Search

The doping influenced carrier dynamics to maneuvering n-type to p-type semiconducting gold cluster assembly have been assessed. The resonance photoemission spectroscopic measurements corroborate an incremental rise in the density of states at the valence edge, the overlap of valence states due to doping, and the presence of distinct spin–orbit splitting and coupling in manganese-doping (Au7Mn) compared to gold clusters (Au8), originating from the relativistic effect resulted in a semiconducting property. The work function dependent current–voltage characteristics in metal–semiconductor configuration show Ohmic and Schottky behaviors assorting p-type carriers in Au7Mn in contrast to the n-type Au8 and are presenting an atomic cluster based fast electronic device. [ABSTRACT FROM AUTHOR]

The effects of Co doping on the structural and magnetic properties of a frustrated layered rare earth based synthetic analog of mineral francisite [Cu3La(SeO3)2O2Cl;(LaCufr)] have been investigated experimentally with a prior theoretical input. We have estimated intra-layer and inter-layer exchange interactions from density functional theory, which reveals the strong antiferromagnetic (AFM) nature of the studied compounds. 10 at. % Co-doped CuLafr confirms incorporation of Co2+ at the Cu2+ site with the local environment around dopant Co nearly similar around that of host Cu. An observed field-induced meta-magnetic transition and a spin reorientation transition have been interpreted considering magnetic exchange interactions. Co-doped LaCufr exhibits a decrease in the AFM ordering temperature and the critical field corresponding to a meta-magnetic spin-flip type transition. The competition and modulation among different intra-layer exchange interactions upon incorporation of Co into the Cu site may lead to such situations. The evidence of spin–phonon coupling from Raman analysis in both compounds is noteworthy and enriches their magnetic properties. [ABSTRACT FROM AUTHOR]

Ba (Fe 1 / 2 Nb 1 / 2) O 3 ceramics are considered to be promising for technological applications owing to their high dielectric constant over a wide range of temperatures. However, there exists considerable discrepancy over the structural details. We address this discrepancy through a combined x-ray diffraction at room temperature and neutron powder diffraction measurements in the range from 5 K up to room temperature, supplemented by a comparative analysis of the earlier reported structures. Our study reveals a cubic structure with space group P m 3 ¯ m at all measured temperatures. Further, the x-ray near edge structure and extended x-ray absorption fine structure studies on the local environment of the Fe ions is consistent with the cubic symmetry. An appropriate value of U for DFT+ U calculations is obtained by comparison with x-ray absorption spectroscopy, which agrees well with the earlier reported electronic properties. [ABSTRACT FROM AUTHOR]

We report on the large-area and high-quality growth of single- to few-monolayer thick MoS2 thin films on oxidized Si (100) substrates via the pulsed laser deposition method. Our Raman, x-ray photoelectron spectroscopic, and FE-SEM measurements confirmed that atomically thin MoS2 layers are highly uniform and are stoichiometric. We found a type-I band alignment at the MoS2/SiO2 heterointerfaces through photoemission spectroscopic valence-band measurements. The valence- and conduction band offset (VBO and CBO) at the 1L MoS2/SiO2 interface was observed to be 3.91 and 2.96 ± 0.05 eV, respectively. The values of VBO and CBO increase up to 4.15 and 3.56 ± 0.05 eV, respectively, with an increase in the MoS2 layer number. This observation can be attributed to the shift of the Mo-4dz2 orbitals due to interlayer coupling for thicker MoS2 films, reducing its bandgap, resulting in an increment in VBO and CBO values. [ABSTRACT FROM AUTHOR]

Detailed structural and optical properties of α-(AlxCr1−x)2O3 (0 ≤ x ≤ 1) synthesized by the solid state reaction method have been investigated. Single phase α-(AlxCr1−x)2O3 with space group R 3 ¯ c is obtained for the full composition range of 0 ≤ x ≤ 1. Variations in the lattice parameters a and c have been determined. Lattice parameter c follows Vegard's law, while the lattice parameter a shows a clear deviation with a bowing parameter of −0.035 Å. This behavior of the lattice parameters of α-(AlxCr1−x)2O3 with x is explained in detail by studying the local structure. Extended x-ray absorption fine structure spectroscopy shows a reduction in the values of Cr–O bond lengths with composition x. Optical absorption measurements of α-(Al1−xCrx)2O3 for 0 ≤ x ≤ 1 show a large bandgap tunability of 1.9 eV (from 3.4 eV to 5.3 eV). The photoemission spectroscopy data and the analysis of partial density of states obtained from first principles electronic structure calculations suggest that the valence band maxima is mainly composed of Cr 3d levels, which hybridize with the O 2p levels. Increased contribution of O 2p partial density of states is observed with Al substitution, which is expected to enhance p-type carrier conduction in the α-(AlxCr1−x)2O3 system as compared to the parent α-Cr2O3 system. Thus, the large bandgap, its tunability in the UV region, and the predicted enhancement of p-type conductivity in the α-(AlxCr1−x)2O3 system make it a potential candidate for application in UV based photo-detectors and transparent electronics. [ABSTRACT FROM AUTHOR]

