4.3 Calculation of the Spin Relaxation Rates

The spin relaxation times for all the individual components are evaluated by thermal averaging [715369] as

         ∑  ∫
  1        i  τi1(k1) ⋅ f(E )(1 - f (E))dk1
------=  --------∑---∫------------------,
τm[τs]              i  f(E )dk1
(4.12)

where

∫        ∫ 2π     ∫ ∞     |k |
   dk1 =      dφ ⋅     |----1-|--dE.
          0        E(i0)||∂E∂(kk1)||
                           1  k1
(4.13)

k1 (E,φ)=(k1(E,φ) cos(φ),k1(E,φ) sin(φ)) is the in-plane subband wave vector of the electron before scattering. The angle φ defines the k1 direction, thus the term |
||∂E(k1)
 ∂k1|
||k1 is the derivative of the subband dispersion along k1 at the angle φ. The Fermi distribution function is

f (E ) = [-------1-------].
         1 + exp (E-EF-)
                  KBT
(4.14)

Here, KB is the Boltzmann constant, T is the temperature, EF is the Fermi level, and E can be expressed as

      (0)
E =  Ei  + Ei (k1 ),
(4.15a)

  (0)
E i  = Ei(k1 = 0 ),
(4.15b)

where Ei(0) is the energy of the bottom of the subband i. When the values of the electron concentration and temperature are provided, EF is evaluated numerically by following [69]. Nevertheless, when both the surface roughness and the phonon mediated components are calculated, the total spin lifetime is calculated by the Matthiessen rule [117].

4.3.1 Surface Roughness Limited Spin Relaxation Rates

The spin-flip rate can be written as [55]

    1          4π   ∑   ∫  2π                   1        ℏ4     |k  |
----------=  -------         dφ ⋅ π△2L2 ⋅ -2----------⋅---2 ⋅|---2--|
τi,s,SR(k1 )   ℏ(2π)2 j=1,2  0               ϵij|k2 - k1|  4m l  ||∂E∂(kk2)||
                                            (                )   2
           [( dΨik1σ) *(dΨjk2 -σ)]2           - |k2 - k1|2L2
          ⋅   -------   --------      t⋅ exp  --------------
                dz         dz     z=± 2              4
          ⋅ θ(E (k ) - E(0)).
               j  2     j
(4.16)

Here, k1 (k2) is the in-plane wave vector of the electron before (after) scattering, φ is the angle between k1 and k2 vectors, ϵi,j is the dielectric permittivity, L is the autocorrelation length, and is the mean square value of the SR-fluctuations [129]. σ = ±1 is the spin projection to the [001] axis. θ(x) is the Heaviside function.

4.3.2 Phonons


PIC

Figure 4.9: The four phonon modes are found in elemental semiconductors: (a) longitudinal acoustic, (b) transversal acoustic, (c) longitudinal optical, and (d) transversal optical modes.


Phonons are the lattice vibrations, but those can be imagined as particles which carry vibrational energy in a similar manner to photons, i.e. they are discrete and quantized [117]. The energy of a phonon is characterized by its own intrinsic frequency. In a lattice with a basis of more than one atom in the primitive cell (which may or may not be different), the allowed frequencies of a propagating wave can be split into an upper branch known as the optical branch, and a lower branch called the acoustical branch. Acoustic phonons are coherent movements of atoms of the lattice out of their equilibrium positions. In contrast for optic phonons, the center of mass of the cell during oscillations does not move [117128155] (i.e. one atom moving to the left, and its neighbour to the right). The nature of the vibrations are sketched in Figure 4.9. The acoustic branch has its name because it gives rise to long wavelength vibrations, and the speed of its propagation is the speed of a sound wave in the lattice. The optical branch is a higher energy vibration, and one can excite these modes with the electromagnetic radiation [117]. For both of acoustic and optical modes, the vibration is restricted to the direction of propagation in the longitudinal mode, whereas in the transversal mode the vibration occurs in the perpendicular planes.

In the three-dimensional lattice system the number of optical modes for the primitive cell that contains p atoms is given by the expression 3(p-1), while the number of acoustic modes is always three. Each of the modes has three components: two transversal (TA1, TA2, TO1, TO2) and one longitudinal (LA, LO).

