We present a technique to calculate the spin relaxation of hot electrons during their energy thermalization in the Gamma-valley of zinc-blende semiconductors. The results of this model match recent experimental data and they can be used to check the applicability of spin related boundary conditions across a semiconductor/ferromagnet junction in reverse bias conditions (spin injection).
The structural and optical properties of 3 different kinds of GaAs nanowires with 100% zinc-blende structure and with an average of 30% and 70% wurtzite are presented. A variety of shorter and longer segments of zinc-blende or wurtzite crystal phases are observed by transmission electron microscopy in the nanowires. Sharp photoluminescence lines are observed with emission energies tuned from 1.515 eV down to 1.43 eV when the percentage of wurtzite is increased. The downward shift of the emission peaks can be understood by carrier confinement at the interfaces, in quantum wells and in random sh…
Developing a valence force field model for wurtzite semiconductors by exploiting similarities with [111]-oriented zinc blende systems: The case of wurtzite boron nitride, III-N materials and (B,In,Ga)N alloys
he correct estimation of thermal properties of ultra-scaled CMOS and thermoelectric semiconductor devices demands for accurate phonon modeling in such structures. This work provides a detailed description of the modified valence force field (MVFF) method to obtain the phonon dispersion in zinc-blende semiconductors. The model is extended from bulk to nanowires after incorporating proper boundary conditions. The computational demands by the phonon calculation increase rapidly as the wire cross-section size increases. It is shown that the nanowire phonon spectrum differ considerably from the bul…
Polarization dependent Raman scattering experiments realized on single GaAs nanowires with different percentages of zinc-blende and wurtzite structure are presented. The selection rules for the special case of nanowires are found and discussed. In the case of zinc-blende, the transversal optical mode E1(TO) at 267 cm-1 exhibits the highest intensity when the incident and analyzed polarization are parallel to the nanowire axis. This is a consequence of the nanowire geometry and dielectric mismatch with the environment, and in quite good agreement with the Raman selection rules. We also find a c…
We employ first-principles techniques tailored to properly describe semiconductors (modified Becke-Johnson potential added to the exchange-correlation functional), to obtain the electronic band structures of both the zinc-blende and wurtzite phases of GaAs, GaSb, InAs, and InSb. We extract the spin-orbit fields for the relevant valence and conduction bands at zone center, by fitting the spin-splittings resulting from the lack of space inversion symmetry of these bulk crystal structures, to known functional forms---third-order polynomials. We also determine the orientations of the spin-orbit ve…
Most III-V semiconductors, which acquire the zinc-blende phase as bulk materials, adopt the metastable wurtzite phase when grown in the form of nanowires. These are new semiconductors with new optical properties, in particular, a different electronic band gap when compared with that grown in the zinc-blende phase. The electronic gap of wurtzite InAs at the Gamma-point of the Brillouin zone (E0 gap) has been recently measured, E0 = 0.46 eV at low temperature. The electronic gap at the A point of the Brillouin zone (equivalent to the L point in the zinc-blende structure, E1) has also been obtain…
The D'yakonov-Perel' mechanism, intimately related to the spin splitting of the electronic states, usually dominates the spin relaxation in zinc blende semiconductor quantum structures. Previously it has been formulated for the two limiting cases of low and high temperatures. Here we extend the theory to give an accurate description of the intermediate regime which is often relevant for room temperature experiments. Employing the self-consistent multiband envelope function approach, we determine the spin splitting of electron subbands in n-(001) zinc blende semiconductor quantum structures. Us…
We develop a theory of electron-photon interaction for helical edge channels in two-dimensional topological insulators based on zinc-blende-type quantum wells. It is shown that the lack of space inversion symmetry in such structures enables the electro-dipole optical transitions between the spin branches of the topological edge states. Further, we demonstrate the linear and circular dichroism associated with the edge states and the generation of edge photocurrents controlled by radiation polarization.
Spin relaxation in-plane anisotropy is predicted for heterostructures based on zinc-blende semiconductors. It is shown that it manifests itself especially brightly if the two spin relaxation mechanisms (D'yakonov-Perel' and Rashba) are comparable in efficiency. It is demonstrated that for the quantum well grown along the [0 0 1] direction, the main axes of spin relaxation rate tensor are [1 1 0] and [1 -1 0].
