Effect of carbon doping on electronic transitions in Mn5Ge3
N/A
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
SEARCH · Search NASA
Results for “electronic doping”
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.
Extended Electronic Structure Inhomogeneity Created by Double Chain Layer Defects Surrounding Columnar Tracks in Heavy-Ion Irradiated YBa{sub 2}Cu{sub 3}O{sub 7-{delta}}.
In YBa2Cu3O7-delta (YBCO), heavy-ion irradiation creates continuous amorphous tracks that are highly effective for vortex pinning. However, the electronic structure landscape of defects and consequently their vortex pinning roles are unclear. Here, we show double chain layer (DCL) defects which intersect the columnar tracks are additionally produced by high energy Pb ion irradiation in YBCO. The DCL defects are similar to 29 nm long, about three times the columnar defect diameter. The electronic structures of the DCL and columnar track defects were determined using atomic-resolution scanning transmission electron microscopy (STEM) and high resolution electron energy loss spectroscopy (EELS). Results show a decrease in the oxygen and copper content at the interface between the track and the YBCO matrix, resulting in interfacial strain. For the DCL defects, the STEM/EELS study revealed a localized electron doped CuO2 plane next to the DCL defect. The DCL defects thus further extend the electronic inhomogeneity into YBCO.
critical current↗
Pairing properties of the $t$–$t$'–$t$"–$J$ model
We study the pairing properties of the two-dimensional t–t'–t"–J model, where t' and t" are second and third neighbor hoppings, at a doping level x ≈ 0.1. Recent studies of the t–t'–J model find strong pairing for t' > 0, associated with electron doping, but an absence of pairing for t'<0, associated with hole doping. This is in contrast to the cuprates, where the highest transition temperatures appear for hole doping. Model parametrizations for the cuprates estimate a t" comparable to t', which, in principle, might fix this discrepancy. However, we find that it does not; we observe a suppression of pairing for the hole-doped system (t' < 0,t" > 0), while for the electron-doped system (t' > 0,t" < 0) d-wave pairing is robust. As a result, extended hoppings appear to be insufficient to make the one-band t–t'–J model capable of describing the pairing in the hole-doped system.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Hole doping and electronic correlations in Cr substituted BaFe$_{2}$As$_{2}$
For a significant composition range, the suppression of the spin density wave transition temperature (T SDW ) in Cr- and Mn-substituted BaFe 2 As 2 (CrBFA and MnBFA, respectively) coincides as a function of Cr/Mn content, despite the distinct electronic effects of these substitutions. Additionally, for any Cr/Mn content superconductivity (SC) is absent and this topic is particularly less explored in the case of CrBFA. Here, in this work, we employ angle-resolved photoemission spectroscopy (ARPES) and combined density functional theory plus dynamical mean field theory (DFT+DMFT) to address the evolution of the Fermi surface (FS) and electronic correlations in CrBFA. Our findings reveal that incorporating Cr leads to an effective hole doping of the states near the FS, which is well described within the virtual crystal approximation (VCA). Moreover, analysis of the ARPES spectra of the bands with main d yz -orbital character reveals a fractional scaling of the imaginary part of self-energy as a function of the binding energy, a signature property of Hund's correlations. Our DFT+DMFT calculations support these experimental findings. We conclude that CrBFA is a correlated electron system for which the changes in the FS as a function of Cr are unrelated to the suppression of T SDW . In addition, we suggest that the absence of SC is primarily due to the competition between Cr local moments and the Fe-derived itinerant spin fluctuations.
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
Tuning nucleation density of metal island with charge doping of graphene substrate
We have demonstrated that the island nucleation in the initial stage of epitaxial thin film growth can be tuned by substrate surface charge doping. This charge effect was investigated using spin density functional theory calculation in Fe-deposition on graphene substrate as an example. It was found that hole-doping can noticeably increase both Fe-adatom diffusion barrier and Fe inter-adatom repulsion energy occurring at intermediate separation, whereas electron-doping can decrease Fe-adatom diffusion barrier but only slightly modify inter-adatom repulsion energy. Further kinetic Monte Carlo simulation showed that the nucleation island number density can be increased up to six times larger under hole-doping and can be decreased down to ten times smaller under electron doping than that without doping. Our findings indicate a route to tailor the growth morphology of magnetic metal nanostructure for spintronics and plasmonic applications via surface charge doping.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Orbital-selective metal skin induced by alkali-metal-dosing Mott-insulating Ca2RuO4
Abstract Doped Mott insulators are the starting point for interesting physics such as high temperature superconductivity and quantum spin liquids. For multi-band Mott insulators, orbital selective ground states have been envisioned. However, orbital selective metals and Mott insulators have been difficult to realize experimentally. Here we demonstrate by photoemission spectroscopy how Ca 2 RuO 4 , upon alkali-metal surface doping, develops a single-band metal skin. Our dynamical mean field theory calculations reveal that homogeneous electron doping of Ca 2 RuO 4 results in a multi-band metal. All together, our results provide evidence for an orbital-selective Mott insulator breakdown, which is unachievable via simple electron doping. Supported by a cluster model and cluster perturbation theory calculations, we demonstrate a type of skin metal-insulator transition induced by surface dopants that orbital-selectively hybridize with the bulk Mott state and in turn produce coherent in-gap states.
Physics↗
Doping SrTiO 3 supported FeSe by excess atoms and oxygen vacancies
Photoemission studies of FeSe monolayer films on SrTiO 3 substrate have shown electronic structures that deviate from pristine FeSe, consistent with heavy electron doping. With the help of first-principles calculations we studied the effect of excess Fe and Se atoms on the monolayer and oxygen vacancies in the substrate in order to understand the reported Fermi surface in this system. We find that both excess Fe and Se atoms prefer the same adsorption site above the bottom Se atoms on the monolayer. The adsorbed Fe is strongly magnetic and contributes electrons to the monolayer, while excess Se hybridizes with the monolayer Fe-d states and partially opens a gap just above the Fermi energy. We also find that the two-dimensional electron gas generated by the oxygen vacancies is partly transferred to the monolayer and can potentially suppress the hole pockets around the Γ point. