Unambiguous Fluctuation Decomposition of the Self-Energy: Pseudogap Physics beyond Spin Fluctuations.

Correlated electron systems may give rise to multiple effective interactions whose combined impact on quasiparticle properties can be difficult to disentangle. We introduce an unambiguous decomposition of the electronic self-energy which allows us to quantify the contributions of various effective interactions simultaneously. We use this tool to revisit the hole-doped Hubbard model within the dynamical cluster approximation, where commonly spin fluctuations are considered to be the origin of the pseudogap. While our fluctuation decomposition confirms that spin fluctuations indeed suppress antinodal electronic spectral weight, we show that they alone cannot capture the pseudogap self-energy quantitatively. Nonlocal multiboson Feynman diagrams yield substantial contributions and are needed for a quantitative description of the pseudogap.

Transition from Diffusive to Superdiffusive Transport in Carbon Nanotube Networks via Nematic Order Control.

The one-dimensional confinement of quasiparticles in individual carbon nanotubes (CNTs) leads to extremely anisotropic electronic and optical properties. In a macroscopic ensemble of randomly oriented CNTs, this anisotropy disappears together with other properties that make them attractive for certain device applications. The question however remains if not only anisotropy but also other types of behaviors are suppressed by disorder. Here, we compare the dynamics of quasiparticles under strong electric fields in aligned and random CNT networks using a combination of terahertz emission and photocurrent experiments and out-of-equilibrium numerical simulations. We find that the degree of alignment strongly influences the excited quasiparticles' dynamics, rerouting the thermalization pathways. This is, in particular, evidenced in the high-energy, high-momentum electronic population (probed through the formation of low energy excitons via exciton impact ionization) and the transport regime evolving from diffusive to superdiffusive.

Optimizing Superconductivity: From Cuprates via Nickelates to Palladates.

Motivated by cuprate and nickelate superconductors, we perform a comprehensive study of the superconducting instability in the single-band Hubbard model. We calculate the spectrum and superconducting transition temperature T_{c} as a function of filling and Coulomb interaction for a range of hopping parameters, using the dynamical vertex approximation. We find the sweet spot for high T_{c} to be at intermediate coupling, moderate Fermi surface warping, and low hole doping. Combining these results with first principles calculations, neither nickelates nor cuprates are close to this optimum within the single-band description. Instead, we identify some palladates, notably RbSr_{2}PdO_{3} and A_{2}^{'}PdO_{2}Cl_{2} (A^{'}=Ba_{0.5}La_{0.5}), to be virtually optimal, while others, such as NdPdO_{2}, are too weakly correlated.

Zero Field Splitting of Heavy-Hole States in Quantum Dots.

Using inelastic cotunneling spectroscopy we observe a zero field splitting within the spin triplet manifold of Ge hut wire quantum dots. The states with spin ±1 in the confinement direction are energetically favored by up to 55 µeV compared to the spin 0 triplet state because of the strong spin-orbit coupling. The reported effect should be observable in a broad class of strongly confined hole quantum-dot systems and might need to be considered when operating hole spin qubits.

Terahertz Excitonics in Carbon Nanotubes: Exciton Autoionization and Multiplication.

Excitons play major roles in optical processes in modern semiconductors, such as single-wall carbon nanotubes (CNTs), transition metal dichalcogenides, and 2D perovskite quantum wells. They possess extremely large binding energies (>100 meV), dominating absorption and emission spectra even at high temperatures. The large binding energies imply that they are stable, that is, hard to ionize, rendering them seemingly unsuited for optoelectronic devices that require mobile charge carriers, especially terahertz emitters and solar cells. Here, we have conducted terahertz emission and photocurrent studies on films of aligned single-chirality semiconducting CNTs and find that excitons autoionize, i.e., spontaneously dissociate into electrons and holes. This process naturally occurs ultrafast (<1 ps) while conserving energy and momentum. The created carriers can then be accelerated to emit a burst of terahertz radiation when a dc bias is applied, with promising efficiency in comparison to standard GaAs-based emitters. Furthermore, at high bias, the accelerated carriers acquire high enough kinetic energy to create secondary excitons through impact exciton generation, again in a fully energy and momentum conserving fashion. This exciton multiplication process leads to a nonlinear photocurrent increase as a function of bias. Our theoretical simulations based on nonequilibrium Boltzmann transport equations, taking into account all possible scattering pathways and a realistic band structure, reproduce all of our experimental data semiquantitatively. These results not only elucidate the momentum-dependent ultrafast dynamics of excitons and carriers in CNTs but also suggest promising routes toward terahertz excitonics despite the orders-of-magnitude mismatch between the exciton binding energies and the terahertz photon energies.

