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In this document, ‘Q1D Simple Dirac Fermion TI’ (which I shall write as Q1D SDF TI for short) refers to systems where the x dimension is assumed to be of inﬁnite / semi-inﬁnite length, and the y dimension is of mesoscopic length scale so the quantum conﬁnement eﬀect giving rise to discrete y modes is present with the Hamiltonian H = v f σ · p + M · σ + U Iσ (1) where M is an externally imposed magnetic ﬁeld, and U a spin-independent externally imposed magnetic ﬁeld.

Eigenstates

We ﬁrst derive the energy eigenstates of the Q1D system. Let the width of the system be L, so that the spatial position of the TI is from y = 0 to y = L. In order to fulﬁll the boundary conditions in the y direction, L we write the eigenmode ψl (x, y) satisfying 0 dy ψ l∗ (x, y)Hψ l (x, y) = E l as a superposition of the transverse modes φn = ψl (x, y) = eikm x

n 2 L

sin(nπ/Ly) : (2)

φn (y)χl n

The χl s are (2 by 1) spinor which is to be determined. Note that in writing n ψl in the above form we have absorbed the weightings of the various transverse modes into their respective χl so that χl are not normalized to unity. n n From Hψl (x, y) = El ψl (x, y) , we have dy e−ikl x φm (y)Hψl (x, y) = El dy e−ikm x φm (y)ψl (x, y). (3)

**Expanding out the σ matricres of H of Eq. 1 in full, the left hand side of the previous equation reads dy
**

n

φ m vf

0 (kx + ∂y )

(kx − ∂y ) 0

+

Mz + U M−

M+ −Mz + U

φn χ l n

where M± = Mx ± My . Noting that dy φm (y)φn (y) = δmn and introducing κmn = dy φm (y)(∂n φn (y)), Eq. 3 reduces to (Mz + U − El )δmn δmn (vf kx + M− ) + κmn δmn (vf kx + M+ ) − κmn (−Mz + U − El )δmn χl = 0 n

n

1

This is not.0. Somewhat unexpectedly. We write the wavefunction on the left of the interface Nm ψI = n aI (eikn x n m I φI χI ) m n. The application of an external magnetic ﬁeld M results in further splitting of the energy states. there will be 2Nm eigenvalues and eigenmodes. and seek those values of kl s which give rise to energy eigenstates with energy El . 2 should go to inﬁnity. kl and χ can then be solved for numerically.j 2 .which we can split into vf k l n 0 δmn δmn 0 χl = n n (El − Mz − U )δmn −κmn − δmn M− κmn − δmn M+ (El + Mz − U )δmn χl . not possible in practice and we cut oﬀ the summation at a number Nm of transverse modes.m where the an are the weights (to be determined) of the nth eigenstate given by I I ψn = eikn x m φI χI . Similarly. Since the matrices involved are 2Nm × 2Nm in size.1 Dispersion relationship Conﬁnement along the y direction opens up an energy gap due to the quantization of the energy modes. n (4) In theory. or imaginary with negative imaginary parts. we write the wavefunction on the right of m n. Wavefunction matching across interfaces of different widths We consider an interface between 2 TIs of diﬀerent widths. In the absence of an externally applied magnetic ﬁeld. 4 can then be written as a generalized eigenvalue equation vf kl Aχ = B(El )χ where A and B are 2Nm × 2Nm matrices. χ a 2Nm × 1 column vector. The remaining Nm kl s are real and negative. or imaginary with positive imaginary parts corresponding to right propagating / decaying states. however. Nm of these kl are real and positive. 0. the transverse mode (n) summation of Eq. Notice that in our approach we supply El as the input. Eq. the shape of the dispersion relation is independent of the direction of the external magnetic ﬁeld. m i.m the interface as Nm ψ II = i aII (eikn i II x j φII χII ).

