input_str.f90

   1   MODULE Input_Data
   2   IMPLICIT NONE
   3
   4   REAL, SAVE  :: A_S,B_S,C_S ! -> Superlattice constants
   5   REAL, DIMENSION(3), SAVE :: A1_S,A2_S,A3_S ! -> Superlattice vectors
   6   INTEGER, SAVE :: NMin_X,NMax_X,NMin_Y,NMax_Y,NMin_Z,NMax_Z
   7   REAL, SAVE    :: X_Min,X_Max,Y_Min,Y_Max,Z_Min,Z_Max
   8   REAL, SAVE    :: X_Inc,Y_Inc,Z_Inc
   9   INTEGER, SAVE :: XDim,YDim,ZDim
  10   INTEGER, SAVE :: KCOOR
  11
  12   !!! Material Parameters
  13   REAL, SAVE   :: XLAMB,XMU,C13,C33,C11,EPSC,EPSA
  14   !!! Calculation Constants
  15   REAL, SAVE   :: ETA1,ETA2,ETA_DIF,CN02_1,CN02_2,CN42_1,CN42_2,&
  16                   CN31_1,CN31_2,CN1_2G,BISUM,BIZZ,BIAUX
  17
  18   !!! Normalized Dot Parameters
  19   REAL, SAVE :: RC,ZC,D,RD,HD
  20
  21   CONTAINS
  22
  23   SUBROUTINE READ_INPUT()
  24
  25       Use Dot_Geometry
  26       Use Auxiliar_Procedures, ONLY : AISO, MTYPE
  27
  28   IMPLICIT NONE
  29
  30       INTEGER :: NDots_X,NDots_Y,NDots_Z
  31       INTEGER :: G_Method
  32       REAL    :: D_Z
  33       REAL,DIMENSION(3) :: V_AUX
  34
  35
  36
  37 !!!!! read data from data file !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
  38
  39       READ (*,*)
  40       READ (*,*)
  41       READ (*,*)
  42       READ (*,*)
  43 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
  44       READ (*,*)
  45       READ (*,*) DWL            ! Wetting layer thickness (A)
  46       READ (*,*) ISHAPE         ! Shape of the dot
  47       READ (*,*) HQD            ! Height of the quantum dot (A)
  48       READ (*,*) Rqd_Base       ! Base Radius (A)
  49       READ (*,*) Rqd_Top        ! Top Radius (A)
  50 !!! Superlattice Begins !!!!
  51       READ (*,*)
  52       READ (*,*) A_S,B_S,C_S
  53       READ (*,*) A1_S(1),A1_S(2),A1_S(3)
  54       READ (*,*) A2_S(1),A2_S(2),A2_S(3)
  55       READ (*,*) A3_S(1),A3_S(2),A3_S(3)
  56       READ (*,*) NDots_X,NDots_Y,NDots_Z
  57       V_AUX=(/A_S,B_S,C_S/)
  58       A1_S=A1_S*V_AUX
  59       A2_S=A2_S*V_AUX
  60       A3_S=A3_S*V_AUX
  61       IF(MOD(NDots_X,2).EQ.0) THEN
  62               NDots_X=NDots_X+1
  63               WRITE(6,'(A,1X,I3)')"Warning: NDots_X Even -> NDots_X=",NDots_X
  64       END IF
  65       IF(MOD(NDots_Y,2).EQ.0) THEN
  66               NDots_Y=NDots_Y+1
  67               WRITE(6,'(A,1X,I3)')"Warning: NDots_Y Even -> NDots_Y=",NDots_Y
  68       END IF
  69       IF(MOD(NDots_Z,2).EQ.0) THEN
  70               NDots_Z=NDots_Z+1
  71               WRITE(6,'(A,1X,I3)')"Warning: NDots_Z Even -> NDots_Z=",NDots_Z
  72       END IF
  73       IF(NDots_X.EQ.1) THEN
  74               NMin_X=0; NMax_X=0
  75       ELSE
  76               NMin_X=-(NDots_X-1)/2; NMax_X=-NMin_X
  77       END IF
  78       IF(NDots_Y.EQ.1) THEN
  79               NMin_Y=0; NMax_Y=0
  80       ELSE
  81               NMin_Y=-(NDots_Y-1)/2; NMax_Y=-NMin_Y
  82       END IF
  83       IF(NDots_Z.EQ.1) THEN
  84               NMin_Z=0; NMax_Z=0
  85       ELSE
  86               NMin_Z=-(NDots_Z-1)/2; NMax_Z=-NMin_Z
  87       END IF
  88 !!! Grid Begins !!!!