In the analysis of intrasubband electron-phonon scattering, the explicit forms of the polarization vectors of phonons are needed. Following [15653] the phonons polarization vectors can be written as

        ⌊ q ⌋
       1⌈  x⌉
ϱLA =  q  qy  ,
          qz
(4.17)

                  ⌊    ⌋
        ----1-----  qy
ϱT A1 = ∘q2--+-q2 ⌈- qx⌉ ,
           x    y    0
(4.18)

                  ⌊           ⌋
            1          qxqz
ϱTA2 = -∘---2----2⌈    qyqz   ⌉ ,
       q   qx + qy  - (q2x + q2y)
(4.19)

where q = ∘ -2----2----2
  qx + qy + qz is related to the momentum transfer in the scattering [53].

The formulation for the transition rate from one energy eigenstate of a quantum system into the other energy eigenstates in a continuum is given by Fermi’s golden rule [157]. The electron-phonon mediated momentum and the spin relaxation rates, where m is the relaxation mechanism signifying contributions from the acoustic and the optical phonon for transitions from band i to band j are calculated by using Fermi’s second Golden Rule as described in [53157]

                ∫
--1---=  2(4)π--  d2kj|Mm,i,j(ki,kj)|2δ(Ej - Ei + △Em   ),
τi(ki)    ℏ(2π)2
(4.20)

where M represents the momentum scattering (spin relaxation) matrix element, and the material volume is chosen as the unit volume. The value 4 (2) for spin (momentum) relaxation accounts for the fact that the net number of spin polarized electrons changes by two with each spin flip [53].

4.3.3 Intravalley and g-Intervalley Relaxation Processes Rates

The spin relaxation rate for the wave vector k1 in subband i can be written as [69]

   1        4πK   T ∑  ∫  2πdφ ∫  ∞  dq     |k  |
---------=  ----B---        ---     ---z--|---2-|-
τi,AC(k1)     ℏρ ν2   j   0  2π   -∞ (2π )2||∂E∂(kk2)||
                |     |                       2
          [     ||∂E(k2)||f(E (k2))]
         ⋅ 1 -  |-∂k2-|----------
                ||∂E(k1)||f(E (k ))
                  ∂k1        1 ∫
          ∑   ||qα1               t    †                          ||2
         ⋅    |---ϱα2(q )Dα1α2    dzΨ jk2-σ(z)exp (- iqzz)Ψik1σ(z)|
          α1α2  q               0
                       (0)
         ⋅ θ(Ej (k2 ) - Ej ).
(4.21)

Here, the momentum transfer vector q can be realized by q = (k2 -k1,qz), Dα1α2 is the deformation potential, (α12)=(x,y), ϱα2(q)=(ϱLA(q)TA1(q)TA2(q)) is the polarization vector.

By applying Fubini’s theorem the modulus in the above equation can be replaced by a repeated integral,

   1        4πK   T ∑   ∫ 2πdφ  ∫ ∞  dq     |k  |
---------=  ----B---        ---     ----z-|---2--|
τi,AC(k1 )    ℏ ρν2   j   0  2 π  -∞ (2π )2||∂E∂(kk2)||
                |     |                       2
          [     ||∂E(k2)||f(E (k2))]
         ⋅  1 - |-∂k2-|----------
                ||∂E(k1)||f(E (k ))
          ∫     ∫ ∂k1        1
             t     t  ′[  †         AC         ]*
         ⋅    dz    dz  ψjk2-σ(z)M    ψik1σ(z)
          [ 0     0                ]
         ⋅ ψ †    (z′)M  ACψik1σ(z′) LAC exp(- iqz|z - z ′|)
             jk2- σ
         ⋅ θ(Ej (k2) - E(j0)).
(4.22)

MAC is the deformation potential matrix, the exact form of the matrix depends on the phonon mode and is shown later. The LAC term depends on the spin-flip process and the phonon mode [53]. By replacing the order of the integration in Equation 4.22 the acoustic phonon mediated relaxation rate can be written as