Semiconductor nanocrystals (NCs) experience stress and charge transfer by embedding materials or ligands and impurity atoms. In return, the environment of NCs experiences a NC stress response which may lead to matrix deformation and propagated strain. Up to now, there is no universal gauge to evaluate the stress impact on NCs and their response as a function of NC size $d_{\mathrm{NC}}$. I deduce geometrical number series as analytical tools to obtain the number of NC atoms $N_{\mathrm{NC}}(d_{\mathrm{NC}}[i])$, bonds between NC atoms $N\mathrm{_{bnd}}(d_{\mathrm{NC}}[i])$ and interface bonds …
A novel method for the direct correlation at the nanoscale of structural and optical properties of single GaAs nanowires is reported. Nanowires consisting of 100% wurtzite and nanowires presenting zinc-blende/wurtzite polytypism are investigated by photoluminescence spectroscopy and transmission electron microscopy. The photoluminescence of wurtzite GaAs is consistent with a band gap of 1.5 eV. In the polytypic nanowires, it is shown that the regions that are predominantly composed of either zinc-blende or wurtzite phase show photoluminescence emission close to the bulk GaAs band gap, while re…
Solid state physics and quantum electrodynamics with its ultra-relativistic (massless) particles meet, to their mutual beneit, in the electronic properties of one-dimensional carbon nanotubes as well as two-dimensional graphene or surfaces of topological insulators. However, clear experimental evidence for electronic states with conical dispersion relations in all three dimensions, conceivable in certain bulk materials, is still missing. In the present work, we fabricate and study a zinc-blend crystal, HgCdTe, at the point of the semiconductor-to-semimetal topological transition. Three-dimensi…
We describe an intrinsic spin-Hall effect in $n$-type bulk zinc-blende semiconductors with topological origin. When electron transport is confined to a waveguide structure, and the applied electric field is such that the spins of electrons remain as eigenstates of the Dresselhaus spin-orbit field with negligible subband mixing, a gauge structure appears in the momentum space of the system. In particular, the momentum space exhibits a non-trivial Berry curvature which affects the transverse motion of electrons anisotropically in spin, thereby producing a finite spin-Hall effect. The effect shou…
In this work, we present and evaluate a (111)-rotated eight-band $\mathbf{k}\cdot\mathbf{p}$ Hamiltonian for the zinc-blende crystal lattice to investigate the electronic properties of site-controlled InGaAs/GaAs quantum dots grown along the [111] direction. We derive the rotated Hamiltonian including strain and piezoelectric potentials. In combination with our previously formulated (111)-oriented continuum elasticity model, we employ this approach to investigate the electronic properties of a realistic site-controlled (111)-grown InGaAs quantum dot. We combine these studies with an evaluation…
Group theoretical methods and ${\bf k}\cdot{\bf p}$ theory are combined to determine spin-dependent contributions to the effective conduction band Hamiltonian. To obtain the constants in the effective Hamiltonian, in general all invariants of the Hamiltonian have to be determined. Hence, we present a systematic approach to keep track of all possible invariants and apply it to the ${\bf k}\cdot{\bf p}$ Hamiltonian of crystals with zinc-blende symmetry, in order to obtain all possible contributions to effective quantities such as effective mass, g-factor and Dresselhaus constant. Further spin-de…
Self-selective growth of GaAs1-xBix on GaAs zinc blende/wurtzite nanowire heterostructures
Lund University（隆德大学）；NanoLund, Lund University（隆德大学纳米隆德）；Centre for Analysis and Synthesis, Lund University（隆德大学分析与合成中心）；MAX IV Laboratory, Lund University（隆德大学MAX IV实验室）；Niels Bohr Institute, University of Copenhagen（哥本哈根大学尼尔斯玻尔研究所）
We report both zinc-blende (ZB) and wurtzite (WZ) crystal phase self-assembled GaAs quantum dots (QDs) embedding in a single GaAs/AlGaAs core-shell nanowires (NWs). Optical transitions and single-photon characteristics of both kinds of QDs have been investigated by measuring photoluminescence (PL) and time-resolved PL spectra upon application of hydrostatic pressure. We find that the ZB QDs are of direct band gap transition with short recombination lifetime (~1 ns) and higher pressure coefficient (75-100 meV/GPa). On the contrary, the WZ QDs undergo a direct-to-pseudodirect bandgap transition …
