnableInteraction IM PhVP PointD Ph
EnableInteraction IM VP AmPock none
EnableInteraction IM VPP AmPock none
--IP--
EnableInteraction IP PhV PointD Ph
EnableInteraction IP PhVM PointD Ph
EnableInteraction IP VM AmPock none
EnableInteraction IP VMM AmPock none
--Ini--
EnableInteraction Ini VM PointD In
EnableInteraction Ini VMM PointD In
EnableInteraction Ini VP PointD In
EnableInteraction Ini VPP PointD In
--IniM--
EnableInteraction IniM VP PointD In
EnableInteraction IniM VPP PointD In
--Phi--
EnableInteraction Phi PhV ImpCluster V
EnableInteraction Phi VM PointD Ph
EnableInteraction Phi VMM PointD Ph
EnableInteraction Phi VP PointD Ph
EnableInteraction Phi VPP PointD Ph
--PhiP--
EnableInteraction PhiP VM PointD Ph
EnableInteraction PhiP VMM PointD Ph
--PhV--
EnableInteraction PhV PhV ImpCluster V
--PhVM--
--PhVP--
--VM--
EnableInteraction VM VP AmPock none
EnableInteraction VM VPP AmPock none
--VMM--
EnableInteraction VMM VP AmPock none
EnableInteraction VMM VPP AmPock none
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