Topotactic Hydrogen in Nickelate Superconductors and Akin Infinite-Layer Oxides ABO_{2}.

Superconducting nickelates appear to be difficult to synthesize. Since the chemical reduction of ABO_{3} [rare earth (A), transition metal (B)] with CaH_{2} may result in both ABO_{2} and ABO_{2}H, we calculate the topotactic H binding energy by density functional theory (DFT). We find intercalating H to be energetically favorable for LaNiO_{2} but not for Sr-doped NdNiO_{2}. This has dramatic consequences for the electronic structure as determined by DFT+dynamical mean field theory: that of 3d^{9} LaNiO_{2} is similar to (doped) cuprates, 3d^{8} LaNiO_{2}H is a two-orbital Mott insulator. Topotactic H might hence explain why some nickelates are superconducting and others are not.

Quantum Anomalous Hall State in Ferromagnetic SrRuO_{3} (111) Bilayers.

SrRuO_{3} heterostructures grown in the (111) direction are a rare example of thin film ferromagnets. By means of density functional theory plus dynamical mean field theory we show that the half-metallic ferromagnetic state with an ordered magnetic moment of 2 µ_{B}/Ru survives the ultimate dimensional confinement down to a bilayer, even at elevated temperatures of 500 K. In the minority channel, the spin-orbit coupling opens a gap at the linear band crossing corresponding to 3/4 filling of the t_{2g} shell. We predict that the emergent phase is Haldane's quantum anomalous Hall state with Chern number C=1, without an external magnetic field or magnetic impurities.

Anisotropic two-dimensional electron gas at SrTiO3(110).

Two-dimensional electron gases (2DEGs) at oxide heterostructures are attracting considerable attention, as these might one day substitute conventional semiconductors at least for some functionalities. Here we present a minimal setup for such a 2DEG--the SrTiO3(110)-(4 × 1) surface, natively terminated with one monolayer of tetrahedrally coordinated titania. Oxygen vacancies induced by synchrotron radiation migrate underneath this overlayer; this leads to a confining potential and electron doping such that a 2DEG develops. Our angle-resolved photoemission spectroscopy and theoretical results show that confinement along (110) is strikingly different from the (001) crystal orientation. In particular, the quantized subbands show a surprising "semiheavy" band, in contrast with the analog in the bulk, and a high electronic anisotropy. This anisotropy and even the effective mass of the (110) 2DEG is tunable by doping, offering a high flexibility to engineer the properties of this system.

Electronics with Correlated Oxides: SrVO(3)/SrTiO(3) as a Mott Transistor.

We employ density functional theory plus dynamical mean field theory and identify the physical origin of why two layers of SrVO(3) on a SrTiO(3) substrate are insulating: the thin film geometry lifts the orbital degeneracy, which in turn triggers a first-order Mott-Hubbard transition. Two layers of SrVO(3) are just at the verge of a Mott-Hubbard transition and hence ideally suited for technological applications of the Mott-Hubbard transition: the heterostructure is highly sensitive to strain, electric field, and temperature. A gate voltage can also switch between metal (ON) and insulator (OFF), so that a transistor with ideal ON-OFF switching properties is realized.

Unconventional superconductivity without doping in infinite-layer nickelates under pressure.

High-temperature unconventional superconductivity quite generically emerges from doping a strongly correlated parent compound, often (close to) an antiferromagnetic insulator. The recently developed dynamical vertex approximation is a state-of-the-art technique that has quantitatively predicted the superconducting dome of nickelates. Here, we apply it to study the effect of pressure in the infinite-layer nickelate SrxPr1-xNiO2. We reproduce the increase of the critical temperature (Tc) under pressure found in experiment up to 12 GPa. According to our results, Tc can be further increased with higher pressures. Even without Sr-doping the parent compound, PrNiO2, will become a high-temperature superconductor thanks to a strongly enhanced self-doping of the Ni d x 2 - y 2 orbital under pressure. With a maximal Tc of 100 K around 100 GPa, nickelate superconductors can reach that of the best cuprates.