We present the results of resonant photoemission spectroscopy experiments on Mo 1 − x Re x alloy compositions spanning over two electronic topological transitions (ETTs) at critical concentrations x C 1 = 0.05 and x C 2 = 0.11. Photoelectrons show an additional resonance (R 3) in constant initial state spectra of alloys along with two resonances (R 1 and R 2), which are similar to those observed in molybdenum. All the resonances show Fano-like line shapes. Asymmetry parameter q of resonances R 1 and R 3 of alloys is observed to be large and negative. Our analysis suggests that the origin of large negative q is associated with phonon assisted interband scattering between Mo-like states and the narrow band that appeared due to ETT. [ABSTRACT FROM AUTHOR]

Swift heavy ions induced structural and magnetic modifications of Co/Ti multilayers have been studied with 120 MeV Ag9+ ions at different ion fluences. The decrease in 1st Bragg peak intensity of X-ray reflectivity spectra confirms an increase in Co-Ti mixing at the interfaces, whereas X-ray diffraction (XRD) measurements reveal amorphization of the crystalline Co layer. XRD also indicates a shift in peak position towards a lower angle, confirming the development of tensile stress upon irradiation whereas an increase in the peak width suggests the reduction in the grain size. Vibrating sample magnetometer measurements show a reduction in Mr/Ms due to Co-Ti interface mixing and formed bcc-Co3Ti metastable phase. The X-ray absorption fine structure (XAFS) technique has been utilized to obtain variation in Co-Co and Co-Ti bond distances as a function of ion fluences. Quantitative estimation of Co3Ti phase generated due to ion irradiation has also been obtained using Co K-edge XAFS fitting. [ABSTRACT FROM AUTHOR]

Vanadium incorporation in ZnO modifies the lattice structure. The valence state of V plays an important role, controlling the oxygen content and thereby dimensions of the lattice. Both V4+ and V5+ are more electropositive than Zn2+ and reduce oxygen vacancies, resulting in lattice expansion. However, the sizes of both V4+ and V5+ are smaller than Zn2+, thereby resulting in the lattice contraction. The internal competition of increasing oxygen content and reducing effective crystal radius decides the lattice expansion and contraction. This affects the lattice strain and changes electronic levels, which modify absorption and emission processes in between the valence and conduction bands. A strong green emission band not due to oxygen vacancy but due to defects contributed by vanadium is also dependent on the oxidation state of vanadium. Bandgap also increases with the increase in the V4+ content. [ABSTRACT FROM AUTHOR]

We present investigations of the presence of oxides, hydrides, and hydrocarbons in high-purity (residual resistivity ratio, ~300) niobium (Nb) materials used in fabrication of superconducting radio frequency (SRF) cavities for particle accelerators. Raman spectroscopy of Nb materials (as-received from the vendor as well as after surface chemical- and thermal processing) revealed numerous peaks, which evidently show the presence of oxides (550 cm-1), hydrides (1277 and 1385 cm-1: ~80 K temperature), and groups of hydrocarbons (1096, 2330, 2710, 2830, 2868, and 3080 cm-1). The present work provides direct spectroscopic evidence of hydrides in the electro-polished Nb materials typically used in SRF cavities. Raman spectroscopy thus can provide vital information about the near-surface chemical species in niobium materials and will help in identifying the cause for the performance degradation of SRF cavities. Furthermore, photoelectron spectroscopy was performed on the Nb samples to complement the Raman spectroscopy study. This study reveals the presence of C and O in the Nb samples. Core level spectra of Nb (doublet 3d5/2 and 3d3/2) show peaks near 206.6 and 209.4 eV, which can be attributed to the Nb5+ oxidation state. The core level spectra of C 1 s of the samples are dominated by graphitic carbon (binding energy, 284.6 eV), while the spectra of O 1 s are asymmetrically peaked near binding energy of ~529 eV, and that indicates the presence of metal-oxide Nb2O5. The valence-band spectra of the Nb samples are dominated by a broad peak similar to O 2p states, but after sputtering (for 10 min) a peak appears at ~1 eV, which is a feature of the elemental Nb atom. [ABSTRACT FROM AUTHOR]

