str_slat.f90

   1 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
   2 !      This subroutine calculates the strain distribution              !
   3 !              inside and around the quantum dot                       !
   4 !                                                                      !
   5 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
   6
   7     SUBROUTINE STRAIN0(EXX,EYY,EZZ,EXY,EXZ,EYZ)
   8
   9               Use Input_Data
  10               Use Dot_Geometry
  11               Use Auxiliar_Procedures, ONLY : AISO
  12               Use STRAIN_CALC
  13
  14       IMPLICIT NONE
  15
  16 !!!!! 'dummy' and local variables !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
  17
  18       REAL         ZM,THETA,CTHETA,STHETA,CHI, &
  19                    EESUM,EEDIF,EERR,EE00,EEZZ,E2ZZ,EERZ,&
  20                    EEXX,EEYY,EEXY,EEXZ,EEYZ,X,Y,Z,ZMAUX
  21       REAL,DIMENSION(:,:,:) ::  EXX,EYY,EZZ,EXY,EXZ,EYZ
  22       INTEGER      I_X,I_Y,I_Z,I_N1,I_N2,I_N3
  23
  24       REAL, DIMENSION(3) :: R_SL,X_VEC,XI_VEC
  25
  26       !!! COMMON
  27       REAL :: RHO,ZETA,ETA
  28       COMMON /QAGON/RHO,ZETA,ETA
  29
  30 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
  31
  32       EXX=0.E0;EYY=0.E0;EZZ=0.E0;EXY=0.E0;EXZ=0.E0;EYZ=0.E0
  33
  34 ZD:   DO I_Z=1,ZDim
  35         WRITE(16,'(A,I3,A,I3)')"I_Z ",I_Z," of ",ZDIM
  36         Z=Z_Min+REAL(I_Z-1)*Z_Inc
  37 YD:   DO I_Y=1,YDim
  38         Y=Y_Min+REAL(I_Y-1)*Y_Inc
  39 XD:   DO I_X=1,XDim
  40         X=X_Min+REAL(I_X-1)*X_Inc
  41
  42         X_VEC=(/X,Y,Z/)
  43
  44        EEXX=0.E0;EEYY=0.E0;EEXY=0.E0;EEXZ=0.E0;EEYZ=0.E0;EEZZ=0.E0
  45
  46 N3:   DO I_N3=NMin_Z,NMax_Z
  47 N2:   DO I_N2=NMin_Y,NMax_Y
  48 N1:   DO I_N1=NMin_X,NMax_X
  49
  50       R_SL=REAL(I_N1)*A1_S+REAL(I_N2)*A2_S+REAL(I_N3)*A3_S
  51
  52       XI_VEC=X_VEC-R_SL
  53
  54       RHO=SQRT(XI_VEC(1)**2+XI_VEC(2)**2)/RC
  55       IF(XI_VEC(1).EQ.0.E0.AND.XI_VEC(2).EQ.0.E0) THEN
  56               CTHETA=1.E0/SQRT(2.E0); STHETA=1.E0/SQRT(2.E0) ! It is not the Mathematical limit
  57       ELSE
  58               THETA=ATAN(XI_VEC(2)/XI_VEC(1))
  59               CTHETA=Cos(THETA); STHETA=Sin(THETA)
  60       END IF
  61       ZETA=XI_VEC(3)/ZC
  62
  63           IF (RHO.LE.RD) THEN
  64              CALL SHAPERTOZ(MIN(RHO*RC,Rqd_Base),ZMAUX)
  65              ZM=ZMAUX/ZC
  66           ELSE
  67              ZM = 0.E0
  68           END IF
  69
  70
  71           IF (abs(zeta) .EQ. 0.E0 .OR. ZETA .EQ. ZM) THEN
  72               ZETA=ZETA-1.E-5
  73           END IF
  74
  75           CHI = 0.
  76           IF (RHO.LE.RD.AND.ZETA.GE.0.E0.AND.ZETA.LE.ZM) THEN
  77                   CHI = 1.
  78                   if(I_N1.NE.0.OR.I_N2.NE.0.OR.I_N3.NE.0) THEN
  79                           WRITE(16,*)I_N1,I_N2,I_N3
  80                           WRITE(16,*)X_VEC(3),ZETA*ZC,ZM*ZC
  81                   END IF
  82           END IF
  83
  84           IF (AISO.EQ.1) THEN
  85              CALL STRISO(EESUM,EEDIF,E2ZZ,EERZ,CHI)
  86           ELSE
  87              CALL STRANISO(EESUM,EEDIF,E2ZZ,EERZ,CHI)
  88           END IF
  89
