[Pw_forum] Left and right going Bloch's states from PWCOND
Manoj Srivastava
manoj at phys.ufl.edu
Wed Oct 21 20:13:31 CEST 2009
Dear All,
I am trying to figure out the left and right going Bloch's states in the
lead from PWCOND. For a given (kx,ky)and energy we get kz. The code only
prints out Bloch's state moving in one direction. eg. in one of the
calculation-
k//=(0.375,-0.375)
Nchannels of the left tip = 1
k1(2pi/a) k2(2pi/a) E-Ef (eV)
0.3157801 0.0000000 0.0000000
Now if I want Bloch's state moving in right as well as left direction, I
can go to kbloch.f90 subroutine, and print out all the eigen values of
AX=exp(ikd)BX, and out of those the ones with real solution would be our
Bloch's state, so I get for each channel two solutions-
kval (-0.275409421993275,1.823688001395235E-010)
kval (0.315780119742506,-3.611201785292708E-012)
To figure out the direction, I can calculate current associated with these
Bloch's sate and if the current is +ive it is right moving , and if '-'ive
its left moving Bloch's state. I can print out current from jbloch.f90
subroutine which are -
current eigenvalue -1.86502143831863 1.59149029314457
So, clearly the first state with kval=-0.2754094 is left moving and the
other one right moving. Upto here its clear to me how to identify left and
right moving states.
I get confused when for a given (kx,ky,E), I have more than one Bloch'
state. In another calculation where i get multiple Bloch's state-
Nchannels of the left tip = 5
k1(2pi/a) k2(2pi/a) E-Ef (eV)
-0.0746301 0.0000000 0.0000000
0.1205527 0.0000000 0.0000000
0.3112908 0.0000000 0.0000000
0.4200218 0.0000000 0.0000000
-0.4935150 0.0000000 0.0000000
so i did the same trick i did above to first print out kz and then
current, which gives me -
kval (-0.420023481074359,1.979595081419732E-010) (call it a)
kval (0.420023367986768,2.500979698670295E-011) (b)
kval (-0.306507431678779,-1.236804629184431E-011) (c)
kval (-0.125376071175573,-6.134512510438736E-011) (d)
kval (-7.945001124706894E-002,6.683546930037856E-011)(e)
kval (0.106554601758169,-6.427946951285107E-011) (f)
kval (8.866867725358024E-002,8.342250371574646E-011) (g)
kval (0.325333314672671,1.260810749228185E-011) (h)
kval (-0.488725859521576,1.769197678346003E-010) (i)
kval (0.479509832763231,1.765499400037283E-010) (j)
current eigenvalue -9.31389492882581 -1.24296522993488
-1.21324078359658 -1.11950286753963 -1.08166842367443
1.08187482164864 1.11973146584263 1.21295295042188
1.24280031534940 9.313897787790
So, the first 5 are left moving and rest are right moving. But I dont know
the pairs. for example for left moving state a, what is the corresponding
right moving state whether its f or g ... j ?
Any help would be appreciated.
Regards,
Manoj Srivastava
University of Florida, Gainesville.
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