The properties of neutral acceptor states in zinc-blende semiconductors are re-examined in the frame of extended-basis $sp^3d^5s^*$ tight-binding model. The symmetry discrepancy between envelope function theory and atomistic calculations is explained in terms of over symmetric potential in current k$\cdot$p approaches. Spherical harmonics decomposition of microscopic Local Density Of States (LDOS) allows for the direct analysis of the tight-binding results in terms of envelope function. Lifting of degeneracy by strain and electric field and their effect on LDOS is examined. The fine structure …
We consider theoretically the electronic structure of quasi-two and quasi-one-dimensional heterostructures comprised of III-V and II-VI semiconductors such as InAs/GaInSb and HgCdTe. We show that not only a Dirac-like dispersion exists in these materials when the energy gap approaches zero, but that the states with opposite momentum are orthogonal (i.e. can be described by a pseudo-spin), which suppresses backscattering and thereby enhances the electron mobility, by analogy with the case of graphene. However, unlike in graphene, a quasi-one-dimensional quantum wire with zero gap can be realize…
The ground state of an acceptor-bound hole in a zinc-blende semiconductor is formed by four eigenstates of the total angular momentum, which is a vector sum of spin and orbital moment of the hole. As a result, the hyperfine interaction of the hole with lattice nuclei becomes anisotropic and coordinate-dependent. We develop a theory of dynamic polarization of nuclear spins by the acceptor-bound hole, giving full account for its complex spin structure. The rate of hole-nuclear flip-flop transitions is shown to depend on the angle between the total angular momentum of the hole and the position ve…
We study the effects of spin-orbit coupling on the magnetoconductivity in diffusive cylindrical semiconductor nanowires. Following up on our former study on tubular semiconductor nanowires, we focus in this paper on nanowire systems where no surface accumulation layer is formed but instead the electron wave function extends over the entire cross section. We take into account the Dresselhaus spin-orbit coupling resulting from a zinc-blende lattice and the Rashba spin-orbit coupling, which is controlled by a lateral gate electrode. The spin relaxation rate due to Dresselhaus spin-orbit coupling …
The spin relaxation of a two-dimensional electron system (2DES) formed in a symmetric quantum well is studied theoretically when the quantum well is parallel to the (110) plane of the zinc-blende structure, the spin polarization is perpendicular to the well, and electrons occupy only the ground subband. The spin relaxation rate is calculated as a function of the distribution of donor impurities which are placed in the well layer. Considered processes of the spin relaxation are (1) intrasubband process by impurity-potential-induced spin-orbit interaction (SOI), which is the Elliott-Yafet mechan…
We investigate exciton states theoretically in strained GaN/AlN quantum dots with wurtzite (WZ) and zinc-blende (ZB) crystal structures, as well as strained WZ GaN/AlGaN quantum dots. We show that the strain field significantly modifies the conduction and valence band edges of GaN quantum dots. The piezoelectric field is found to govern excitonic properties of WZ GaN/AlN quantum dots, while it has a smaller effect on WZ GaN/AlGaN, and very little effect on ZB GaN/AlN quantum dots. As a result, the exciton ground state energy in WZ GaN/AlN quantum dots, with heights larger than 3 nm, exhibits a…
A systematic numerical investigation of spin-orbit fields in the conduction bands of III-V semiconductor nanowires is performed. Zinc-blende InSb nanowires are considered along [001], [011], and [111] directions, while wurtzite InAs nanowires are studied along [0001] and [10$\overline{1}$0] or [11$\overline{2}$0] directions. Realistic multiband $\vec{k} \cdot \vec{p}\,$ Hamiltonians are solved by using plane-wave expansions of real-space parameters. In all cases the linear and cubic spin-orbit coupling parameters are extracted for nanowire widths from 30 to 100 nm. Typical spin-orbit energies …
The in-plane coefficient of thermal expansion (CTE) for CdSe nanoplatelets with the zinc-blende structure containing from two to five monolayers is calculated from first principles within the quasiharmonic approximation. A comparison of the obtained results with those for bulk CdSe with both the zinc-blende and wurtzite structures finds a significant increase in the magnitude of negative CTE and the temperature range of its observation in nanoplatelets. The main contribution to the negative thermal expansion in CdSe nanoplatelets is given by the out-of-plane flexural ZA mode and in-plane optic…
