The spin-splitting energy in wurtzite structure semiconductors had been investigated by linear combination of atomic orbital method (LCAO), atomic bond orbital method and two-band k¡Ep method. In order to explain the large zero field spin splitting in wurtzite GaN, a different mechanism (£GC1¡V£GC3 coupling) was proposed, which originated from the intrinsic wurtzite effects (band folding and wurtzite bulk inversion asymmetry). The band-folding effect generates two conduction bands (£GC1 and £GC3), in which p-wave probability has tremendous change when kz approaches the anticrossing zone. The spin-splitting energy induced by the£GC1¡V£GC3 coupling and wurtzite bulk inversion asymmetry is much larger than theory calculation of Kane model. When we apply the coupling to GaN/AlN quantum wells, we find that the spin-splitting energy is sensitively controllable by an electric field. It is also found that ideal wurtzite bulk inversion asymmetry yields not only a spin-degenerate line (along the kz axis; time reversal axis) but also a minimum-spin-splitting surface, which can be regarded as a spin-degenerate surface in the form of bkz2- k//2=0 (b≈4) near the £F point. This phenomenon is referred to as the Dresselhaus effect (defined as the cubic-in-k term) in bulk wurtzite materials because it generates a term £^wz(bkz2- k//2)(£mxky-£mykx)=0 in the two-band k¡Ep Hamiltonian. And it is also demonstrated that in the k.p scheme, the spin splitting vanishes to cubic order in k. Consequently, the D¡¦yakonov-Perel¡¦ (DP) spin relaxation mechanism can be effectively suppressed for all spin components in [001] wurtzite quantum wells (QWs) at a resonance condition through device design with appropriate strain, gate voltage or optical illumination. In conclusion: (1) the spin-splitting energy is enhance by wurtzite bulk inversion asymmetry; (2) the spin-splitting energy in wurtzite quantum well is sensitively controllable by electric field; (3) there exist a spin degenerate surface for wurtzite materials in k¡Ep scheme. Therefore, wurtzite QWs (e.g., InGaN/AlGaN and InN/AlInN) are potential candidates for spintronic devices such as the resonant spin lifetime transistor.

Veeco Applied EPI 930 molecular beam epitaxy system equipped with a radio frequency plasma assisted nitrogen source has been introduced and the growth procedure and some specialized measurements are also described. The GaN thin films grown by RF-MBE have been talked about nitridation, low temperature GaN buffer layer, and GaN epilayer. The nitridation is a necessary for grown GaN on c-sapphire. From the result of the HRXRD symmetric (002) rocking curve, the magnitude of the FWHM of the GaN films without nitridation was larger than the films with nitridation. The growth temperature of the LT GaN buffer layer was the major factor on the quality of GaN epilayer which grown on the almost without nitridated sapphire substrate. The growth condition of high growth temperature, thin, low growth rate, and low N/Ga ratio of the LT GaN buffer layer can improve the sequent GaN epilayer quality. On the other hand, in the N/Ga flux ratio of GaN epitaxy layer experiment, we have found three interesting results. First, the narrowest peak width of PL spectrum appeared in a slight Ga-rich condition. Second, the smallest of HRXRD FWHM appeared in the nearly stoichiometry condition. Third, the highest electron mobility and less overall dislocations appeared in a slight N-rich condition. Finally, we report the results about AlGaN/GaN heterostructure grown by metalorganic chemical vapor deposition. The piezoelectric effect on the Alx-£_In£_Ga1-xN/GaN heterostructures was investigated and we found that a little In atom in the spacer (£_< 0.01 %) will substantially reduce the strain at interface due to the much larger size of the In atom in comparison to Al and Ga atoms. The electric field at the interface is reduced one order of magnitude smaller than that of the heterostructure without In atom. Two SdH oscillations beat each other due to the population of the lowest two subbands was been seen. Another two SdH oscillations beating have been observed in modulation-doped AlxGa1-xN/GaN heterostructures caused by the finite zero-filed spin splitting due to the inversion-asymmetry-induced bulk k3 term.

