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At least 685 records · Page 38

Local geometric and electronic structures and origin of magnetism in Co-doped BaTiO{sub 3} multiferroics

We have prepared polycrystalline samples BaTi{sub 1−x}Co{sub x}O{sub 3} (x = 0–0.1) by solid-state reaction. X-ray diffraction and Raman-scattering studies reveal the phase separation in crystal structure as changing Co-doping content (x). The samples with x = 0–0.01 are single phase in a tetragonal structure. At higher doping contents (x > 0.01), there is the formation and development of a secondary hexagonal phase. Magnetization measurements at room temperature indicate a coexistence of paramagnetic and weak-ferromagnetic behaviors in BaTi{sub 1−x}Co{sub x}O{sub 3} samples with x > 0, while pure BaTiO{sub 3} is diamagnetic. Both these properties increase with increasing x. Analyses of X-ray absorption spectra recorded from BaTi{sub 1−x}Co{sub x}O{sub 3} for the Co and Ti K-edges indicate the presence of Co{sup 2+} and Co{sup 3+} ions. They locate in the Ti{sup 4+} site of the tetragonal and hexagonal BaTiO{sub 3} structures. Particularly, there is a shift of oxidation state from Co{sup 2+} to Co{sup 3+} when Co-doping content increases. We believe that the paramagnetic nature in BaTi{sub 1−x}Co{sub x}O{sub 3} samples is due to isolated Co{sup 2+} and Co{sup 3+} centers. The addition of Co{sup 3+} ions enhances the paramagnetic behavior. Meanwhile, the origin of ferromagnetism is due to lattice defects, which is less influenced by the changes caused by the variation in concentration of Co{sup 2+} and Co{sup 3+} ions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Facile synthesis of Zn doped CuO hierarchical nanostructures: Structural, optical and antibacterial properties

Zn{sub x}Cu{sub 1−x}O (where x= 0, 0.01, 0.03, 0.05, 0.07 and 0.1 mol%) hierarchical nanostructures have been prepared via soft chemical route. X-ray diffraction (XRD) results of the synthesized samples reveal the monoclinic structure of CuO without any impurity related phases. The micro-structural parameters such as crystallite size and microstrain have been strongly influenced by Zn doping. Scanning electron microscope (SEM) analyses depict the formation of hierarchical nanostructures having average particle size in the range of 26-43 nm. The surface area of CuO nanostructures has been reduced systematically with the increase in Zn content which is linked with the variations in particle size. An obvious decrease in the optical band gap energy of the synthesized CuO hierarchical nanostructures has been observed with Zn doping which is assigned to the formation of shallow levels in the band gap of CuO and combined transition from oxygen 2p states to d sates of Cu and Zn ions. The bactericidal potency of the CuO hierarchical nanostructures have been found to be enhanced remarkably with Zn doping.

36 MATERIALS SCIENCE↗

Doping dependence of the electron-phonon coupling in two families of bilayer superconducting cuprates

While electron-phonon coupling (EPC) is crucial for Cooper pairing in conventional superconductors, its role in high-Tc superconducting cuprates is debated. Here, using resonant inelastic x-ray scattering at the oxygen K edge, we study the EPC in Bi 2 Sr 2 CaCu 2 O 8+δ (Bi2212) and Nd 1+x Ba 2-x Cu 3 O 7-δ (NBCO) at different doping levels ranging from heavily underdoped (p=0.07) to overdoped (p=0.21). We analyze the data with a localized Lang-Firsov model that allows for the coherent excitations of two phonon modes. While electronic band dispersion effects are non-negligible, we are able to perform a study of the relative values of EPC matrix elements in these cuprate families. In the case of NBCO, the choice of the excitation energy allows us to disentangle modes related to the CuO chains and the CuO 2 planes. Combining the results from the two families, we find the EPC strength decreases with doping at q∥=(-0.25, 0) r.l.u., but has a nonmonotonic trend as a function of doping at smaller momenta. This behavior is attributed to the screening effect of charge carriers. We also find that the phonon intensity is enhanced in the vicinity of the charge-density-wave excitations while the extracted EPC strength appears to be less sensitive to their proximity. By performing a comparative study of two cuprate families, we are able to identify general trends in the EPC for the cuprates and provide experimental input to theories invoking a synergistic role for this interaction in d -wave pairing.