  89       READ (*,*)
  90       READ (*,*) G_Method
  91       READ (*,*) X_Min,X_Max
  92       READ (*,*) Y_Min,Y_Max
  93       READ (*,*) Z_Min,Z_Max
  94       READ (*,*) XDim,YDim,ZDim
  95
  96       IF(G_Method.EQ.1) THEN
  97            IF(XDim.EQ.1) THEN
  98               X_Max=X_Min
  99            ELSE
 100               X_Max=A1_S(1)/2.E0
 101               X_Min=0.E0
 102            END IF
 103            IF(YDim.EQ.1) THEN
 104               Y_Max=Y_Min
 105            ELSE
 106               Y_Max=A2_S(2)/2.E0
 107               Y_Min=0.E0
 108            END IF
 109            IF(ZDim.EQ.1) THEN
 110               Z_Max=Z_Min
 111            ELSE
 112               Z_Max=A3_S(3)/2.E0
 113               D_Z=Z_Max-(Hqd+DWL)/2.E0
 114               Z_Max=Hqd+D_Z
 115               Z_Min=-DWL-D_Z
 116            END IF
 117       END IF
 118
 119       IF (XDim.EQ.1) THEN
 120               X_Inc=0.E0
 121       ELSE
 122               X_Inc=(X_Max-X_Min)/REAL(XDim-1)
 123       END IF
 124       IF (YDim.EQ.1) THEN
 125               Y_Inc=0.E0
 126       ELSE
 127               Y_Inc=(Y_Max-Y_Min)/REAL(YDim-1)
 128       END IF
 129       IF (ZDim.EQ.1) THEN
 130               Z_Inc=0.E0
 131       ELSE
 132               Z_Inc=(Z_Max-Z_Min)/REAL(ZDim-1)
 133       END IF
 134
 135 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
 136
 137       READ (*,*)
 138       READ (*,*) C11,C13,C33    ! Elastic modulus
 139       READ (*,*) XLAMB,XMU      ! Lame constants
 140       READ (*,*) EPSA           ! Misfit strain: EPS0
 141       READ (*,*) EPSC           ! Misfit strain: EPSC
 142       READ (*,*) MTYPE          ! MTYPE: 1-> ZBI, 2-> WZI, 3-> WZA
 143       IF (MTYPE.LT.3) THEN
 144        AISO=1
 145       ELSE
 146        AISO=0
 147       END IF
 148       READ (*,*) KCOOR          ! KCOOR=0 Cartesian Coordinates
 149                                 ! KCOOR=1 Cylindrical Coordinates
 150       IF(KCOOR.EQ.1.AND.YDIM.GT.1) THEN
 151          WRITE(6,*)"ERROR: Selected coordinates are cylindrical and YDIM.GT.1"
 152          WRITE(6,*)"       Exiting Program"
 153          STOP
 154       END IF
 155       READ (*,*)
 156 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
 157
 158
 159       RETURN
 160
 161     END SUBROUTINE READ_INPUT
 162
 163     SUBROUTINE CONSTANTS( )
 164
 165       IMPLICIT NONE
 166
 167       REAL :: ALPHA,BETA,GAMA
 168       REAL :: R,S,A1,A2,B1,B2
 169       REAL :: CN1_1,CN1_2,CN3_1,CN3_2,CN4_1,CN4_2
 170       REAL :: ETA_AUX
 171
 172 !!!! Remember: XLAMB=C12, XMU=C44 !!!!!
 173
 174       !!! ISO CONSTANTS
 175       BISUM =  2.*EPSA          ! Biaxial strain components
 176       BIZZ  = -2.*EPSA*XLAMB/(XLAMB+2.*XMU)
 177       BIAUX =  EPSA-BIZZ
 178
 179       R=(C11+XLAMB+C13)*EPSA+C13*(EPSC-EPSA)
 180       S=(C33+C13-XLAMB-C11)*EPSA+(C33-C13)*(EPSC-EPSA)
 181
 182       ALPHA=-XMU*C33
 183
 184       R=R/ALPHA; S=S/ALPHA
 185
 186       A1=R*(C33-XMU-C13)-S*(C13+XMU)
 187       A2=R*XMU
 188
 189       B1=S*(C13+2.E0*XMU)-R*(C33-C13-2.E0*XMU)
 190       B2=S*C11-R*(C13+2.E0*XMU-C11)
 191
 192       BETA=( C13*(C13+2.E0*XMU)-C11*C33 )/(-XMU*C33)
 193       GAMA=C11/C33
 194
 195       CN1_1=A1;         CN1_2=A2
 196       CN3_1=A1+B1;      CN3_2=A2+B2
 197       CN4_1=A1+B1/2.E0; CN4_2=A2+B2/2.E0
 198
 199       ETA_AUX=SQRT(BETA**2 - 4.E0*GAMA)
 200       ETA1=(-BETA+ETA_AUX)/2.E0
 201       ETA2=(-BETA-ETA_AUX)/2.E0
 202       IF(ETA1.GT.0.E0.OR.ETA2.GT.0.E0) THEN
 203         WRITE(6,*)"ERROR: ETA1 AND ETA2 ARE GREATHER THAN ZERO"
 204         STOP
 205       END IF
 206       ETA1=ABS(ETA1)
 207       ETA2=ABS(ETA2)
 208
 209       ETA_DIF=ETA1-ETA2
 210
 211       CN02_1=(CN1_2/ETA2-CN1_1)
 212       CN02_2=(CN1_2/ETA1-CN1_1)
 213
 214       CN31_1=(CN4_1*SQRT(ETA2)-CN4_2/SQRT(ETA2))
 215       CN31_2=(CN4_1*SQRT(ETA1)-CN4_2/SQRT(ETA1))
 216
 217       CN42_1=(CN3_1*ETA2-CN3_2)
 218       CN42_2=(CN3_1*ETA1-CN3_2)
 219
 220       CN1_2G=CN1_2/GAMA
 221
 222       RETURN
 223
 224     END SUBROUTINE CONSTANTS
 225
 226
 227   END MODULE INPUT_DATA
 228
 229