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6.1 Predicting the optical properties  133




                  where  ψ  and ξ′ are the Bessel function. M is the ratio between dielectric function                                   ξ ′ n
                                                                                                                                         ψn
                         n
                               n
                                                                               2 πnR
                  of the nanoparticles and surrounded medium and X is the size perimeter:  =x  m  .                                      x=2πnmRy
                  Based on Drude-Lorentz model [2]:                              y
                                               ω 2       ωΓ
                                                          2
                                       ε = ε −   p  + i   p    ,                 (6.11)
                                               2
                                                                                                                                                                    2
                                                                                                                                                      2
                                                              2
                                                                                                                                                                 2
                                                                                                                                                        2
                                           B  ω + Γ 2  ωω +(  2  Γ )                                                                        ε=εB−wp2w +Γ +iwp2Γw(w +Γ ),
                  where ε and ε  are the dielectric of the nanoparticles and bulk material, respectively.                                ε εB
                             B
                                                                                                                                         Γ=Γ +νFR
                  Γ =  Γ +  νF  is the damping term (R is the radius of the particle and  νF  is the Fermi                               ν F  0
                      0
                         R        4 πne 2
                  velocity) and ω =  e   is the plasma frequency of the free electron gas (m  is                                         me       2
                                                                                                                                         wp=4πnee εOme
                                                                                  e
                              p
                                   ε m e
                                    O
                  the mass of the electron, n  is free electron density, e is electron charge and ε  is the                              ne εO
                                                                               O
                                       e
                  vacuum permittivity).
                     To calculate the amount of scattering, first, need to calculate absorption, extinc-
                  tion and scattering efficiencies. Based on Mie scattering coefficients:
                                               ∞
                                                    +
                                                 2
                                        Q  =  2  ∑( n 1 )R a(  + b ),            (6.12)
                                                                                                                                                 2
                                         ext  x  2  n  =1  e  n  n                                                                         Qext=2x ∑n=1∞2n+1Re(an+bn),
                                              2  ∞
                                                            2
                                        Q sca  =  ∑( n2  +1 ) a (  2 n  + b ),   (6.13)
                                                            n
                                             x 2  n =1                                                                                     Qsca=2x ∑n=1∞2n+1(an2+bn2),
                                                                                                                                                  2
                                             Q abs  = Q ext  −Q sca              (6.14)                                                      Qabs=Qext−Qsca
                     ABSCAT and MATLAB program can assist to solve Eqs. (6.12)–(6.14) [2, 3].
                  6.1.2  Discrete dipole approximation
                  Discrete dipole approximation model was first introduced by Purcell and Pennypacker in
                  1973. This model provides the approximation for absorption, extinction, and scattering
                  cross-section. In this method, each particle defines as a mass composed of finite number
                  of elements with dipole interactions. Maxwell’s equations are converted to a simple
                  algebraic equation using Draine and Flatau methods [4]. For each dipole, the dipole
                  moment of the external electric field and internal electric field causing by the neighbor-
                  ing dipoles are calculated. The electric field of one dipole is calculated as follow:
                                      iwd
                                     −  c   ω 2                       
                                                              ( ⋅rp r ˆ
                                                 r ˆ
                              E dipole  =  e    r ˆ  × p ×+   1  −  i ω   3 ˆ  ) −  p ,  (6.15)
                                                                      
                                                    
                                                             
                                          2
                                                                                                                                                            2 2
                                                                                                                                                                             2
                                    4 πε 0   cd     d  3  cd  2                                                                        Edipole=e−iwdc4πε w c drˆ×p×rˆ+1d −iwcd 3rˆ⋅prˆ−p,
                                                                                                                                                                        3
                                                                                                                                                          0
                  where d and   are distance to the sampling point and unit vector of   which h is taken                                 rˆ rˆ
                                                                       r ˆ
                            r ˆ
                  from dipole to the location at which electric field is collected, respectively. P is the
                  vector related to the induce dipole moment,
                                               P i  =  α E local ,               (6.16)                                                    Pi=αiElocal,
                                                   i
                  where α  is the polarizability of the materials and E local  is the electric field corre-                              αi
                         i
                  sponding to the incident wave, E inci ,  , and the effect of the electric field of the other                           Einc,i
                  dipoles [4]:
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