36 MATERIALS SCIENCE↗

Effect of thermal annealing on electron spin relaxation of beryllium-doped In{sub 0.8}Ga{sub 0.2}As{sub 0.45}P{sub 0.55} bulk

The effect of thermal annealing on the electron spin relaxation of beryllium-doped In{sub 0.8}Ga{sub 0.2}As{sub 0.45}P{sub 0.55} bulk was investigated by time-resolved spin-dependent pump and probe reflection measurement with a high time resolution of 200 fs. Three similar InGaAsP samples were examined one of which was annealed at 800 °C for 1 s, one was annealed at 700 °C for 1 s and the other was not annealed after crystal growth by molecular beam epitaxy. Although the carrier lifetimes of the 700 °C-annealed sample and the unannealed sample were similar, that of the 800 °C-annealed sample was extended to 11.6 (10.4) ns at 10 (300) K, which was more than two (four) times those of the other samples. However, interestingly the spin relaxation time of the 800 °C-annealed sample was found to be similar to those of the other two samples. Particularly at room temperature, the spin relaxation times are 143 ps, 147 ps, and 111 ps for the 800 °C-annealed sample, 700 °C-annealed sample, and the unannealed sample, respectively.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Near-field thermal radiation transfer controlled by plasmons in graphene

It is shown that thermally excited plasmon-polariton modes can strongly mediate, enhance, and tune the near-field radiation transfer between two closely separated graphene sheets. The dependence of near-field heat exchange on doping and electron relaxation time is analyzed in the near infrared within the framework of fluctuational electrodynamics. The dominant contribution to heat transfer can be controlled to arise from either interband or intraband processes. We predict maximum transfer at low doping and for plasmons in two graphene sheets in resonance, with orders-of-magnitude enhancement (e.g., 10 2 to 10 3 for separations between 0.1 μm and 10 nm) over the Stefan-Boltzmann law, known as the far-field limit. Strong, tunable, near-field transfer offers the promise of an externally controllable thermal switch as well as a novel hybrid graphene-graphene thermoelectric/thermophotovoltaic energy conversion platform.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Robust Millisecond Coherence Times of Erbium Electron Spins

Erbium doped solids are prime candidates for quantum memories in optical quantum networks given their telecom-compatible photon emission. An electron spin of erbium with millisecond coherence time is desirable for generating remote entanglement between adjacent quantum network nodes. Here, in this study, we report GHz-range electron spin transitions of 167 Er 3+ in yttrium oxide (Y 2 O 3 ) matrix with coherence times that are consistently longer than a millisecond. By polarizing para magnetic impurity spins we achieve a spin T 2 up to 1.46 ms, and up to 7.1 ms after dynamical decoupling. These coherence lifetimes are among the longest found for erbium in crystalline matrices despite the presence of host nuclear spins. We further enhance the coherence time beyond conventional dynamical decoupling, using customized sequences to simultaneously mitigate spectral diffusion and dipolar interactions. Our study not only establishes 167 Er 3+ : Y 2 O 3 as a significant quantum memory platform but also provides a guideline for engineering long-lived erbium spins in a variety of host materials for quantum technologies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Preparation and Characterization of Sol–Gel Dip Coated Al: ZnO (AZO) Thin Film for Opto-Electronic Application

Aluminum doped zinc oxide (AZO) thin film was prepared by sol–gel dip coating method from methanol and monoethanolamine respectively, used as solvent and stabilizer agent. From the XRD study, it was confirmed that the aluminum was incorporated into the ZnO lattice. The prepared film have polycrystalline in nature and the film exhibit hexagonal wurtzite structure with (002) direction. SEM and AFM studies showed well defined smooth and uniformed wrinkle shaped grains distributed regularly on to the entire glass substrate without any pinholes and cracks. From the optical study, the observed highest transmittance was about 82% in the visible range and the band gap is 3.15 eV. Room temperature PL spectra exhibited a strong UV emission peak located at 390 nm for the deposited film. The electrical properties of the AZO thin film was studied by Hall-Effect measurement and found that it has n-type conductivity with low resistivity (ρ) of about 9.06 × 10{sup –3} Ω cm.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Effect of Intrinsic Defects on Electronic and Magnetic Properties in Tm-Doped GaN: First-Principles Calculations

Based on the density functional theory, we investigate the electronic and magnetic properties of various types of defect complexes formed by dopant Tm and Ga vacancies, N vacancies, or O interstitial in Tm-doped GaN. Formation energies are first calculated for all defect complexes to assess their stability. The single Tm dopant is found to introduce the local magnetic moment of about 2 μ{sub B}/Tm in GaN. However, in the case of defect complexes, the magnetic moments of Tm can be suppressed by the existence of Ga vacancies around it, while the presence of N vacancies or O interstitial does not influence the magnetic moment of Tm. In addition, each Ga vacancy in the neutral charge state induces the local magnetic moment of about 2.1 μ{sub B} and one octahedral O interstitial can lead to the local moment of about 1.6 μ{sub B}.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Salts as Additives: A Route to Improve Performance and Stability of n-Type Organic Electrochemical Transistors