Oxide heterostructures for efficient solar cells.

We propose an unexplored class of absorbing materials for high-efficiency solar cells: heterostructures of transition-metal oxides. In particular, LaVO(3) grown on SrTiO(3) has a direct band gap ∼1.1 eV in the optimal range as well as an internal potential gradient, which can greatly help to separate the photogenerated electron-hole pairs. Furthermore, oxide heterostructures afford the flexibility to combine LaVO(3) with other materials such as LaFeO(3) in order to achieve even higher efficiencies with band-gap graded solar cells. We use density-functional theory to demonstrate these features.

Pb10-xCux(PO4)6O: a Mott or charge transfer insulator in need of further doping for (super)conductivity.

We briefly review the status quo of research on the putative superconductor Pb9Cu(PO4)6O also known as LK-99. Further, we provideab initioderived tight-binding parameters for a two- and five-band model, and solve these in dynamical-mean-field theory. The interaction-to-bandwidth ratio makes LK-99 a Mott or charge transfer insulator. Electron or hole doping (which is different from substituting Pb by Cu and thus differs from LK-99) is required to make it metallic and potentially superconducting.

Defect-Engineered Dzyaloshinskii-Moriya Interaction and Electric-Field-Switchable Topological Spin Texture in SrRuO3.

In situ electrical control of the Dzyaloshinskii-Moriya interaction (DMI) is one of the central but challenging goals toward skyrmion-based device applications. An atomic design of defective interfaces in spin-orbit-coupled transition-metal oxides can be an appealing strategy to achieve this goal. In this work, by utilizing the distinct formation energies and diffusion barriers of oxygen vacancies at SrRuO3 /SrTiO3 (001), a sharp interface is constructed between oxygen-deficient and stoichiometric SrRuO3 . This interfacial inversion-symmetry breaking leads to a sizable DMI, which can induce skyrmionic magnetic bubbles and the topological Hall effect in a more than 10 unit-cell-thick SrRuO3 . This topological spin texture can be reversibly manipulated through the migration of oxygen vacancies under electric gating. In particular, the topological Hall signal can be deterministically switched ON and OFF. This result implies that the defect-engineered topological spin textures may offer an alternate perspective for future skyrmion-based memristor and synaptic devices.

Real-space mapping of electronic orbitals.

Electronic states are responsible for most material properties, including chemical bonds, electrical and thermal conductivity, as well as optical and magnetic properties. Experimentally, however, they remain mostly elusive. Here, we report the real-space mapping of selected transitions between p and d states on the Ångström scale in bulk rutile (TiO2) using electron energy-loss spectrometry (EELS), revealing information on individual bonds between atoms. On the one hand, this enables the experimental verification of theoretical predictions about electronic states. On the other hand, it paves the way for directly investigating electronic states under conditions that are at the limit of the current capabilities of numerical simulations such as, e.g., the electronic states at defects, interfaces, and quantum dots.

Intra-age, intercenter, and intercycle differences in chromosome abnormalities in oocytes.

OBJECTIVE: To determine the extent of intra-age and intercycle variations in the frequency of first polar body aneuploidy in two consecutive cycles of oocyte retrieval undertaken by the same patient within 1 year. DESIGN: Retrospective study. SETTING: Fertility centers. PATIENT(S): Infertile couples undergoing IVF. INTERVENTION(S): Patients underwent two consecutive cycles of preimplantation genetic screening through first polar body biopsy within 1 year. MAIN OUTCOME MEASURE(S): Meiosis I aneuploidy. RESULT(S): A total of 226 patients underwent 452 cycles of preimplantation genetic screening. Differences within age groups were wide, with 0-100% of oocytes being chromosomally normal in all age groups. Euploidy rates between centers were significantly different (48% vs. 25%). Intercycle differences for the same patient were also wide (0-100%), but with 68.5% of patients having less than ±2 euploid eggs of difference between cycles. CONCLUSION(S): Although euploidy rate decreased on average with advancing maternal age, the high intra-age and intercenter variation in oocyte chromosome abnormalities emphasize the difficulty in estimating how many euploid oocytes a specific woman will have. This may have repercussions for fertility preservation where a defined number of eggs are currently frozen just based on maternal age.

Deletions in PITX1 cause a spectrum of lower-limb malformations including mirror-image polydactyly.