In this study, the spin-splitting energy of the lowest conduction bands in bulk zincblende and wurtzite structures of III-V semiconductors had been investigated by the linear combination of atomic orbital (LCAO) method, the atomic bond-orbital model (ABOM), and the two-band k¡Dp (2KP) model. Spin-splitting calculation for zincblende structures: We develop a 16-band atomic bond-orbital model (ABOM) to compute the spin splitting induced by bulk inversion asymmetry in zincblende materials. This model is derived from the linear combination of atomic orbital (LCAO) scheme such that the characteristics of the real atomic orbitals can be preserved to calculate the spin splitting. The Hamiltonian of 16-band center-zone ABOM (CZABOM) is based on a similarity transformation performed on the nearest-neighbor LCAO Hamiltonian with a second-order Taylor expansion over k at the £F point. The spin-splitting energies in bulk zincblende semiconductors, GaAs and InSb, are calculated, and the results agree with the LCAO and first-principles calculations. However, we find that the spin-orbit coupling between bonding and antibonding p-like states, evaluated by the 16CZABOM, dominates the spin splitting of the lowest conduction bands in the zincblende materials. Spin-splitting calculation for wurtzite structures: The spin-splitting energies in biaxially strained bulk wurtzite material AlN are calculated using the linear combination of atomic orbital (LCAO) method, and the equi-spin-splitting distributions in k-space near the minimum-spin-splitting (MSS) surfaces are illustrated. These data are compared with those derived analytically by two-band k¡Dp (2KP) model. It is found that the results from these two methods are in good agreement for small k. However, the ellipsoidal MSS surface under biaxial compressive strain does not exist in the 2KP model, because the data points are far from the £F point. Instead, three basic shapes of the MSS surface occur in the wurtzite Brillouin zone: a hyperboloid of two sheets, a hexagonal cone, and a hyperboloid of one sheet, evaluated from the LCAO method across the range of biaxial strains from compressive to tensile. The shapes of the equi-spin-splitting (ESS) surfaces near these MSS surfaces have also three types: a hyperboloid of one sheet, an approximate, asymmetric hyperboloid surface, and an opposing hyperboloid of one sheet.

The design, fabrication, and characterizations of the spin-polarized AlxGa1-xN/GaN HEMT structure have been achieved for spintronic application. By band calculation within linear combination of atomic orbitals and two-band k·p methods, the theoretical spin-splitting energy and minimum-spin-splitting surface of wurtzite structure have been investigated as a function of the Fermi wavevector with various strain-relaxations. Base on these results, the design of host material of the nonballistic spin-FET has also been proposed. By optimizing the Al composition and n2DEG, the Fermi surface of two-dimensional electron gas is supposed to reach the minimum-spin-splitting surface to produce resonant spin-lifetime. Because the high quality AlxGa1-xN/GaN HEMT structure is necessary for realizing the spin-FET, the influence of the growth conditions on the polarity and structure quality of the GaN epilayer have been studied on the sample grown by plasma-assisted molecular beam epitaxy. Ga-polar AlGaN/GaN heterostructures on c-Al2O3 has been realized by growing over the Al-rich AlN nucleation layer. And the reduction of interface roughness and threading dislocation scatterings of the electrons in two-dimensional electron gas has also been achieved by growing GaN epilayer under slightly Ga-rich condition. Furthermore, the effect of different types of threading dislocation on the electron mobility of the AlxGa1-xN/GaN HEMT structure has been investigated as well. At low temperature, the electron mobility of two-dimensional electron gas in AlGaN/GaN heterostructures is majorly scattered by the edge type dislocation rather than the screw type. The designs of proposed host material for spin-FETs have been realized through growing high quality spin-polarized AlxGa1-xN/GaN HEMT structures with various Al composition (x= 0.191 ¡V 0.397) grown on c-Al2O3 by metalorganic vapor phase epitaxy. The high mobility (10682 cm2/Vs at 0.4 K), flat interface (surface roughness < 0.5 nm), and high quality HEMT provide a good environment to study the spin-splitting energy. To investigate the spin-splitting energy as functions of the Fermi wavevector, the Shubnikov-de Haas measurements were performed. A large spin-splitting energy (10.76 meV) has been fabricated in Al0.390Ga0.61N/GaN HEMT structure with kf = 8.14 ¡Ñ 108 m-1 for the host material of the Datta-Das spin-FET. And for the first time, the minimum-spin-splitting surface has been experimentally generated in Al0.390Ga0.61N/GaN HEMT structure with kf = 8.33 ¡Ñ 108 m-1 for the host material of the nonballistic spin-FET.