Organic electrochemical transistors (OECTs) are becoming increasingly ubiquitous in various applications at the interface with biological systems. However, their widespread use is hampered by the scarcity of electron-conducting (n-type) backbones and the poor performance and stability of the existing n-OECTs. Here, we introduce organic salts as a solution additive to improve the transduction capability, shelf life, and operational stability of n-OECTs. We demonstrate that the salt-cast devices present a 10-fold increase in transconductance and achieve at least one year-long stability, while the pristine devices degrade within four months of storage. The salt-added films show improved backbone planarity and greater charge delocalization, leading to higher electronic charge carrier mobility. These films show a distinctly porous morphology where the interconnectivity is affected by the salt type, responsible for OECT speed. The salt-based films display limited changes in morphology and show lower water uptake upon electrochemical doping, a possible reason for the improved device cycling stability. Our work provides a new and easy route to improve n-type OECT performance and stability, which can be adapted for other electrochemical devices with n-type films operating at the aqueous electrolyte interface.

36 MATERIALS SCIENCE↗

Tunable electronic structures of p-type Mg doping in AlN nanosheet

The p-type impurity properties are investigated in the Mg-doped AlN nanosheet by means of first-principles calculations. Numerical results show that the transition energy levels reduce monotonously with the increase in Mg doping concentration in the Mg-doped AlN nanosheet systems, and are lower than that of the Mg-doped bulk AlN case for the cases with larger doping concentration. Moreover, Mg substituting Al atom is energy favorably under N-rich growth experimental conditions. These results are new and interesting to further improve p-type doping efficiency in the AlN nanostructures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Structural and Electronic Properties of Indium-Doped n-type Cd-Se-Te Crystals

Here, we present a comprehensive investigation into the potential of n-type indium-doped cadmium selenide telluride (CST:In) as a high-performance candidate for solar cell applications, without the need for resource-intensive post-growth treatments that are required for CdTe:In. We compared undoped CST and CST:In crystals under different growth conditions, analyzing their structural and electronic properties using x-ray diffraction (XRD), electron probe microanalysis (EPMA), current-voltage (IV) and Hall effect measurements, time-resolved photoluminescence (TRPL), optical transmission, and photoluminescence (PL) mapping. The results reveal that as-grown CST:In crystals achieve nearly 100% carrier activation, yielding an electron concentration of 9.5x1018 cm -3 , mobility of 653 cm 2 /V.s and a 5 ns lifetime which approaches the radiative limit. Furthermore, comparison of PL maps from crystal growths having different cooling profiles suggests a strong effect of cooling rate on selenium segregation and cubic/hexagonal/polytype phase distribution. Slower cooling leads to a more homogeneous cubic structure with lower Se segregation, while a faster cooling rate results in increased Se segregation, and twin boundaries and stacking faults with polytypic and hexagonal character.

14 SOLAR ENERGY↗

Electron Transfer Going the Distance: Mn-Doped ZnSe as a Model Photocatalytic System

In this work, time-resolved photoluminescence and transient absorption spectroscopy are used to examine the influence that long excited state lifetimes of Mn-doped nanocrystals have on the mechanisms of photo-induced electron transfer (PET) in photocatalytic systems. Mn-doped ZnSe nanocrystals can undergo PET over their nearly millisecond excited state lifetime, which enables electron transfer to viologens in solution over large encounter distances in comparison to molecular length scales. The long excited state lifetimes also enable diffusion of the excited nanocrystals over hundreds of nanometers in solution, allowing them to react with molecular species at nanomolar concentrations. The ability to capture and sustain optical energy in spin-forbidden transitions among crystal field states of the Mn ions opens opportunities to explore the influence that long excited state lifetimes have on photocatalytic reaction mechanisms involving molecular species such as CO 2 that can be difficult to concentrate or attach to nanocrystal surfaces.

14 SOLAR ENERGY↗

Temperature dependence of electronic band transition in Mn-doped SnO{sub 2} nanocrystalline films determined by ultraviolet-near-infrared transmittance spectra

Highlights: Black-Right-Pointing-Pointer The temperature dependence of electronic structures has been investigated by transmittance spectra from 5.3 to 300 K. Black-Right-Pointing-Pointer The optical band gap shows a red shift with increasing Mn composition and decreases with the temperature. Black-Right-Pointing-Pointer The band gap narrowing parameter [E{sub g}(5.3 K)-E{sub g}(300 K)] linearly decreases with the Mn composition. Black-Right-Pointing-Pointer There are two temperature regimes for the Urbach energy. -- Abstract: Mn-doped SnO{sub 2} (SMO) nanocrystalline films with the composition from 2.5 to 12.5% have been prepared on quartz substrates by pulsed laser deposition. The temperature dependence of electronic structures and optical constants in the SMO films have been investigated by transmittance spectra from 5.3 to 300 K. Optical response functions have been extracted by fitting the transmittance spectra in the photon energy range of 0.5-6.5 eV with the Adachi's model. It was found that the absorption edge presents a red-shift trend with increasing Mn composition, and the optical band gap (OBG) is varied between 4.22 and 3.44 eV. Moreover, as the Mn composition increases, the temperature dependence of OBG becomes weaker. The band gap narrowing value [(5.3 K)-(300 K)] has been reduced from 98 to 3 meV and linearly decreases with the Mn composition. The phenomena could be attributed to the transition from low doping level SnO{sub 2} band-like states to Mn-related localized states. Moreover, the Urbach energy shows the degree of the structural disorder, which could be explained by an empirical formulas in different temperature regimes.