PITX1 is a bicoid-related homeodomain transcription factor implicated in vertebrate hindlimb development. Recently, mutations in PITX1 have been associated with autosomal-dominant clubfoot. In addition, one affected individual showed a polydactyly and right-sided tibial hemimelia. We now report on PITX1 deletions in two fetuses with a high-degree polydactyly, that is, mirror-image polydactyly. Analysis of DNA from additional individuals with isolated lower-limb malformations and higher-degree polydactyly identified a third individual with long-bone deficiency and preaxial polydactyly harboring a heterozygous 35 bp deletion in PITX1. The findings demonstrate that mutations in PITX1 can cause a broad spectrum of isolated lower-limb malformations including clubfoot, deficiency of long bones, and mirror-image polydactyly.

Dephasing times in closed quantum dots.

Dephasing of one-particle states in closed quantum dots is analyzed within the framework of random matrix theory and the master equation. The combination of this analysis with recent experiments on the magnetoconductance allows, for the first time, the evaluation of the dephasing times of closed quantum dots. These dephasing times turn out to be dependent on the mean level spacing and significantly enhanced as compared with the case of open dots. Moreover, the experimental data available are consistent with the prediction that the dephasing of one-particle states in finite closed systems disappears at low enough energies and temperatures.

Amniotic fluid and maternal blood characteristics in severe mid-trimester twin-twin transfusion syndrome.

OBJECTIVE: To investigate the concentrations of metabolic variables in the amniotic fluid of the recipient twin and maternal blood and to correlate them with clinical features, which are characteristic for the course of pregnancies with twin-twin transfusion syndrome (TTS). MATERIALS AND METHODS: In 109 pregnancies with severe mid-trimester TTS, we measured the concentrations of interleukin-6 (IL-6), alpha-fetoprotein (AFP), sodium, potassium, total protein, beta2-microglobulin and osmolality in the amniotic fluid of the recipient twin prior to laser coagulation of the vascular anastomoses and compared them to a control group of 92 singleton pregnancies. We measured the pulsatility index (PI) of ductus venosus flow velocity waveforms in the recipient twin and performed a retrospective chart analysis for complete maternal blood count before and after the procedure. RESULTS: All variables, except osmolality, IL-6 and AFP were significantly lower in the TTS group. There was a significant positive correlation between PI in the ductus venosus and the amniotic fluid AFP concentrations (r = 0.355; p < 0.001). There was a significant fall in complete maternal blood count after laser therapy (p < 0.001) and a significant correlation between the amount of amniotic fluid drained and the fall of maternal Hb (r = -0.261; p = 0.03) and hematocrit (r = -0.212; p = 0.01). CONCLUSION: Pathophysiologic changes in TTS do not only occur at the inter-twin level of placental vascular anastomoses but also at the materno-fetal level of fluid exchanges. AFP is correlated to the severity of congestive heart failure of the recipient twin.

Human mesenchymal stem cells are not of donor origin in patients with severe aplastic anemia who underwent sex-mismatched allogeneic bone marrow transplant.

Stromal defects are part of the etiology of severe aplastic anemia (SAA), and hematopoietic engraftment is poor in unrelated and mismatched transplant. Therefore, we wanted to find out whether human mesenchymal stem cells (MSC) are partly of donor origin in patients with SAA years after successful bone marrow transplant (BMT). Three SAA patients 3, 5, and 8 years after BMT (cyclophosphamide, ATG) with bone marrow from an HLA-identical sibling donor of the opposite sex were investigated. MSC were grown from patients' bone marrow aspirates according to Caplan et al. The number of MSC that were isolated from SAA bone marrow post transplant was about 10 times lower than in normal controls. Primary cultures of adherent MSC and passage-one cells were analyzed by dual-color interphase fluorescence in situ hybridization (FISH) analysis using centromere-specific DNA probes for X and Y chromosome. FISH did not show any clear evidence of donor cells in the adherent MSC: In all cases, less than 0.5% of nuclei showed a donor-type signal pattern that is well within assay limits. In a female patient, the absence of male donor cells was confirmed by sensitive and quantitative, Y chromosome-specific TaqMan PCR (QYCS-PCR). In contrast, Ficoll-separated hematopoietic cells from the same aspirates were greater than 90% of donor origin, as expected. In SAA, as previously found in patients with lysosomal and peroxisomal storage disease, bone marrow MSC remain host-derived despite successful hematopoietic engraftment years after allogeneic BMT.