Basal-plane stacking faults are an important class of optically active structural defects in wurtzite semiconductors. The local deviation from the 2H stacking of the wurtzite matrix to a 3C zinc-blende stacking induces a bound state in the gap of the host crystal, resulting in the localization of excitons. Due to the two-dimensional nature of these planar defects, stacking faults act as quantum wells, giving rise to radiative transitions of excitons with characteristic energies. Luminescence spectroscopy is thus capable of detecting even a single stacking fault in an otherwise perfect wurtzite…
The relaxation process of electron spin in systems of electrons interacting with piezoelectric deformation phonons that are mediated through spin-orbit interactions was interpreted from a microscopic point of view using the formula for the electron spin relaxation times derived by a projection-reduction method. The electron spin relaxation times in two polymorphic structures of GaN were calculated. The piezoelectric material constant for the wurtzite structure obtained by a comparison with a previously reported experimental result was P_pe=1.5 x 10^29 eV/m. The temperature and magnetic field d…
The persistent spin helix (PSH) that has been widely and exclusively studied in zinc-blende structures is revealed for the first time on the surface of a wurtzite structure. Through first-principles calculations of the ZnO(10-10) surface, a quasi-one dimensional orientation of the spin textures is identified. Further, the wavelength of this particular PSH is smaller than that observed with various zinc-blende quantum well structures, thus indicating that wurtzite-structured surfaces are suitable for spintronics applications.
In this paper, the structural, electronic and magnetic properties of Zinc-blende Ga1-xVxSb compounds, with x from dilute doping situation to extreme doping limiting, were systematically investigated by first-principles calculations. V atoms prefer to substitute the Ga atoms and the formation energy is lower in Sb-rich than Ga-rich growth condition. Meantime, the SbGa antisite defects can effectively decrease the energy barrier of substitution process, from 0.85 eV to 0.53 eV. The diffusion of V atom in GaSb lattice is through meta-stable interstitial sites with an energy barrier of 0.6 eV. At …
The intrinsic spin Hall effect in semiconductors has developed to a remarkably lively and rapidly growing branch of research in the field of semiconductor spintronics. In this article we give a pedagogical overview on both theoretical and experimental accomplishments and challenges. Emphasis is put on the the description of the intrinsic mechanisms of spin Hall transport in III-V zinc-blende semiconductors, and on the effects of dissipation.
The theory of spin relaxation of conduction electrons is developed for zinc-blende-type quantum wells grown on (110)-oriented substrate. It is shown that, in asymmetric structures, the relaxation of electron spin initially oriented along the growth direction is characterized by two different lifetimes and leads to the appearance of an in-plane spin component. The magnitude and sign of the in-plane component are determined by the structure inversion asymmetry of the quantum well and can be tuned by the gate voltage. In an external magnetic field, the interplay of cyclotron motion of carriers an…
A new mechanism of electron paramagnetic resonance in spherical zinc-blende semiconductor nanocrystals, based on the extended orbital motion of electrons in the entire nanocrystal, is presented. Quantum confinement plays a crucial role in making the resonance signal observable. The mechanism remains operative in nanocrystals with uniaxially distorted shape. A theoretical model based on the proposed mechanism is in good quantitative agreement with unusual ODMR spectra observed in nearly spherical CdSe nanocrystals.
We develop the microscopic theory of electron spin dephasing in (110)-grown quantum wells where the electron scattering time is comparable to or exceeds the period of spin precession in the effective magnetic field caused by spin-orbit coupling. Structures with homogeneous and fluctuating Rashba field, which triggers the dephasing of electron spins aligned along the growth direction, are analyzed. We show that the Dresselhaus field, which is always present in zinc-blende-type quantum wells, suppresses the spin dephasing enabling very long spin lifetime of conduction electrons. The dependence o…
We study the zitterbewegung of electronic wave packets in III-V zinc-blende semiconductor quantum wells due to spin-orbit coupling. Our results suggest a direct experimental proof of this fundamental effect, confirming a long-standing theoretical prediction. For electron motion in a harmonic quantum wire, we numerically and analytically find a resonance condition maximizing the zitterbewegung.
