Itinerant Spin Dynamics in Structures of ... - Jacobs University

Itinerant Spin Dynamics in Structures of ... - Jacobs University Itinerant Spin Dynamics in Structures of ... - Jacobs University

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100 Chapter 5: Spin Hall Effect localization length ξ, |ψ(x)| 2 ∼ exp(−x/ξ), which leads to ρ exp[ 1 ∫ ( ( )] L typ πL = 2 0 drr∫ 2π 0 dϕ ln exp − r ξ )ρ 0 ρ ∫ [ (5.49) avr 1 L πL 2 0 drr∫ 2π 0 dϕ exp − r ξ ]ρ 0 ] L 2 =− =− L ξ exp[ 1 3 ( 2ξ L+ξ −ξexp[ L ξ with u = L/ξ. From the last equation we can conclude that ]) (5.50) exp [ 1 3 u] u 2 2(u+1−exp[u]) , (5.51) ρ • this value vanishes in the thermodynamic limit, lim typ L→∞ ρ avr = 0, • the fraction is a monotone function of the system length L (in contrast to e.g. the 1d case). The explained difference between the averaged and typical DOS is plotted in Fig.5.7: In (a) the averaged DOS is plotted for different impurity potentials V. The band edges are shifted to larger energies with larger V. In contrast, in (b) the typical DOS is plotted for different system sizes at impurity strength V = 8t. The product of local densities leads to a strong reduction with the size. This reduction is also significant at the band edges. Knowing the 0.25 0.20 0.03 0.15 Ρaver Ρ typ 0.02 0.10 0.05 0.01 0.00 5 0 5 0.00 6 4 2 0 2 4 6 E E (a) (b) Figure 5.7: (a) Averaged DOS ρ avr calculated with KPM (30 impurity configurations) for system size of L 2 = 280 2 with Rashba SOC α 2 = 0.5t, for different impurity strengths: V = 1t(black), V = 4t(red), V = 6t(green), V = 8t(blue) (b) Monotoneous reduction of typical DOS ρ typ with system size L = 70, 140, 200, 280, for impurity strength V = 8t. behavior of the typical DOS ρ typ , we carried out a finite size analysis for different impurity

Chapter 5: Spin Hall Effect 101 strengths V in a system with weak Rashba SOC strength α 2 = 0.5t to find the critical value V c for the MIT. From Landauer-Bütiker calculations[SST05] it follows that at impurity strength V = 8t we are already in the insulating regime. The typical DOS ρ typ decays exponentially with L, as plotted in Fig.5.8 (a), which confirms this assumption. If V is reduced the localization length ξ shows a strong increase, as shown in Fig.5.8 (b), which in turn slows down the reduction of ρ typ , which comes along with increasing system size, significantly in case of large localization lengths. Adding the results from the calculation of 800 0.030 600 Ρ typ 0.020 Ξ a 400 0.015 200 0.010 50 100 150 200 250 (a) L a 0 0 2 4 6 8 10 (b) V t Figure 5.8: (a) Log-plot of typical DOS ρ typ at V = 8t for different system sizes L with Rashba SOC α 2 = 0.5t at half filling, calculated with KPM. The dashed line is a linear fit to the log-data which yields a localization length of ξ ≈ 100a. (b) Localization length ξ at E F = 0, plotted as a function of impurity strength V. ρ typ /ρ avr , which is plotted in Fig.5.9 as function of the inverse system size 1/L 2 for E F = 0, we can conclude that for V 5t we are in the insulating regime. For a more precise analysis we have to go to larger systems due to the large localization lengths. 5.3.3 SHC calculation using KPM In this section we are going to present calculation of SHC for much larger systems than with exact diagonalization analysis, using KPM. Also here we will use the Kubo formalism which is why we have to reformulate Eq.(5.5) to be applicable to this iterative method. In contrast to the calculation of the DOS, here we have to deal with a correlation of two operators. We will follow the approach presented in the KPM review by Weiße et al.[WWAF06]. WestartwithaKPMwhereweexpandafunctiononlyinonedimension. Givenacorrelation

Chapter 5: <strong>Sp<strong>in</strong></strong> Hall Effect 101<br />

strengths V <strong>in</strong> a system with weak Rashba SOC strength α 2 = 0.5t to f<strong>in</strong>d the critical value<br />

V c for the MIT. From Landauer-Bütiker calculations[SST05] it follows that at impurity<br />

strength V = 8t we are already <strong>in</strong> the <strong>in</strong>sulat<strong>in</strong>g regime. The typical DOS ρ typ decays<br />

exponentially with L, as plotted <strong>in</strong> Fig.5.8 (a), which confirms this assumption. If V is<br />

reduced the localization length ξ shows a strong <strong>in</strong>crease, as shown <strong>in</strong> Fig.5.8 (b), which<br />

<strong>in</strong> turn slows down the reduction <strong>of</strong> ρ typ , which comes along with <strong>in</strong>creas<strong>in</strong>g system size,<br />

significantly <strong>in</strong> case <strong>of</strong> large localization lengths. Add<strong>in</strong>g the results from the calculation <strong>of</strong><br />

800<br />

0.030<br />

600<br />

Ρ typ<br />

0.020<br />

Ξ a<br />

400<br />

0.015<br />

200<br />

0.010<br />

50 100 150 200 250<br />

(a)<br />

L a<br />

0<br />

0 2 4 6 8 10<br />

(b)<br />

V t<br />

Figure 5.8: (a) Log-plot <strong>of</strong> typical DOS ρ typ at V = 8t for different system sizes L with<br />

Rashba SOC α 2 = 0.5t at half fill<strong>in</strong>g, calculated with KPM. The dashed l<strong>in</strong>e is a l<strong>in</strong>ear fit<br />

to the log-data which yields a localization length <strong>of</strong> ξ ≈ 100a. (b) Localization length ξ at<br />

E F = 0, plotted as a function <strong>of</strong> impurity strength V.<br />

ρ typ /ρ avr , which is plotted <strong>in</strong> Fig.5.9 as function <strong>of</strong> the <strong>in</strong>verse system size 1/L 2 for E F = 0,<br />

we can conclude that for V 5t we are <strong>in</strong> the <strong>in</strong>sulat<strong>in</strong>g regime. For a more precise analysis<br />

we have to go to larger systems due to the large localization lengths.<br />

5.3.3 SHC calculation us<strong>in</strong>g KPM<br />

In this section we are go<strong>in</strong>g to present calculation <strong>of</strong> SHC for much larger systems<br />

than with exact diagonalization analysis, us<strong>in</strong>g KPM. Also here we will use the Kubo<br />

formalism which is why we have to reformulate Eq.(5.5) to be applicable to this iterative<br />

method. In contrast to the calculation <strong>of</strong> the DOS, here we have to deal with a correlation<br />

<strong>of</strong> two operators. We will follow the approach presented <strong>in</strong> the KPM review by Weiße et<br />

al.[WWAF06].<br />

WestartwithaKPMwhereweexpandafunctiononly<strong>in</strong>onedimension. Givenacorrelation

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