Self-Seeded Axio-Radial InAs-InAs1-xPx Nanowire Heterostructures beyond "Common" VLS Growth.

Semiconductors are essential for modern electronic and optoelectronic devices. To further advance the functionality of such devices, the ability to fabricate increasingly complex semiconductor nanostructures is of utmost importance. Nanowires offer excellent opportunities for new device concepts; heterostructures have been grown in either the radial or axial direction of the core nanowire but never along both directions at the same time. This is a consequence of the common use of a foreign metal seed particle with fixed size for nanowire heterostructure growth. In this work, we present for the first time a growth method to control heterostructure growth in both the axial and the radial directions simultaneously while maintaining an untapered self-seeded growth. This is demonstrated for the InAs/InAs1-xPx material system. We show how the dimensions and composition of such axio-radial nanowire heterostructures can be designed including the formation of a "pseudo-superlattice" consisting of five separate InAs1-xPx segments with varying length. The growth of axio-radial nanowire heterostructures offers an exciting platform for novel nanowire structures applicable for fundamental studies as well as nanowire devices. The growth concept for axio-radial nanowire heterostructures is expected to be fully compatible with Si substrates.

X-ray diffraction strain analysis of a single axial InAs 1-x Px nanowire segment.

The spatial strain distribution in and around a single axial InAs 1-x Px hetero-segment in an InAs nanowire was analyzed using nano-focused X-ray diffraction. In connection with finite-element-method simulations a detailed quantitative picture of the nanowire's inhomogeneous strain state was achieved. This allows for a detailed understanding of how the variation of the nanowire's and hetero-segment's dimensions affect the strain in its core region and in the region close to the nanowire's side facets. Moreover, ensemble-averaging high-resolution diffraction experiments were used to determine statistical information on the distribution of wurtzite and zinc-blende crystal polytypes in the nanowires.

Atomic structure and composition distribution in wetting layers and islands of germanium grown on silicon (001) substrates.

We present a comprehensive structural investigation of the Ge wetting layer (WL) and island growth on Si(001) substrates by a combination of AFM, high resolution transmission electron microscopy and the energy-differential coherent Bragg rod analysis (COBRA) x-ray method. By considering the influence of the initial Si surface morphology on the deposited Ge, these techniques provide quantitative information on the Ge content and its distribution, in particular within the WL which plays a crucial role in the formation of epitaxial nanostructures. In the WL, the Ge content was found to be above 80% for our growth conditions. Furthermore, from the digital analysis of high-resolution transmission electron microscope images, quantitative information on the strain relaxation is obtained, which complements the COBRA analysis of the Ge distribution and content in these nanostructures.

A Novel Ferroelectric Rashba Semiconductor.

Fast, reversible, and low-power manipulation of the spin texture is crucial for next generation spintronic devices like non-volatile bipolar memories, switchable spin current injectors or spin field effect transistors. Ferroelectric Rashba semiconductors (FERSC) are the ideal class of materials for the realization of such devices. Their ferroelectric character enables an electronic control of the Rashba-type spin texture by means of the reversible and switchable polarization. Yet, only very few materials are established to belong to this class of multifunctional materials. Here, Pb1- xGexTe is unraveled as a novel FERSC system down to nanoscale. The ferroelectric phase transition and concomitant lattice distortion are demonstrated by temperature dependent X-ray diffraction, and their effect on electronic properties are measured by angle-resolved photoemission spectroscopy. In few nanometer-thick epitaxial heterostructures, a large Rashba spin-splitting is exhibiting a wide tuning range as a function of temperature and Ge content. This work defines Pb1- xGexTe as a high-potential FERSC system for spintronic applications.

Unit cell structure of crystal polytypes in InAs and InSb nanowires.

The atomic distances in hexagonal polytypes of III-V compound semiconductors differ from the values expected from simply a change of the stacking sequence of (111) lattice planes. While these changes were difficult to quantify so far, we accurately determine the lattice parameters of zinc blende, wurtzite, and 4H polytypes for InAs and InSb nanowires, using X-ray diffraction and transmission electron microscopy. The results are compared to density functional theory calculations. Experiment and theory show that the occurrence of hexagonal bilayers tends to stretch the distances of atomic layers parallel to the c axis and to reduce the in-plane distances compared to those in zinc blende. The change of the lattice parameters scales linearly with the hexagonality of the polytype, defined as the fraction of bilayers with hexagonal character within one unit cell.