36 MATERIALS SCIENCE↗

Electronic and Magnetic Properties of Os-Doped Rhodium Clusters: a Theoretical Study

The stability and electronic and magnetic properties of Rh{sub n}Os (n= 2–12) clusters in their most stable configurations were systematically studied by using density functional theory (DFT) at M06L/aug-cc-pVDZ level. Calculation of the second-order difference of energies and fragmentation energies exhibited that Rh{sub 3}Os, Rh{sub 5}Os, Rh{sub 7}Os, and Rh{sub 9}Os clusters are more stable than any other clusters. The calculated HOMO-LUMO energy gaps of the Rh{sub n}Os clusters are found to be in the range of 0.018 to 0.299 eV, implying that the metallic behavior can appear in these clusters. Accordingly, the Rh{sub n}Os clusters can be employed as heterogeneous nanocatalysts in many chemical reactions. The local Fukui function (f{sub k}{sup −}) has also been calculated, and the obtained results reveal that the highest f{sub k}{sup −} values are predicted for the Rh atoms. Therefore, the Rh atoms in the clusters are considered the most reactive sites that undergo reactions with electrophilic reagents. The analysis of the magnetic properties of the Rh{sub n}Os clusters shows that the total magnetic moment per atom of these clusters varies from 0.67 to 1.75 µ{sub B}/atom. And, the PDOS analysis reveals that the d orbitals play a crucial role for the magnetism of the Rh{sub n}Os clusters, and the contribution of the s and p orbitals is small.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Unconventional Relation between Charge Transport and Photocurrent via Boosting Small Polaron Hopping for Photoelectrochemical Water Splitting

Doping in semiconductor photoelectrodes controls defect formation and carrier transport that critically determine the device performance. Here we report an unconventional carrier transport relation that is tuned by extrinsic molybdenum (Mo) doping in BiVO 4 photoanodes. Using the single-crystalline thin film approach, we identify that Mo doping significantly condenses the optimization regime between carrier transport and photon collection. For Mo-doped BiVO 4 films, an unprecedentedly thin layer (50 nm), less than one-third of the pristine BiVO 4 thickness, delivers larger photocurrents by overcoming the charge transport limitation, representing a regime not covered in conventional models. We provide direct evidence that Mo doping improves electron transport by boosting not only the donor density but also the electron mobility in the form of a small polaron, with the latter applying substantial impact on the photoelectrochemical performance. Density functional theory calculations reveal that fully ionized Mo dopants establish a strong electrostatic interaction with a small polaron, which helps reduce its hopping barrier by minimizing the local lattice expansion. Here, our results deliver mechanistic insights on the interplay between extrinsic doping and carrier transport, and provide guidance in developing advanced semiconductor photoelectrodes.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Electronic structure, magnetic and structural properties of Ni doped ZnO nanoparticles

Highlights: • XRD, and HR-TEM results show the single phase nature of Ni doped ZnO nanoparticles. • dc magnetization results indicate the RT-FM in Ni doped ZnO nanoparticles. • Ni L{sub 3,2} edge NEXAFS spectra infer that Ni ions are in +2 valence state. • O K edge NEXAFS spectra show that O vacancy increases with Ni doping in ZnO. - Abstract: We report structural, magnetic and electronic structural properties of Ni doped ZnO nanoparticles prepared by auto-combustion method. The prepared nanoparticles were characterized by using X-ray diffraction (XRD), high resolution transmission electron microscopy (HR-TEM), near edge X-ray absorption fine structure (NEXAFS) spectroscopy, and dc magnetization measurements. The XRD and HR-TEM results indicate that Ni doped ZnO nanoparticles have single phase nature with wurtzite lattice and exclude the presence of secondary phase. NEXAFS measurements performed at Ni L{sub 3,2}-edges indicates that Ni ions are in +2 valence state and exclude the presence of Ni metal clusters. O K-edge NEXAFS spectra indicate an increase in oxygen vacancies with Ni-doping, while Zn L{sub 3,2}-edge show the absence of Zn-vacancies. The magnetization measurements performed at room temperature shows that pure and Ni doped ZnO exhibits ferromagnetic behavior.

36 MATERIALS SCIENCE↗