input_pzo.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   INTEGER,PRIVATE :: NDots_X,NDots_Y,NDots_Z
  12
  13   !!! Material Parameters
  14   REAL, SAVE   :: XLAMB,XMU,C13,C33,C11,EPSC,EPSA
  15   !!! Calculation Constants
  16   REAL, SAVE   :: ETA1,ETA2,ETA_DIF,CN31_1,CN31_2,&
  17                   BISUM,BIZZ,BIAUX
  18
  19   !!! Normalized Dot Parameters
  20   REAL, SAVE :: RC,ZC,D,RD,HD
  21
  22   !!! PIEZOELECTRIC CONSTANTS
  23   REAL, PRIVATE :: PZE15,PZE31,PZE33,PSPB,PSPW,DIELEC
  24   REAL, SAVE    :: CI1,CI2,CI3
  25   REAL, SAVE    :: CNE2_1,CNE2_2,CNE_1,CNE_2,CSP,CPZ
  26   REAL, SAVE    :: CSPWL,CSPBR,CPZWL,CPZ_Q1,CPZ_Q2
  27
  28   CONTAINS
  29
  30   SUBROUTINE READ_INPUT()
  31
  32       Use Dot_Geometry
  33       Use Auxiliar_Procedures, ONLY : AISO, MTYPE
  34
  35   IMPLICIT NONE
  36
  37       INTEGER :: G_Method
  38       REAL    :: D_Z
  39       REAL,DIMENSION(3) :: V_AUX
  40
  41
  42
  43 !!!!! read data from data file !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
  44
  45       READ (*,*)
  46       READ (*,*)
  47       READ (*,*)
  48       READ (*,*)
  49 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
  50       READ (*,*)
  51       READ (*,*) DWL            ! Wetting layer thickness (A)
  52       READ (*,*) ISHAPE         ! Shape of the dot
  53       READ (*,*) HQD            ! Height of the quantum dot (A)
  54       READ (*,*) Rqd_Base       ! Base Radius (A)
  55       READ (*,*) Rqd_Top        ! Top Radius (A)
  56 !!! Superlattice Begins !!!!
  57       READ (*,*)
  58       READ (*,*) A_S,B_S,C_S
  59       READ (*,*) A1_S(1),A1_S(2),A1_S(3)
  60       READ (*,*) A2_S(1),A2_S(2),A2_S(3)
  61       READ (*,*) A3_S(1),A3_S(2),A3_S(3)
  62       READ (*,*) NDots_X,NDots_Y,NDots_Z
  63       V_AUX=(/A_S,B_S,C_S/)
  64       A1_S=A1_S*V_AUX
  65       A2_S=A2_S*V_AUX
  66       A3_S=A3_S*V_AUX
  67       IF(MOD(NDots_X,2).EQ.0) THEN
  68               NDots_X=NDots_X+1
  69               WRITE(6,'(A,1X,I3)')"Warning: NDots_X Even -> NDots_X=",NDots_X
  70       END IF
  71       IF(MOD(NDots_Y,2).EQ.0) THEN
  72               NDots_Y=NDots_Y+1
  73               WRITE(6,'(A,1X,I3)')"Warning: NDots_Y Even -> NDots_Y=",NDots_Y
  74       END IF
  75       IF(MOD(NDots_Z,2).EQ.0) THEN
  76               NDots_Z=NDots_Z+1
  77               WRITE(6,'(A,1X,I3)')"Warning: NDots_Z Even -> NDots_Z=",NDots_Z
  78       END IF
  79       IF(NDots_X.EQ.1) THEN
  80               NMin_X=0; NMax_X=0
  81       ELSE
  82               NMin_X=-(NDots_X-1)/2; NMax_X=-NMin_X
  83       END IF
  84       IF(NDots_Y.EQ.1) THEN
  85               NMin_Y=0; NMax_Y=0
  86       ELSE
  87               NMin_Y=-(NDots_Y-1)/2; NMax_Y=-NMin_Y
  88       END IF
  89       IF(NDots_Z.EQ.1) THEN
  90               NMin_Z=0; NMax_Z=0
  91       ELSE
  92               NMin_Z=-(NDots_Z-1)/2; NMax_Z=-NMin_Z
  93       END IF
  94 !!! Grid Begins !!!!