We simulated spin polarized transport of electrons along III-V nanowires and two dimensional III-V channels using semi classical Monte Carlo method. Properties of spin relaxation length have been investigated in different III-V zinc-blende materials at various conditions, such as, temperature, external field etc. Spin dephasing in III-V channels is caused due to D'yakonov-Perel (DP) relaxation and due to Elliott-Yafet (EY) relaxation. Spin dephasing length in nanowire is found to be greater than that in 2-D channel.
The problem of electron tunnelling through a symmetric semiconductor barrier based on zinc-blende-structure material is studied. The $k^3$ Dresselhaus terms in the effective Hamiltonian of bulk semiconductor of the barrier are shown to result in a dependence of the tunnelling transmission on the spin orientation. The difference of the transmission probabilities for opposite spin orientations can achieve several percents for the reasonable width of the barriers.
We show that for lattice-mismatched zinc-blende-type (110)-grown quantum wells a significant contribution to the zero-magnetic-field spin splitting of electron subbands comes from strain-induced spin-orbit coupling. Combining envelope function theory and atomistic tight-binding approach we calculate spin-orbit splitting constants for realistic quantum wells. It is found that the strain due to lattice mismatch in conventional GaAs/AlGaAs structures may noticeably modify the spin splitting while in InGaAs/GaAs structures it plays a major role and may even change the sign of the spin splitting co…
Many proposed spintronics devices require mobile electrons at room temperature with long spin lifetimes. One route to achieving this is to use quantum wells with tunable spin-orbit (SO) parameters. Research has focused on zinc-blende materials such as GaAs which do not have long spin lifetimes at room temperature. We show that wurtzite (w) materials, which possess smaller SO coupling due to being low-Z, are better suited for spintronics applications. This leads to predictions of spin lifetimes in w-AlN exceeding 2 ms at helium temperatures and, relevant to spintronic devices, spin lifetimes up…
Device concepts in semiconductor spintronics make long spin lifetimes desirable, and the requirements put on spin control by schemes of quantum information processing are even more demanding. Unfortunately, due to spin-orbit coupling electron spins in semiconductors are generically subject to rather fast decoherence. In two-dimensional quantum wells made of zinc-blende semiconductors, however, the spin-orbit interaction can be engineered in such a way that persistent spin structures with extraordinarily long spin lifetimes arise even in the presence of disorder and imperfections. We review exp…
The notion of zitterbewegung is a long-standing prediction of relativistic quantum mechanics. Here we extend earlier theoretical studies on this phenomenon for the case of III-V zinc-blende semiconductors which exhibit particularly strong spin-orbit coupling. This property makes nanostructures made of these materials very favorable systems for possible experimental observations of zitterbewegung. Our investigations include electrons in n-doped quantum wells under the influence of both Rashba and Dresselhaus spin-orbit interaction, and also the two-dimensional hole gas. Moreover, we give a deta…
We investigate the possibility of spin-preserving symmetries due to the interplay of Rashba and Dresselhaus spin-orbit coupling in n-doped zinc-blende semiconductor quantum wells of general crystal orientation. It is shown that a conserved spin operator can be realized if and only if at least two growth-direction Miller indices agree in modulus. The according spin-orbit field has in general both in-plane and out-of-plane components and is always perpendicular to the shift vector of the corresponding persistent spin helix. We also analyze higher-order effects arising from the Dresselhaus term, …
The presence of low-symmetry impurities or defect complexes in the zinc-blende direct-gap semiconductors (e.g. interstitials, DX-centers) results in a novel spin-orbit term in the effective Hamiltonian for the conduction band. The new extrinsic spin-orbit interaction is proportional to the matrix element of the defect potential between the conduction and the valence bands. Because this interaction arises already in the first order of the expansion of the effective Hamiltonian in powers of Uext/Eg << 1 (where Uext is the pseudopotential of an interstitial atom, and Eg is the band gap), its cont…