  90            IF (RHO .EQ. 0.E0) EEDIF = 0.E0
  91
  92            EERR  = (EESUM+EEDIF)/2.
  93            EE00  = (EESUM-EEDIF)/2.
  94
  95
  96 !!!!!!!!!!!!!!!!!! Wetting Layer !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
  97
  98           IF(I_N1.EQ.0.AND.I_N2.EQ.0.AND.I_N3.EQ.0) THEN
  99            IF (ZETA.LT.0.E0 .AND. ZETA.GE.-D) THEN
 100
 101                EESUM = EESUM + BISUM
 102                EERR  = EERR  + BISUM/2.E0
 103                EE00  = EE00  + BISUM/2.E0
 104                IF (AISO.EQ.1) THEN
 105                   E2ZZ = E2ZZ + BIZZ
 106                ELSE
 107                   E2ZZ = E2ZZ  + (-2.E0*C13/C33*EPSA) !BIZZ
 108                END IF
 109
 110            END IF
 111           END IF
 112
 113 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
 114
 115            EEXX = EEXX + (CTHETA**2*EERR + STHETA**2*EE00)
 116            EEYY = EEYY + (STHETA**2*EERR + CTHETA**2*EE00)
 117            EEZZ = EEZZ + E2ZZ
 118            EEXY = EEXY + (CTHETA*STHETA*(EERR-EE00))
 119            EEXZ = EEXZ + (CTHETA*EERZ)
 120            EEYZ = EEYZ + (STHETA*EERZ)
 121
 122       END DO N1
 123       END DO N2
 124       END DO N3
 125
 126            EXX(I_X,I_Y,I_Z)= EEXX
 127            EYY(I_X,I_Y,I_Z)= EEYY
 128            EZZ(I_X,I_Y,I_Z)= EEZZ
 129            EXY(I_X,I_Y,I_Z)= EEXY
 130            EXZ(I_X,I_Y,I_Z)= EEXZ
 131            EYZ(I_X,I_Y,I_Z)= EEYZ
 132
 133 !           WRITE(26,'(10(E15.8,1X))')Z,EEXX,EEYY,EEZZ,EEXY,EEXZ,EEYZ
 134
 135       END DO XD
 136       END DO YD
 137       END DO ZD
 138
 139 !     STOP
 140
 141       RETURN
 142       END SUBROUTINE STRAIN0
 143
 144       DOUBLE PRECISION FUNCTION I_FA00(X)
 145        Use STRAIN_CALC
 146        Use Dot_Geometry
 147        Use Input_Data, ONLY: RC,ZC
 148        IMPLICIT NONE
 149
 150        DOUBLE PRECISION :: X
 151        !!! COMMON
 152        REAL :: RHO,ZETA,ETA,ZM
 153        COMMON /QAGON/RHO,ZETA,ETA
 154
 155        CALL SHAPERTOZ(MIN(SNGL(X)*RC,Rqd_Base),ZM)
 156        I_FA00=X*FA00(DBLE(RHO),DBLE(ZETA),X,DBLE(ZM/ZC),DBLE(ETA))
 157
 158        RETURN
 159
 160       END FUNCTION I_FA00
 161
 162       DOUBLE PRECISION FUNCTION I_FA10(X)
 163        Use STRAIN_CALC
 164        Use Dot_Geometry
 165        Use Input_Data, ONLY: RC,ZC
 166        IMPLICIT NONE
 167
 168        DOUBLE PRECISION :: X
 169        !!! COMMON
 170        REAL :: RHO,ZETA,ETA,ZM
 171        COMMON /QAGON/RHO,ZETA,ETA
 172
 173        CALL SHAPERTOZ(MIN(SNGL(X)*RC,Rqd_Base),ZM)
 174        I_FA10=X*FA10(DBLE(RHO),DBLE(ZETA),X,DBLE(ZM/ZC),DBLE(ETA))
 175
 176        RETURN
 177
 178       END FUNCTION I_FA10
 179
 180       DOUBLE PRECISION FUNCTION I_FA20(X)
 181        Use STRAIN_CALC
 182        Use Dot_Geometry
 183        Use Input_Data, ONLY: RC,ZC
 184        IMPLICIT NONE
 185
 186        DOUBLE PRECISION :: X
 187        !!! COMMON
 188        REAL :: RHO,ZETA,ETA,ZM
 189        COMMON /QAGON/RHO,ZETA,ETA
 190
 191        CALL SHAPERTOZ(MIN(SNGL(X)*RC,Rqd_Base),ZM)
 192        I_FA20=X*FA20(DBLE(RHO),DBLE(ZETA),X,DBLE(ZM/ZC),DBLE(ETA))
 193
 194        RETURN
 195
 196       END FUNCTION I_FA20
 197
 198