X-ray nanodiffraction on a single SiGe quantum dot inside a functioning field-effect transistor.

For advanced electronic, optoelectronic, or mechanical nanoscale devices a detailed understanding of their structural properties and in particular the strain state within their active region is of utmost importance. We demonstrate that X-ray nanodiffraction represents an excellent tool to investigate the internal structure of such devices in a nondestructive way by using a focused synchotron X-ray beam with a diameter of 400 nm. We show results on the strain fields in and around a single SiGe island, which serves as stressor for the Si-channel in a fully functioning Si-metal-oxide semiconductor field-effect transistor.

Crystal structure control in Au-free self-seeded InSb wire growth.

In this work we demonstrate experimentally the dependence of InSb crystal structure on the ratio of Sb to In atoms at the growth front. Epitaxial InSb wires are grown by a self-seeded particle assisted growth technique on several different III-V substrates. Detailed investigations of growth parameters and post-growth energy dispersive x-ray spectroscopy indicate that the seed particles initially consist of In and incorporate up to 20 at.% Sb during growth. By applying this technique we demonstrate the formation of zinc-blende, 4H and wurtzite structure in the InSb wires (identified by transmission electron microscopy and synchrotron x-ray diffraction), and correlate this sequential change in crystal structure to the increasing Sb/In ratio at the particle-wire interface. The low ionicity of InSb and the large diameter of the wire structures studied in this work are entirely outside the parameters for which polytype formation is predicted by current models of particle seeded wire growth, suggesting that the V/III ratio at the interface determines crystal structure in a manner well beyond current understanding. These results therefore provide important insight into the relationship between the particle composition and the crystal structure, and demonstrate the potential to selectively tune the crystal structure in other III-V compound materials as well.

Microphotoluminescence and perfect ordering of SiGe islands on pit-patterned Si(001) substrates.

We show that both the morphology and the optoelectronic properties of SiGe islands growing in the pits of periodically pre-patterned Si(001) substrates are determined by the amount of Ge deposited per unit cell of the pattern. Pit-periods (p) ranging from 300 to 900 nm were investigated, and Ge growth was performed by molecular beam epitaxy (MBE) at temperatures of 690 and 760 °C. The ordered SiGe islands show photoluminescence (PL) emission, which becomes almost completely quenched, once a critical island volume is exceeded. By atomic force and transmission electron microscope images we identify the transition from pyramid-shaped to dome-shaped islands with increasing p. Eventually, the nucleation of dislocations in the islands leads to PL quenching. Below a critical Ge coverage a narrowing and a blue shift of the PL emission is observed, as compared to islands grown on a planar reference area of the same sample.

Self-seeded, position-controlled InAs nanowire growth on Si: A growth parameter study.

In this work, the nucleation and growth of InAs nanowires on patterned SiO(2)/Si(111) substrates is studied. It is found that the nanowire yield is strongly dependent on the size of the etched holes in the SiO(2), where openings smaller than 180 nm lead to a substantial decrease in nucleation yield, while openings larger than ≈500nm promote nucleation of crystallites rather than nanowires. We propose that this is a result of indium particle formation prior to nanowire growth, where the size of the indium particles, under constant growth parameters, is strongly influenced by the size of the openings in the SiO(2) film. Nanowires overgrowing the etched holes, eventually leading to a merging of neighboring nanowires, shed light into the growth mechanism.

Growth mechanism of self-catalyzed group III-V nanowires.

Group III-V nanowires offer the exciting possibility of epitaxial growth on a wide variety of substrates, most importantly silicon. To ensure compatibility with Si technology, catalyst-free growth schemes are of particular relevance, to avoid impurities from the catalysts. While this type of growth is well-documented and some aspects are described, no detailed understanding of the nucleation and the growth mechanism has been developed. By combining a series of growth experiments using metal-organic vapor phase epitaxy, as well as detailed in situ surface imaging and spectroscopy, we gain deeper insight into nucleation and growth of self-seeded III-V nanowires. By this mechanism most work available in literature concerning this field can be described.

Mn-Rich MnSb2 Te4 : A Topological Insulator with Magnetic Gap Closing at High Curie Temperatures of 45-50 K.