  95       READ (*,*)
  96       READ (*,*) G_Method
  97       READ (*,*) X_Min,X_Max
  98       READ (*,*) Y_Min,Y_Max
  99       READ (*,*) Z_Min,Z_Max
 100       READ (*,*) XDim,YDim,ZDim
 101
 102       IF(G_Method.EQ.1) THEN
 103            IF(XDim.EQ.1) THEN
 104               X_Max=X_Min
 105            ELSE
 106               X_Max=A1_S(1)/2.E0
 107               X_Min=0.E0
 108            END IF
 109            IF(YDim.EQ.1) THEN
 110               Y_Max=Y_Min
 111            ELSE
 112               Y_Max=A2_S(2)/2.E0
 113               Y_Min=0.E0
 114            END IF
 115            IF(ZDim.EQ.1) THEN
 116               Z_Max=Z_Min
 117            ELSE
 118               Z_Max=A3_S(3)/2.E0
 119               D_Z=Z_Max-(Hqd+DWL)/2.E0
 120               Z_Max=Hqd+D_Z
 121               Z_Min=-DWL-D_Z
 122            END IF
 123       END IF
 124
 125       IF (XDim.EQ.1) THEN
 126               X_Inc=0.E0
 127       ELSE
 128               X_Inc=(X_Max-X_Min)/REAL(XDim-1)
 129       END IF
 130       IF (YDim.EQ.1) THEN
 131               Y_Inc=0.E0
 132       ELSE
 133               Y_Inc=(Y_Max-Y_Min)/REAL(YDim-1)
 134       END IF
 135       IF (ZDim.EQ.1) THEN
 136               Z_Inc=0.E0
 137       ELSE
 138               Z_Inc=(Z_Max-Z_Min)/REAL(ZDim-1)
 139       END IF
 140
 141 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
 142
 143       READ (*,*)
 144       READ (*,*) C11,C13,C33    ! Elastic modulus
 145       READ (*,*) XLAMB,XMU      ! Lame constants
 146       READ (*,*) EPSA           ! Misfit strain: EPS0
 147       READ (*,*) EPSC           ! Misfit strain: EPSC
 148       READ (*,*) PZE15,PZE31,PZE33 !Piezoelectric Constants
 149       READ (*,*) PSPB,PSPW      ! Spontaneous Polarization
 150       READ (*,*) DIELEC         ! Barrier Dielectric Constant
 151       READ (*,*) MTYPE          ! MTYPE: 1-> WZI, 2-> WZA
 152       IF (MTYPE.LT.2) THEN
 153 !      C13=XLAMB; C11=XLAMB+2.E0*XMU; C33=C11
 154 !      EPSC=EPSA
 155        AISO=1
 156 !      WRITE(6,*)"ERROR: WZ ISO NOT IMPLEMENTED"
 157 !      STOP
 158       ELSE
 159        AISO=0
 160       END IF
 161       READ (*,*) KCOOR          ! KCOOR=0 Cartesian Coordinates
 162                                 ! KCOOR=1 Cylindrical Coordinates
 163       IF(KCOOR.EQ.1.AND.YDIM.GT.1) THEN
 164          WRITE(6,*)"ERROR: Selected coordinates are cylindrical and YDIM.GT.1"
 165          WRITE(6,*)"       Exiting Program"
 166          STOP
 167       END IF
 168       READ (*,*)
 169 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
 170
 171
 172       RETURN
 173
 174     END SUBROUTINE READ_INPUT
 175
 176     SUBROUTINE CONSTANTS( )
 177         Use Dot_Geometry, ONLY: DWL
 178         Use Auxiliar_Procedures, ONLY : AISO
 179       IMPLICIT NONE
 180
 181       REAL :: ALPHA,BETA,GAMA
 182       REAL :: R,S,A1,A2,B1,B2
 183       REAL :: CN3_1,CN3_2,P1,P2,P3
 184       REAL :: ETA_AUX, PI
 185
 186       PI=4.E0*ATAN(1.E0)
 187
 188 !!!! Remember: XLAMB=C12, XMU=C44 !!!!!