    1       4 πK  T ∑   ∫ 2π dφ   1    |k |
--------- = -----B--         ---------|--2--|-
τi,AC (k1)     ℏρν2    j  0   2π (2π)2 ||∂E∂(kk2)||
                |      |                  2
           [    ||∂E(k2)||f(E (k2 ))]
          ⋅ 1 - |--∂k2--|---------
                ||∂E(k1)||f(E (k  ))
           ∫     ∫ ∂k1         1
             t     t  ′[  †         AC        ]*
          ⋅   dz    dz  ψ jk2-σ (z )M    ψik1σ(z)
           [0     0                ] ∫ ∞
          ⋅ ψ†    (z′)M AC ψ    (z′)      dq L    exp(- iq|z - z′|)dz′
             jk2-σ          ik1σ      -∞   z  AC        z
                        (0)
          ⋅ θ(Ej(k2 ) - E j ).
(4.23)

Intervalley g-Process Spin Relaxation

The g-process describes the electron intervalley scattering between opposite valleys, which includes only the [001] valley pair in the Brillouin zone. The f-process involves scattering between valleys that reside on perpendicular axes, which will be treated later. For intervalley scattering [53], LAC=1. By introducing the Dirac delta function, 2πδ(z - z) = -∞ exp(-iq z|z - z|)dq z. Again,

∫     [  †                    ]            [ †                    ]
   dz′ ψjk2-σ(z′)M AC ψik1σ(z′) δ(z - z′) =  ψjk2-σ(z)M AC ψik1σ(z) .
(4.24)

This simplifies Equation 4.23 to

    1       4πK   T ∑   ∫ 2πd φ    1     |k  |
---------=  ----B2---        --- ⋅----2-|---2-|-
τi,LA(k1 )    ℏρνLA   j   0  2 π  (2π)  ||∂E∂(kk2)||
                |     |                    2
          [     ||∂E(k2)||f (E (k2))]
         ⋅  1 - |-∂k2-|----------
                ||∂E(k1)||f (E (k1))
             ∫    ∂k1
                t  [ †          AC        ]*[  †         AC        ]
         ⋅ 2π    dz ψjk2-σ(z)M    ψik1σ(z)   ψ jk2-σ (z )M    ψik1σ(z)
              0
         ⋅ θ(Ej (k2) - Ej(0)).
(4.25)

Here, νLA=8700m-
 s, MAC contains the Elliott and Yafet contributions [53], and can be written as (M)

      [             ]
  ′     MZZ   MSO
M  =    M †SO  MZZ     ,
(4.26)

        [       ]
          Ξ  0
MZZ  =    0  Ξ   ,
(4.27)

        [                                 ]
                 0         DSO (ry - irx)
MSO  =    DSO (- ry - irx)        0         ,
(4.28)

where (ry,rx)=k1 + k2, DSO=15meV/k0, Ξ=12eV as the acoustic deformation potential, and other parameters as in Table 3.2. Thus, the expression for M can be reformulated as

      ⌊       Ξ                0                0         D   (r  - ir ) ⌋
      |                                                     SO  y     x  |
M ′ = |        0               Ξ         DSO (- ry - irx)        0        |
      ⌈        0        DSO (- ry + irx)        Ξ               0        ⌉
        DSO  (ry + irx)         0                0               Ξ
(4.29)

Intravalley Transversal Acoustic Phonons Spin Relaxation

Intrasubband transitions are important for the contributions determined by the shear deformation potential. The term LAC due to transversal acoustic phonons is [53]

       (q2-  q2)2     4q2q2q2
LAC =  --x----y--+  ----x-y-z---.
        q2x + q2y     (q2x + q2y)|q|2
(4.30)

Applying the theory of residues with Q2 = q x2 + q y2, one can perform the following integral,

∫                             ∫
  ∞     q2z exp(--iqz|z---z′|)    ∞     q2z exp-(- iqz|z --z′|)
    dqz     (Q2 + q2)2     =      dqz (iQ -  q )2(iQ +  q )2
 -∞                z           -∞  [(     2  z         z  ′ )      ]
                           =  - 2 πi -d--qz exp-(- iqz|z --z|)
                                     dqz     (iQ -  qz)2      qz=-iQ
                                           ′
                           =  π-1 --Q|z---z-|exp(- Q |z - z′|).
                              2      Q
(4.31)

