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The synthesis, formation mechanism, crystal structure, and transport properties of the bismuth chalcohalide Bi 13 S 17 Br 3 are reported.
A new 0D metal halide (TEP)InBr 4 is reported. Structural and electronic properties were studied. The fabricated X-ray detector using a (TEP)InBr 4 single crystal showed a detection sensitivity of 569.85 μC Gy −1 cm −2 atE= 100 V mm −1 .
We report on the anisotropic optical properties of single-crystal tin monosulfide (SnS). The components ε{sub a}, ε{sub b}, and ε{sub c} of the pseudodielectric-function tensor (ε)=(ε₁)+i(ε₂) spectra are taken from 0.73 to 6.45 eV by spectroscopic ellipsometry. The measured (ε) spectra are in a good agreement with the results of the calculated dielectric response from hybrid density functional theory. The (ε) spectra show the direct band-gap onset and a total of eight above-band-gap optical structures that are associated with the interband-transition critical points (CPs). We obtain accurate CP energies by fitting analytic CP expressions to second-energy-derivatives of the (ε) data. Their probable electronic origins and implications for photovoltaic applications are discussed.
Non-polar orientations of III-nitride semiconductors have attracted significant interest due to their potential application in optoelectronic devices with enhanced efficiency. Using in-situ surface x-ray scattering during metal-organic vapor phase epitaxy (MOVPE) of GaN on non-polar (m-plane) and polar (c-plane) orientations of single crystal substrates, we have observed the homoepitaxial growth modes as a function of temperature and growth rate. On the m-plane surface we observe all three growth modes (step-flow, layer-by-layer, and three-dimensional) as conditions are varied. In contrast, the +c-plane surface exhibits a direct cross over between step-flow and 3-D growth, with no layer-by-layer regime. The apparent activation energy of 2.8 ± 0.2 eV observed for the growth rate at the layer-by-layer to step-flow boundary on the m-plane surface is consistent with those observed for MOVPE growth of other III-V compounds, indicating a large critical nucleus size for islands.
DC electrical conductivity, Seebeck and Hall coefficients are measured between 300 and 450 K on single crystals of monoclinic bismuth vanadate that are doped n-type with 0.3% tungsten donors (W:BiVO{sub 4}). Strongly activated small-polaron hopping is implied by the activation energies of the Arrhenius conductivities (about 300 meV) greatly exceeding the energies characterizing the falls of the Seebeck coefficients' magnitudes with increasing temperature (about 50 meV). Small-polaron hopping is further evidenced by the measured Hall mobility in the ab-plane (10{sup −1 }cm{sup 2 }V{sup −1 }s{sup −1} at 300 K) being larger and much less strongly activated than the deduced drift mobility (about 5 × 10{sup −5 }cm{sup 2 }V{sup −1 }s{sup −1} at 300 K). The conductivity and n-type Seebeck coefficient is found to be anisotropic with the conductivity larger and the Seebeck coefficient's magnitude smaller and less temperature dependent for motion within the ab-plane than that in the c-direction. These anisotropies are addressed by considering highly anisotropic next-nearest-neighbor (≈5 Å) transfers in addition to the somewhat shorter (≈4 Å), nearly isotropic nearest-neighbor transfers.
A radiopure cadmium tungstate crystal scintillator, enriched in {sup 106}Cd ({sup 106}CdWO{sub 4}), was used to search for double beta decay processes in {sup 106}Cd in coincidence with an ultra-low background set-up containing four high purity germanium (HPGe) detectors in a single cryostat. The experiment has been completed after 13085 h of data taking. New improved limits on most of the double beta processes in {sup 106}Cd have been set on the level of 10{sup 20}−10{sup 21} yr. Tn particular, the half-life limit on the two neutrino electron capture with positron emission, T{sub 1/2} ≥ 1.8 × 10{sup 21} yr, reached the region of theoretical predictions.
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Because of its excellent opto-electronic properties, CdZnTe (CZT) has been the material of choice for x- and gamma-ray detectors operable at room temperature. CZT is the leading commercially available room-temperature radiation detector material today. Although much progress has been made over the past three decades, today's CZT crystals still face certain challenges, especially the presence of the performance-limiting materials defects and the associated relatively high production cost. In this regard, CdxZn1−xTeySe1−y (CZTS) is emerging as a next-generation compound semiconductor, which overcomes some of the limitations of CZT technology for the stated applications. Here, we conducted a study to evaluate the crystalline quality of the traveling heater method grown CZTS with an optimized alloy composition, i.e., Cd0.9Zn0.1Te0.98Se0.02. The as-grown samples were evaluated by low-temperature photoluminescence (PL) spectroscopy and high-resolution x-ray diffraction using the synchrotron light source at Brookhaven National Laboratory. The full width at half maximum of both the PL and x-ray rocking curves was observed to be broadened due to the lattice disorder of the quaternary compound, eventually degrading the crystalline quality. This was consistent with density functional theory calculations.
