pzo_slat.f90

   1 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
   2 !      This subroutine calculates the strain distribution              !
   3 !              inside and around the quantum dot                       !
   4 !                                                                      !
   5 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
   6
   7     SUBROUTINE PIEZO(P_SPONT,P_PIEZO)
   8
   9               Use Input_Data
  10               Use Dot_Geometry
  11               Use Auxiliar_Procedures, ONLY : AISO
  12               Use PZO_CALC
  13
  14       IMPLICIT NONE
  15
  16 !!!!! 'dummy' and local variables !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
  17
  18       REAL         ZM,THETA,CTHETA,STHETA,CHI, &
  19                    PZ_1,PZ_ETA1,PZ_ETA2,&
  20                    P_SP, P_PZ, X,Y,Z,ZMAUX,&
  21                    WL_AUX,BR_AUX,POTSP,POTPZ
  22
  23       REAL,DIMENSION(:,:,:) ::  P_SPONT,P_PIEZO
  24       INTEGER      I_X,I_Y,I_Z,I_N1,I_N2,I_N3
  25
  26       REAL, DIMENSION(3) :: R_SL,X_VEC,XI_VEC
  27
  28       !!! COMMON
  29       REAL :: RHO,ZETA,ETA
  30       COMMON /QAGON/RHO,ZETA,ETA
  31
  32 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
  33
  34       P_SPONT=0.E0;P_PIEZO=0.E0
  35
  36 ZD:   DO I_Z=1,ZDim
  37 !       WRITE(16,'(A,I3,A,I3)')"I_Z ",I_Z," of ",ZDIM
  38         Z=Z_Min+REAL(I_Z-1)*Z_Inc
  39 YD:   DO I_Y=1,YDim
  40         Y=Y_Min+REAL(I_Y-1)*Y_Inc
  41 XD:   DO I_X=1,XDim
  42         X=X_Min+REAL(I_X-1)*X_Inc
  43
  44         X_VEC=(/X,Y,Z/)
  45
  46         P_SP=0.E0;P_PZ=0.E0
  47
  48 N3:   DO I_N3=NMin_Z,NMax_Z
  49 N2:   DO I_N2=NMin_Y,NMax_Y
  50 N1:   DO I_N1=NMin_X,NMax_X
  51
  52       R_SL=REAL(I_N1)*A1_S+REAL(I_N2)*A2_S+REAL(I_N3)*A3_S
  53
  54       XI_VEC=X_VEC-R_SL
  55
  56       RHO=SQRT(XI_VEC(1)**2+XI_VEC(2)**2)/RC
  57       IF(XI_VEC(1).EQ.0.E0.AND.XI_VEC(2).EQ.0.E0) THEN
  58               CTHETA=1.E0/SQRT(2.E0); STHETA=1.E0/SQRT(2.E0) ! It is not the Mathematical limit
  59       ELSE
  60               THETA=ATAN(XI_VEC(2)/XI_VEC(1))
  61               CTHETA=Cos(THETA); STHETA=Sin(THETA)
  62       END IF
  63       ZETA=XI_VEC(3)/ZC
  64
  65           IF (RHO.LE.RD) THEN
  66              CALL SHAPERTOZ(MIN(RHO*RC,Rqd_Base),ZMAUX)
  67              ZM=ZMAUX/ZC
  68           ELSE
  69              ZM = 0.E0
  70           END IF
  71
  72
  73           IF (abs(zeta) .EQ. 0.E0 .OR. ZETA .EQ. ZM) THEN
  74               ZETA=ZETA-1.E-5
  75           END IF
  76
  77           CHI = 0.
  78           IF (RHO.LE.RD.AND.ZETA.GE.0.E0.AND.ZETA.LE.ZM) THEN
  79                   CHI = 1.
  80                   IF(I_N1.NE.0.OR.I_N2.NE.0.OR.I_N3.NE.0) THEN
  81                           WRITE(16,*)I_N1,I_N2,I_N3
  82                           WRITE(16,*)X_VEC(3),ZETA*ZC,ZM*ZC
  83                   END IF
  84           END IF
  85
  86           IF (HD.NE.0.E0) THEN
  87               IF(AISO.EQ.1) THEN
  88                  CALL PZOISO(POTSP,POTPZ)
  89               ELSE
  90                  CALL PZOANISO(POTSP,POTPZ)
  91               END IF
  92           ELSE
  93             POTSP=0.E0; POTPZ=0.E0
  94           END IF
  95
  96           P_SP=P_SP+POTSP
  97           P_PZ=P_PZ+POTPZ
  98
  99 !!!!!!!!!!!!!!!!!! Wetting Layer !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
 100
 101           IF(I_N1.EQ.0.AND.I_N2.EQ.0.AND.I_N3.EQ.0) THEN
 102
 103                WL_aux = ( abs(ZETA-(-D)) - abs(ZETA) )*ZC/RC
 104                BR_aux = ( abs(ZETA-(-C_S/ZC)) - abs(ZETA-(-D)) )*ZC/RC +&
 105                         ( abs(ZETA) - abs(ZETA-(C_S/ZC-D)) )*ZC/RC
 106
 107             P_SP=P_SP+CPZ/2.E0*RC*(CSPWL*WL_aux+CSPBR*BR_Aux)
 108             P_PZ=P_PZ+CPZ/2.E0*RC*CPZWL*WL_AUX
 109
 110            END IF
 111
 112 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
 113
 114
 115       END DO N1
 116       END DO N2
 117       END DO N3
 118
 119            P_SPONT(I_X,I_Y,I_Z)= P_SP
 120            P_PIEZO(I_X,I_Y,I_Z)= P_PZ
 121
 122 !           WRITE(26,'(10(E15.8,1X))')Z,P_SP,P_PZ,P_SP+P_PZ
 123
 124       END DO XD
 125       END DO YD
 126       END DO ZD
 127
 128 !     STOP
 129
 130       RETURN
 131       END SUBROUTINE PIEZO
 132
 133       DOUBLE PRECISION FUNCTION I_FI00(X)
 134        Use PZO_CALC
 135        Use Dot_Geometry
 136        Use Input_Data, ONLY: RC,ZC
 137        IMPLICIT NONE
 138
 139        DOUBLE PRECISION :: X
 140        !!! COMMON
 141        REAL :: RHO,ZETA,ETA,ZM
 142        COMMON /QAGON/RHO,ZETA,ETA
 143
 144        CALL SHAPERTOZ(MIN(SNGL(X)*RC,Rqd_Base),ZM)
 145        I_FI00=X*FI00(DBLE(RHO),DBLE(ZETA),X,DBLE(ZM/ZC),DBLE(ETA))
 146
 147        RETURN
 148
 149       END FUNCTION I_FI00
 150
 151       DOUBLE PRECISION FUNCTION I_FDA00(X)
 152        Use PZO_CALC
 153        Use Dot_Geometry
 154        Use Input_Data, ONLY: RC,ZC
 155        IMPLICIT NONE
 156
 157        DOUBLE PRECISION :: X
 158        !!! COMMON
 159        REAL :: RHO,ZETA,ETA,ZM
 160        COMMON /QAGON/RHO,ZETA,ETA
 161
 162        CALL SHAPERTOZ(MIN(SNGL(X)*RC,Rqd_Base),ZM)
 163        I_FDA00=X*FDA00(DBLE(RHO),DBLE(ZETA),X,DBLE(ZM/ZC),DBLE(ETA))
 164
 165        RETURN
 166
 167       END FUNCTION I_FDA00
 168