The matrix MAC for the intrasubband transversal acoustic phonons (M) can be expressed like

     ⌊  0   0  D-  0  ⌋
     |          2  D- |
M  = |  0D   0   0  2  | ,
     ⌈  2-  0   0  0  ⌉
        0   D2-  0  0
(4.32)

where D is the shear deformation potential as mentioned in Table 3.2. Indeed the intrasubband transitions are important for the contributions determined by D.

Following Equation 4.23 the intrasubband transversal acoustic phonons is

                    ∑  ∫  2π
---1-----=  4πKBT---        dφ- ⋅--1---||k2|-|-
τi,TA(k1)     ℏρν2TA   j   0  2π   (2π)2 ||∂E(k2)||
                |     |                  ∂k2
          [     ||∂E(k2)||f(E (k ))]
         ⋅  1 - |-∂k2-|------2---
                |∂E(k1)|
                | ∂k1 |f(E (k1))
          ∫  t  ∫  t         ∘ -------          π
         ⋅    dz    dz′exp(-   q2x + q2y|z - z ′|) ⋅-
          [0      0            ] [              2      ]
         ⋅ Ψ †    (z)M Ψ     (z )* Ψ †    (z)M Ψ     (z)
          [  jk2-σ       ik1σ        jk2-]σ       ik1σ
            4q2q2(1 - |z - z′|∘q2-+--q2)
         ⋅  --x-y---∘-----------x----y-  ⋅ θ(Ej(k2) - E (0j)).
                   (  q2x + q2y)3
(4.33)

Here, νTA=5300m-
 s is the transversal phonon velocity, and ρ=2329Kg-
m3 is the silicon density [158].

Intravalley Longitudinal Acoustic Phonon Spin Relaxation

The term LAC due to the longitudinal acoustic phonons is [53]

          2 2
        4qxqy-
LAC  =   |q|2 .
(4.34)

Applying the theory of residues with Q2 = q x2 + q y2, one can perform the following integral,

∫ ∞     exp(- iqz|z - z′|)   ∫ ∞      exp (- iqz|z - z′|)
     dqz------2----22----=      dqz ---------2--------2-
 - ∞       (Q  + qz)         -∞     (iQ -  qz)(iQ +  qz)
                                 [(-d--exp(--iqz|z---z′|)-)      ]
                         =  - 2 πi dq     (iQ - q )2     q= -iQ
                                     ′z          z        z
                         =  π-Q|z---z-| +-1-exp(- Q |z - z′|).
                            2      Q3
(4.35)

The matrix MAC for the intrasubband longitudinal acoustic phonons is the same as in Equation 4.32. Then, the intravalley spin relaxation rate due to longitudinal acoustic phonons can be expressed as

                        ∫
----1----   4-πKBT--∑     2π dφ-  --1--- --|k2-|--
τi,LA (k1) =  ℏρ ν2           2π ⋅ (2π)2 ⋅ ||∂E(k2)||
                 LA   j  0               | ∂k2 |
           [    ||∂E (k2)||         ]
                |--∂k2-|f(E (k2))
          ⋅ 1 - ||∂E-(k-)||---------
                |--∂k11-|f(E (k1))
           ∫ t   ∫ t          ∘ -------
          ⋅   dz    dz ′exp (-   q2+  q2|z - z′|) π-
            0     0              x    y        2
           [  †                 ]*[  †                 ]
          ⋅ Ψ jk2- σ(z )M  Ψik1σ(z)   Ψ jk2- σ(z)M Ψik1σ(z)
                2 2  [∘ -------           ]
          ⋅--4qxqy---   q2 + q2|z - z′| + 1 θ(E (k  ) - E (0)).
           (q2x + q2y)32    x    y                j  2     j
(4.36)

When both the surface roughness and the acoustic phonon mediated components are calculated, the total spin lifetime is calculated by the Matthiessen rule.