Ferromagnetic topological insulators exhibit the quantum anomalous Hall effect, which is potentially useful for high-precision metrology, edge channel spintronics, and topological qubits.  The stable 2+ state of Mn enables intrinsic magnetic topological insulators. MnBi2 Te4 is, however, antiferromagnetic with 25 K Néel temperature and is strongly n-doped. In this work, p-type MnSb2 Te4 , previously considered topologically trivial, is shown to be a ferromagnetic topological insulator for a few percent Mn excess. i) Ferromagnetic hysteresis with record Curie temperature of 45-50 K, ii) out-of-plane magnetic anisotropy, iii) a 2D Dirac cone with the Dirac point close to the Fermi level, iv) out-of-plane spin polarization as revealed by photoelectron spectroscopy, and v) a magnetically induced bandgap closing at the Curie temperature, demonstrated by scanning tunneling spectroscopy (STS), are shown. Moreover, a critical exponent of the magnetization ß ≈ 1 is found, indicating the vicinity of a quantum critical point. Ab initio calculations reveal that Mn-Sb site exchange provides the ferromagnetic interlayer coupling and the slight excess of Mn nearly doubles the Curie temperature. Remaining deviations from the ferromagnetic order open the inverted bulk bandgap and render MnSb2 Te4 a robust topological insulator and new benchmark for magnetic topological insulators.

Coherence and wavefront characterization of Si-111 monochromators using double-grating interferometry.

A study of the coherence and wavefront properties of a pseudo-channel-cut monochromator in comparison with a double-crystal monochromator is presented. Using a double-grating interferometer designed for the hard X-ray regime, the complex coherence factor was measured and the wavefront distortions at the sample position were analyzed. A transverse coherence length was found in the vertical direction that was a factor of two larger for the channel-cut monochromator owing to its higher mechanical stability. The wavefront distortions after different optical elements in the beam, such as monochromators and mirrors, were also quantified. This work is particularly relevant for coherent diffraction imaging experiments with synchrotron sources.

Structural investigations of core-shell nanowires using grazing incidence X-ray diffraction.

The fabrication of core-shell structures is crucial for many nanowire device concepts. For the proper tailoring of their electronic properties, control of structural parameters such as shape, size, diameter of core and shell, their chemical composition, and information on their strain fields is mandatory. Using synchrotron X-ray diffraction studies and finite element simulations, we determined the chemical composition, dimensions, and strain distribution for series of InAs/InAsP core-shell wires grown on Si(111) with systematically varied growth parameters. In particular we detect initiation of plastic relaxation of these structures with increasing shell thickness and/or increasing phosphorus content. We establish a phase diagram, defining the region of parameters leading to pseudomorphic nanowire growth. This is important to avoid extended defects which are detrimental for their electronic properties.

Topological quantum phase transition from mirror to time reversal symmetry protected topological insulator.

Topological insulators constitute a new phase of matter protected by symmetries. Time-reversal symmetry protects strong topological insulators of the Z2 class, which possess an odd number of metallic surface states with dispersion of a Dirac cone. Topological crystalline insulators are merely protected by individual crystal symmetries and exist for an even number of Dirac cones. Here, we demonstrate that Bi-doping of Pb1-x Sn x Se (111) epilayers induces a quantum phase transition from a topological crystalline insulator to a Z2 topological insulator. This occurs because Bi-doping lifts the fourfold valley degeneracy and induces a gap at [Formula: see text], while the three Dirac cones at the [Formula: see text] points of the surface Brillouin zone remain intact. We interpret this new phase transition as caused by a lattice distortion. Our findings extend the topological phase diagram enormously and make strong topological insulators switchable by distortions or electric fields.Transitions between topological phases of matter protected by different symmetries remain rare. Here, Mandal et al. report a quantum phase transition from a topological crystalline insulator to a Z2 topological insulator by doping Bi into Pb1-x Sn x Se (111) thin films.

Giant Rashba Splitting in Pb1-x Snx Te (111) Topological Crystalline Insulator Films Controlled by Bi Doping in the Bulk.

The topological properties of lead-tin chalcogenide topological crystalline insulators can be widely tuned by temperature and composition. It is shown that bulk Bi doping of epitaxial Pb1-x Snx Te (111) films induces a giant Rashba splitting at the surface that can be tuned by the doping level. Tight binding calculations identify their origin as Fermi level pinning by trap states at the surface.

Spectroscopic and theoretical study of Cu(II), Zn(II), Ni(II), Co(II) and Cd(II) complexes of glyoxilic acid oxime.