j yII yI aII e i i yII yI II iki x0 Noting that dyφII (y)φII (y) and writing a j the above reduces to aI (eikn x0 n n m I dy φII (y)φI (y) = Cam . For an arbitrary ath transverse mode φII . There are Nm diﬀerent φII s. n II We need the wavefunctions at both sections to match at the interface at x = x0 . attempting to match the wavefunctions across segments of diﬀerent widths gives rise to ill-behaved results. but in practice I found that this does not quite work – matching the Fourier weights of the wavefunctions on both sides of the interface with a ﬁnite number of modes does not gurantee that the wavefunctions themselves match. giving rise to a total of 2Nm a equations which solves for the correct number of unknowns – taking the Nm right-propagating/decaying states on the left of the interface. .m ( dyφII φII )χII ).e. we take the section on the left to be located between 0 to LI in the y direction. Footnote : Notice that in the above we are integrating the wavefunctions on both sides of the interface with a transverse mode of the shorter side across the width of the shorter side. Unfortunately. m a II Cam χI ) = n.For ease of discussion. but here I calculate the quantity rk = i∈drain right propagating modes |bi |2 ki |a2 |kj j j∈source right propagating modes 3 . that ψI (x0 . y) a ⇒ n aI eikn x0 ( n n I ( ( j dy φII φI )χI ) = a m n. y). y) = a yI yI dy φII (y)ψII (x0 . Magnetoresistance in a 3 segment Q1D system Actually I’m not very sure exactly how to deﬁne the transmission for this sort of many-mode system. “By right” the integration ought to be done with a transverse mode of the longer side. a j i. there are Nm left-propagating/decaying states on the left of the interface corresponding to reﬂected incident waves at the interface. we have a yII yII dy φII (y)ψI (x0 . i. y) = ψII (x0 . and the section on the right to be the narrower one located from yII to yII + LII so that φII = L2 sin(nπ/LII (y − yII )) < LI . and Nm right propagating/decaying states on the right of the interface corresponding to the incident waves transmitted across the interface.m i aII (eiki n x0 ) which actually consists of 2 seperate equations since each spinor actually has 2 components.

y)−D(kx +ky ). on my Core 2 Q9550 computer overclocked to 3 GHz to generate the graphs above. The transmission is high when the magnetization in the middle region is parallel to those of the two leads. Here I reproduce someething which looks a bit similar to Fig. C.where ai and bj are the coeﬃcients of the modes in the source and drains respectively. The basic setup for the system under consideration is shown below. The lower subblock looks like this as well except that Ak± is replaced by −Ak . Probably one reason is that this is very computationally intensive . B. the upper subblock looks like H(k) = e+ + V − m + k 2 Ak+ Ak− e− + V − m − k 2 2 2 where e± = (C ± M ). k± = kx ±iky . m± = (D ± B) and k 2 = kx + ky . positive ks. 3 of the paper. although this it is rather slow and memory intensive. As an example. Unpacking and recombining the various terms. D. and right propagating modes refer to those modes with real. the ‘transmission’ is also high when the lead and central magnetizations are exactly anti-parallel to each other. and about 3. The tranamission decreases for intermediate relative orientations of the lead and central magnetizations. So far I haven’t seen anyone do NEGF formulation of the BHZ Hamiltonian.5GB of RAM. Somewhat surprisingly. 081402(R) which uses the 4-band BHZ Hamiltonian H = = H(k) 0 0 H ∗ (−k) k + Mk Ak+ 0 0 Ak− k − Mk 0 0 0 0 k + Mk −Ak− 0 0 −Ak+ k − Mk 2 2 2 2 where k = C +V (x. BHZ Hamiltonian Here I attempt to build an NEGF formulation of the work in PRB83. we calculate the ‘magnetoresistance’ for the magnetizations of the leads and the central region both lying in the xy plane and having the same magnetide as a function of the energy E and the magnetization direction of the middle region. Mk = M −B(kx +ky ). although in this case the width of the strip is 300 nm while that in the paper is 200 nm. and A. Compared to the other method of wavefunction matching. I think the NEGF formulation works. the NEGF is probably 4 .it took me about 15 minutes of computational time. and M are parametrs describing the band structure of a HgTe/CdTe QW.

Apparently. substantial particle (I don’t know which corresponds to electrons/holes) densities can be found on both transverse edges of the narrow regions but in the wider TI regions (those away from the central hole) substantial particle density can only be found on the top edge. Incidentally. the picture above is interesting because it shows that in the regions where the TI is ’narrow’ (near the middle x direction of the picture) on either side of the central hole.superior in that it’s easier to set up arbitary geometries (like holes in the middle) as well as add multiple leads to the edges. 5 . one needs substantial transverse width before non-trivial TI behaviour can be exhibited.

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