 189
 190       !!! ISO CONSTANTS
 191       BISUM =  2.*EPSA          ! Biaxial strain components
 192       BIZZ  = -2.*EPSA*XLAMB/(XLAMB+2.*XMU)
 193       BIAUX =  EPSA-BIZZ
 194
 195       R=(C11+XLAMB+C13)*EPSA+C13*(EPSC-EPSA)
 196       S=(C33+C13-XLAMB-C11)*EPSA+(C33-C13)*(EPSC-EPSA)
 197
 198       ALPHA=-XMU*C33
 199
 200       R=R/ALPHA; S=S/ALPHA
 201
 202       A1=R*(C33-XMU-C13)-S*(C13+XMU)
 203       A2=R*XMU
 204
 205       B1=S*(C13+2.E0*XMU)-R*(C33-C13-2.E0*XMU)
 206       B2=S*C11-R*(C13+2.E0*XMU-C11)
 207
 208       BETA=( C13*(C13+2.E0*XMU)-C11*C33 )/(-XMU*C33)
 209       GAMA=C11/C33
 210
 211       CN3_1=A1+B1;      CN3_2=A2+B2
 212
 213       P1=2.E0*PZE15; P2=PZE31; P3=PZE33
 214
 215       CI1=2.E0*EPSA*P2+EPSC*P3
 216       CI2=P3
 217       CI3=1.E0
 218
 219       CNE_1=(P1+P2-P3)*A1+(P1/2-P3)*B1
 220       CNE_2=(P1+P2-P3)*A2+(P1/2-P3)*B2
 221
 222       ETA_AUX=SQRT(BETA**2 - 4.E0*GAMA)
 223       ETA1=(-BETA+ETA_AUX)/2.E0
 224       ETA2=(-BETA-ETA_AUX)/2.E0
 225       IF(ETA1.GT.0.E0.OR.ETA2.GT.0.E0) THEN
 226         WRITE(6,*)"ERROR: ETA1 AND ETA2 ARE GREATHER THAN ZERO"
 227         STOP
 228       END IF
 229       ETA1=ABS(ETA1)
 230       ETA2=ABS(ETA2)
 231
 232       ETA_DIF=ETA1-ETA2
 233
 234       CN31_1=(CN3_2/SQRT(ETA2)-CN3_1*SQRT(ETA2))
 235       CN31_2=(CN3_2/SQRT(ETA1)-CN3_1*SQRT(ETA1))
 236
 237       CNE2_1=(1.E0-ETA1)*(CNE_2/SQRT(ETA2)-CNE_1*SQRT(ETA2))
 238       CNE2_2=(1.E0-ETA2)*(CNE_2/SQRT(ETA1)-CNE_1*SQRT(ETA1))
 239
 240       CSP=(PSPW-PSPB)
 241       !!! V=q/(4*PI*E0)*PZ=0.9*PZ eV
 242       CPZ=0.9*(4.E0*PI/DIELEC)
 243       CPZ_Q1=(BISUM*PZE31+BIZZ*PZE33)
 244       CPZ_Q2=(BIAUX*(PZE33-(PZE31+2.E0*PZE15)))
 245
 246 !!!   Wetting Layer Parameters
 247
 248       IF(NDots_z.GT.1) THEN
 249         CSPWL=CSP*(C_S-DWL)/C_S
 250         CSPBR=-CSP*(DWL/C_S)
 251       ELSE
 252         CSPWL=CSP
 253         CSPBR=0.E0
 254       END IF
 255
 256         IF(AISO.EQ.0) THEN
 257            CPZWL=(PZE31-PZE33*(C13/C33))*BISUM
 258         ELSE
 259            CPZWL=(BISUM*PZE31+BIZZ*PZE33)
 260         END IF
 261
 262       RETURN
 263
 264     END SUBROUTINE CONSTANTS
 265
 266
 267   END MODULE INPUT_DATA
 268
 269