The k direction in a k.p model ?

Join the discussion
Registration is free. Start your own thread to ask a follow-up.
4 replies · 3K views · last reply
lichen1983312
Messages
85
Reaction score
2
I am trying to do some calculation based on a k.p model of GaN proposed by S. Chuang [Phys. Rev. B, 54, 2491]. It is a 8 by 8 Kane model with basis functions:
Equations listing eight basis states u1 to u6 and |iS up>, |iS down>, |Z up>, |Z down>, each written as a linear combination of X and Y with spin-up or spin-down arrows and a factor of 1 over root 2.

The 8 by 8 Hamiltonian contain first order of k is
8 by 8 Hamiltonian matrix H(8x8) = (hbar^2 k^2)/(2 m_0) plus a block of entries with E_c, E_v, Delta_1, Delta_2, Delta_3, P_1, P_2, k_+ and k_- over square root of 2, and k_z P_1.

where ##{k_ \pm } = {k_x} \pm i{k_y}##

the reciprocal space and high symmetry points is pictures as [Phys. rev. B, 53, 10173]
Brillouin zone of a hexagonal crystal with axes kx, ky and kz, labelled high-symmetry points Gamma, M, K, A, H, L, P, S, S', T, T', R and the lines Sigma, Delta.


My question is: How is the direction of kx and ky defined in the 8 by 8 Hamiltonian?
Put is in another way. If I want to draw a E-k curve along ##\Gamma \to M##, how do I express this direction in terms of kx and ky ?
Thanks very much, please help.
 
Attachments
  • Equations listing eight basis states u1 to u6 and |iS up>, |iS down>, |Z up>, |Z down>, each written as a linear combination of X and Y with spin-up or spin-down arrows and a factor of 1 over root 2.
    basis function.png
    5.2 KB · Views: 1,141
  • Brillouin zone of a hexagonal crystal with axes kx, ky and kz, labelled high-symmetry points Gamma, M, K, A, H, L, P, S, S', T, T', R and the lines Sigma, Delta.
    k-space.png
    14.1 KB · Views: 802
  • 8 by 8 Hamiltonian matrix H(8x8) = (hbar^2 k^2)/(2 m_0) plus a block of entries with E_c, E_v, Delta_1, Delta_2, Delta_3, P_1, P_2, k_+ and k_- over square root of 2, and k_z P_1.
    Hamiltonian 8by8.png
    12.7 KB · Views: 1,250
Physics news on Phys.org
##k=(0,\lambda,0)^T## with ##\lambda=0## corresponding to ##\Gamma## and ##\lambda=k_\mathrm{M}## corresponding to M?
 
DrDu said:
##k=(0,\lambda,0)^T## with ##\lambda=0## corresponding to ##\Gamma## and ##\lambda=k_\mathrm{M}## corresponding to M?
Thanks
That is what is said in the graph, which is taken from a different article.

But if I only look at the Hamitonian and the basis functions, how can I tell?
 
##\Gamma##, M , ##\Sigma##, means that the hamiltonian is invariant under a specific group of rotations and reflections, respectively, which also leave k invariant. These groups are called the "little groups of the wavevector". This are sub groups of the point group under which ##\Gamma## is invariant. Look up which elements they contain in case of the Point Group of GaN and make sure that for the coice of k, your Hamiltonian is invariant under the corresponding transformations.
 
DrDu said:
##\Gamma##, M , ##\Sigma##, means that the hamiltonian is invariant under a specific group of rotations and reflections, respectively, which also leave k invariant. These groups are called the "little groups of the wavevector". This are sub groups of the point group under which ##\Gamma## is invariant. Look up which elements they contain in case of the Point Group of GaN and make sure that for the coice of k, your Hamiltonian is invariant under the corresponding transformations.
Thanks very much, I will look into it.