Significance Phytochromes are well-known far-red-light sensors found in plants that trigger adaptive responses to facilitate competition for light capture with neighboring plants. Red- and far-red sensing are also critical for cyanobacteria living in the far-red–enriched shade of plants. This work reports the crystal structure of a far-red–sensing cyanobacteriochrome, a distant cyanobacterial relative of phytochrome. These studies shed insights into the molecular basis of far-red-sensing by phycobilin-based photoreceptors. Owing to the deep tissue penetration of far-red light, far-red–sensing cyanobacteriochromes are promising protein scaffolds for developing genetically encoded photoswitches, optoacoustic contrast agents, and fluorescent probes for in situ imaging and optogenetic applications.
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We present a study of the upper critical field H-c2 of pristine and proton-irradiated RbEuFe4As4 crystals in pulsed magnetic fields of up to 65 T. The data for H-c2 reveal pronounced downwards curvature, particularly for the in-plane field orientation, and a superconducting anisotropy that decreases with decreasing temperature. These features are indicative of Pauli paramagnetic limiting. For the interpretation of these data, we use a model of a clean single-band superconductor with an open Fermi surface in the shape of a warped cylinder, which takes into account Zeeman spin splitting. Fits to the data reveal that the in-plane upper critical field is Pauli paramagnetic limited, while the out-of-plane upper critical field is orbitally limited and that the orbital and paramagnetic fields have opposite anisotropies. A consequence of this particular combination is the unusual inversion of the anisotropy H-c2(ab) < H-c2(c) of the irradiated sample at temperatures below 10 K. The fits also yield an in-plane Maki parameter alpha(110)(M) approximate to 2.6 exceeding the critical value for the formation of the Fulde-Ferrell-Larkin-Ovchinnikov state. Nevertheless, the current measurements did not reveal direct evidence for the occurrence of this state.
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Here, we find a 5 eV satellite in the Ti1s photoelectron spectrum of the transition-metal oxide SrTiO 3 . This satellite appears in addition to the well-studied 13 eV structure that is typically associated with the Ti2p core line. We give direct experimental evidence that the presence of two satellites is due to the crystal-field splitting of the metal 3d orbitals. They originate from ligand 2pt 2 g → metal3dt 2 g and ligand 2pe g → metal 3de g monopole charge-transfer excitations within the sudden approximation of quantum mechanics. This assignment is made by the energetics of the resonant and high-energy threshold behaviors of the TiK–L 2 L 3 Auger decay that follows Ti1s photoionization.
Solid-solutions of the "soft" quantum spin ice pyrochlore magnets Tb 2 B 2 O 7 with B=Ti and Sn display a novel magnetic ground state in the presence of strong B-site disorder, characterized by a low susceptibility and strong spin fluctuations to temperatures below 0.1 K. These materials have been studied using ac-susceptibility and muSR techniques to very low temperatures, and time-of-flight inelastic neutron scattering techniques to 1.5 K. Remarkably, neutron spectroscopy of the Tb 3+ crystal field levels appropriate to at high B-site mixing (0.5 < x < 1.5 in Tb 2 Sn 2-x Ti x O 7 ) reveal that the doublet ground and first excited states present as continua in energy, while transitions to singlet excited states at higher energies simply interpolate between those of the end members of the solid solution. The resulting ground state suggests an extreme version of a random-anisotropy magnet, with many local moments and anisotropies, depending on the precise local configuration of the six B sites neighboring each magnetic Tb 3+ ion.
The equilibrium structure and functional properties exhibited by brownmillerite oxides, a family of perovskitederived structures with alternating layers of BO6 octahedra and BO4 tetrahedra, viz., ordered arrangements of oxygen vacancies, is dependent on a variety of competing crystal-chemistry factors. We use electronic structure calculations to disentangle the complex interactions in two ferrates, Sr2Fe2O5 and Ca2Fe2O5, relating the stability of the equilibrium (strain-free) and thin film structures to both previously identified and herein newly proposed descriptors.We show that cation size and intralayer separation of the tetrahedral chains provide key contributions to the preferred ground state. We show the bulk ground-state structure is retained in the ferrates over a range of strain values; however, a change in the orientation of the tetrahedral chains, i.e., a perpendicular orientation of the vacancies relative to the substrate, is stabilized in the compressive region. The structure stability under strain is largely governed by maximizing the intraplane separation of the dipoles generated from rotations of the FeO4 tetrahedra. Lastly, we find that the electronic band gap is strongly influenced by strain, manifesting as an unanticipated asymmetric-vacancy alignment dependent response. This atomistic understanding establishes a practical route for the design of functional electronic materials in thin film geometries.
We investigate the electronic specific heat of superoptimally substituted BaFe 2 (As 1-x P x ) 2 single crystals in the superconducting state using high-resolution nanocalorimetry. From the measurements, we extract the substitution dependence of the condensation energy, superconducting gap Δ, and related microscopic parameters. We find that the anomalous scaling of the specific heat jump ΔC ∝ to T$3\atop{c}$ , found in many iron-based superconductors, in this system originates from a T c -dependent ratio Delta/k B T c in combination with a substitution-dependent density of states N(epsilon(F)). A clear enhancement is seen in the effective mass m* as the composition approaches the value that has been associated with a quantum critical point at optimum substitution. However, a simultaneous increase in the superconducting carrier concentration n s yields a penetration depth lambda that decreases with increasing T c without sharp divergence at the quantum critical point. Uemura scaling indicates that T c is governed by the Fermi temperature T F for this multiband system.