<p>This thesis addresses electron spin phenomena in semi-conductor quantum dots/anti-dots from a computational perspective. In the first paper (paper I) we have studied spin-dependent transport through open quantum dots, i.e., dots strongly coupled to their leads, within the Hubbard model. Results in this model were found consistent with experimental data and suggest that spin-degeneracy is lifted inside the dot – even at zero magnetic field.</p><p>Similar systems were also studied with electron-electron effects incorporated via Density Functional Theory (DFT) in paper III. Within DFT we found a significant spin-polarisation in the dot at low electron densities. As the electron density increases the spin polarisation in the dot gradually diminishes. These findings are consistent with available experimental observations. Notably, the polarisation is qualitatively different from the one found in the Hubbard model – this indicates that the simplified approach to electronelectron interaction in the Hubbard model might not always be reliable.</p><p>In paper II we propose a spin-filter device based on resonant backscattering of edge states against a quantum anti-dot embedded in a quantum wire. A magnetic field is applied and the spin up/spin down states are separated through Zeeman splitting. Their respective resonant states may be tuned so that the device can be used to filter either spin in a controlled way.</p> / Report code: LIU-Tek-Lic 2005:65

Optická odezva BiTeX (X = I, Cl, Br) polovodičových materiálů s obřím spinovým štěpením Rashbova typu je studována za nízkých teplot do vysokých magnetických polí, kde je směr magnetické indukce kolmý na povrch vzorku (Faradayova konfigurace). Na rozdíl od reflexního uspořádání nám transmisní uspořádání umožňuje přímé pozorování přechodů mezi Landauovými hladinami v blízkosti křižiště vodivostních pásů - Diracův bod. Optická odezva BiTeX sloučenin je srovnána s teoretickým modelem spočteným v rámci Kubo-Greenwoodova formalismu z Rashbova hamiltonianu.

This thesis addresses electron spin phenomena in semi-conductor quantum dots/anti-dots from a computational perspective. In the first paper (paper I) we have studied spin-dependent transport through open quantum dots, i.e., dots strongly coupled to their leads, within the Hubbard model. Results in this model were found consistent with experimental data and suggest that spin-degeneracy is lifted inside the dot – even at zero magnetic field. Similar systems were also studied with electron-electron effects incorporated via Density Functional Theory (DFT) in paper III. Within DFT we found a significant spin-polarisation in the dot at low electron densities. As the electron density increases the spin polarisation in the dot gradually diminishes. These findings are consistent with available experimental observations. Notably, the polarisation is qualitatively different from the one found in the Hubbard model – this indicates that the simplified approach to electronelectron interaction in the Hubbard model might not always be reliable. In paper II we propose a spin-filter device based on resonant backscattering of edge states against a quantum anti-dot embedded in a quantum wire. A magnetic field is applied and the spin up/spin down states are separated through Zeeman splitting. Their respective resonant states may be tuned so that the device can be used to filter either spin in a controlled way. / <p>Report code: LIU-Tek-Lic 2005:65</p>