displ_slat.f90

   1 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
   2 !      This subroutine calculates the strain distribution              !
   3 !              inside and around the quantum dot                       !
   4 !                                                                      !
   5 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
   6
   7     SUBROUTINE DISPLACEMENT(UR,UX,UY,UZ)
   8
   9               Use Input_Data
  10               Use Dot_Geometry
  11               Use Auxiliar_Procedures, ONLY : AISO
  12               Use DISPL_CALC
  13               Use STRAIN_CALC
  14               Use PZO_CALC
  15
  16       IMPLICIT NONE
  17
  18 !!!!! 'dummy' and local variables !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
  19
  20       REAL         ZM,THETA,CTHETA,STHETA,AUXCHI,CHI,UUR,UUR2, &
  21                    UUX,UUY,UUZ,UUZ2,X,Y,Z,ZMAUX,EESUM,EEDIF,EE00,&
  22                    R_Profile
  23       REAL,DIMENSION(:,:,:) ::  UX,UY,UZ,UR
  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       UX=0.E0;UY=0.E0;UZ=0.E0;UR=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        UUX=0.E0;UUY=0.E0;UUZ=0.E0;UUZ2=0.E0;UUR=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 (AISO.EQ.1) THEN
  87              CALL DSPLISO(EESUM,EEDIF,UUZ2,CHI)
  88           ELSE
  89              CALL DSPLANISO(EESUM,EEDIF,UUZ2,CHI)
  90           END IF
  91
  92            IF (RHO .EQ. 0.E0) EEDIF = 0.E0
  93
  94            EE00  = (EESUM-EEDIF)/2.E0
  95            UUR2=RHO*EE00
  96
  97
  98 !!!!!!!!!!!!!!!!!! Wetting Layer !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
  99
 100           IF(I_N1.EQ.0.AND.I_N2.EQ.0.AND.I_N3.EQ.0) THEN
 101
 102 !          IF (ZETA.LT.0.E0 .AND. ZETA.GE.-D) THEN
 103
 104                IF (AISO.EQ.1) THEN
 105                   UUZ2 = UUZ2-BIAUX/2.E0* &
 106                          (ZC/RC)*((ZETA-(-D))*SIGN(1.E0,ZETA-(-D))-ZETA*SIGN(1.E0,ZETA))
 107                ELSE
 108                   UUZ2 = UUZ2-(2.E0*C13/C33*EPSA+EPSC)/2.E0* &
 109                          (ZC/RC)*((ZETA-(-D))*SIGN(1.E0,ZETA-(-D))-ZETA*SIGN(1.E0,ZETA))
 110                END IF
 111
 112 !          END IF
 113           END IF
 114
 115 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
 116
 117            UUX = UUX + CTHETA*RC*UUR2
 118            UUY = UUY + STHETA*RC*UUR2
 119            UUR = UUR + RC*UUR2
 120            UUZ = UUZ + RC*UUZ2
 121
 122       END DO N1
 123       END DO N2
 124       END DO N3
 125
 126            UX(I_X,I_Y,I_Z)= UUX
 127            UY(I_X,I_Y,I_Z)= UUY
 128            UR(I_X,I_Y,I_Z)= UUR
 129            UZ(I_X,I_Y,I_Z)= UUZ
 130
 131 !           WRITE(26,'(10(E15.8,1X))')Z,EEXX,EEYY,EEZZ,EEXY,EEXZ,EEYZ
 132
 133       END DO XD
 134       END DO YD
 135       END DO ZD
 136
 137 !     STOP
 138
 139       RETURN
 140       END SUBROUTINE DISPLACEMENT
 141
 142
 143