The paper presents a detailed experimental and theoretical study of five metal complexes of glyoxilic acid oxime (gaoH2), Cu(gaoH)2(H2O)2 (1), Zn(gaoH)2(H2O)2 (2), Co(gaoH)2(H2O)2 (3), Ni(gaoH)2(H2O)2 (4) and [Cd(gaoH)2(H2O)2].H2O (5). The electronic and vibrational spectra were measured and discussed as to the most sensitive to the M-L binding bands. Two different types of coordination were considered for gaoH- ligand: bidentate through the carboxylic oxygen and oxime nitrogen in 1-4 and mixed bidentate and bridging through the COO group in 5. It is shown that the spectral behavior of the nu(COO) modes can be used to predict bridging ligand coordination. DFT(B3LYP/6-31++G(d,p)) calculations on model compounds: neutral, anionic and radical forms of gao and Cu(gaoH)2, have been carried out to correlate geometries, electronic and vibrational structures. The results obtained were used to assist the electronic and vibrational analysis of the complexes studied. The effect of the metal-ligand interactions (electrostatic and covalent) on the geometry structure of the ligand was investigated.

Ferroelectric phase transition in multiferroic Ge1-x Mn x Te driven by local lattice distortions.

The evolution of local ferroelectric lattice distortions in multiferroic Ge1-x Mn x Te is studied by x-ray diffraction, x-ray absorption spectroscopy and density functional theory. We show that the anion/cation displacements smoothly decrease with increasing Mn content, thereby reducing the ferroelectric transition from 700 to 100 K at x = 0.5, where the ferromagnetic Curie temperature reaches its maximum. First principles calculations explain this quenching by different local bond contributions of the Mn 3d shell compared to the Ge 4s shell in excellent quantitative agreement with the experiments.

Negligible surface reactivity of topological insulators Bi2Se3 and Bi2Te3 towards oxygen and water.

The long-term stability of functional properties of topological insulator materials is crucial for the operation of future topological insulator based devices. Water and oxygen have been reported to be the main sources of surface deterioration by chemical reactions. In the present work, we investigate the behavior of the topological surface states on Bi2X3 (X = Se, Te) by valence-band and core level photoemission in a wide range of water and oxygen pressures both in situ (from 10(-8) to 0.1 mbar) and ex situ (at 1 bar). We find that no chemical reactions occur in pure oxygen and in pure water. Water itself does not chemically react with both Bi2Se3 and Bi2Te3 surfaces and only leads to slight p-doping. In dry air, the oxidation of the Bi2Te3 surface occurs on the time scale of months, in the case of Bi2Se3 surface of cleaved crystal, not even on the time scale of years. The presence of water, however, promotes the oxidation in air, and we suggest the underlying reactions supported by density functional calculations. All in all, the surface reactivity is found to be negligible, which allows expanding the acceptable ranges of conditions for preparation, handling and operation of future Bi2X3-based devices.

Three-dimensional Si/Ge quantum dot crystals.

Modern nanotechnology offers routes to create new artificial materials, widening the functionality of devices in physics, chemistry, and biology. Templated self-organization has been recognized as a possible route to achieve exact positioning of quantum dots to create quantum dot arrays, molecules, and crystals. Here we employ extreme ultraviolet interference lithography (EUV-IL) at a wavelength of lambda = 13.5 nm for fast, large-area exposure of templates with perfect periodicity. Si(001) substrates have been patterned with two-dimensional hole arrays using EUV-IL and reactive ion etching. On these substrates, three-dimensionally ordered SiGe quantum dot crystals with the so far smallest quantum dot sizes and periods both in lateral and vertical directions have been grown by molecular beam epitaxy. X-ray diffractometry from a sample volume corresponding to about 3.6 x 10(7) dots and atomic force microscopy (AFM) reveal an up to now unmatched structural perfection of the quantum dot crystal and a narrow quantum dot size distribution. Intense interband photoluminescence has been observed up to room temperature, indicating a low defect density in the three-dimensional (3D) SiGe quantum dot crystals. Using the Ge concentration and dot shapes determined by X-ray and AFM measurements as input parameters for 3D band structure calculations, an excellent quantitative agreement between measured and calculated PL energies is obtained. The calculations show that the band structure of the 3D ordered quantum dot crystal is significantly modified by the artificial periodicity. A calculation of the variation of the eigenenergies based on the statistical variation in the dot dimensions as determined experimentally (+/-10% in linear dimensions) shows that the calculated electronic coupling between neighboring dots is not destroyed due to the quantum dot size variations. Thus, not only from a structural point of view but also with respect to the band structure, the 3D ordered quantum dots can be regarded as artificial crystal.