Interfacial atomic diffusion, reaction, and formation of microstructure in nanoscale level are investigated in W/B4C multilayer (ML) system as functions of thickness in ultrathin limit. Hard x-ray reflectivity (XRR) and x-ray diffuse scattering in conjunction with x-ray absorption near edge spectroscopy (XANES) in soft x-ray and hard x-ray regimes and depth profiling x-ray photoelectron spectroscopy (XPS) have been used to precisely evaluate detailed interfacial structure by systematically varying the individual layer thickness from continuous-to-discontinuous regime. It is observed that the interfacial morphology undergoes an unexpected significant modification as the layer thickness varies from continuous-to-discontinuous regime. The interfacial atomic diffusion increases, the physical density of W layer decreases and that of B4C layer increases, and further more interestingly the in-plane correlation length decreases substantially as the layer thickness varies from continuous-to-discontinuous regime. This is corroborated using combined XRR and x-ray diffused scattering analysis. XANES and XPS results show formation of more and more tungsten compounds at the interfaces as the layer thickness decreases below the percolation threshold due to increase in the contact area between the elements. The formation of compound enhances to minimize certain degree of disorder at the interfaces in the discontinuous region that enables to maintain the periodic structure in ML. The degree of interfacial atomic diffusion, interlayer interaction, and microstructure is correlated as a function of layer thickness during early stage of film growth. [ABSTRACT FROM AUTHOR]

The valence band offset value of 2.3 ± 0.2 eV at epitaxial NiO/Al2O3 heterojunction is determined from photoelectron spectroscopy experiments. Pulsed laser deposited thin film of NiO on Al2O3 substrate is epitaxially grown along [111] direction with two domain structures, which are in-plane rotated by 60° with respect to each other. Observation of Pendellosung oscillations around Bragg peak confirms high interfacial and crystalline quality of NiO layer deposited on Al2O3 substrate. Surface related feature in Ni 2p3/2 core level spectra along with oxygen K-edge soft X-ray absorption spectroscopy results indicates that the initial growth of NiO on Al2O3 substrate is in the form of islands, which merge to form NiO layer for the larger coverage. The value of conduction band offset is also evaluated from the measured values of band gaps of NiO and Al2O3 layers. A type-I band alignment at NiO and Al2O3 heterojunction is also obtained. The determined values of band offsets can be useful in heterojunction based light emitting devices. [ABSTRACT FROM AUTHOR]

A compressive hydrostatic strain has been found to develop in the ZnO lattice as a result of accumulation of Tb ions on the surface of the nanoparticles for Tb mole-fraction less than 0.04. This hydrostatic strain can be controlled up to ≈14 GPa by varying the Tb mole-fraction. Here, we have utilized this novel technique of surface strain engineering through Tb doping for introducing hydrostatic compressive strain in the lattice to study the pressure dependent electronic and vibrational properties of ZnO nanoparticles. Our study reveals that when subjected to pressure, nanoparticles of ZnO behave quite differently than bulk in many aspects. Unlike bulk ZnO, which is reported to go through a wurtzite to rock-salt structural phase transition at ≈8 GPa, ZnO nanoparticles do not show such transition and remain in wurtzite phase even at 14 GPa of pressure. Furthermore, the Grüneisen parameters for the optical phonon modes are found to be order of magnitude smaller in ZnO nanoparticles as compared to bulk. Our study also suggests an increase of the dielectric constant with pressure, which is opposite to what has been reported for bulk ZnO. Interestingly, it has also been found that the exciton-phonon interaction depends strongly upon pressure in this system. The exciton-phonon coupling has been found to decrease as pressure increases. A variational technique has been adopted to theoretically calculate the exciton-LO phonon coupling coefficient in ZnO nanoparticles as a function of pressure, which shows a good agreement with the experimental results. These findings imply that surface engineering of ZnO nanoparticles with Tb could indeed be an efficient tool to enhance and control the optical performance of this material. [ABSTRACT FROM AUTHOR]

ZrO2 samples with 11% Nd and La doping and with 7, 9, 11, and 13% Gd doping have been prepared by co-precipitation route followed by sintering at 700 °C and 1100 °C, for potential application as high conductivity electrolytes in solid oxide fuel cells. The samples have been characterized by x-ray diffraction with laboratory x-ray source of Cu Kα radiation and extended x-ray absorption fine structure (EXAFS) spectroscopy measurement at Zr K edge with synchrotron radiation. The XRD spectra have been analyzed to determine the structure of the samples and the EXAFS data have been analyzed to find out relevant local structure parameters of the Zr-O and Zr-Zr shells, viz., bond distances, co-ordinations, and disorder parameters. The effect of change in ionic radius as well as concentration of the dopants on the above parameters has been thoroughly studied. The experimental results, in some cases, have also been corroborated by first principle calculations of the energetics of the systems. [ABSTRACT FROM AUTHOR]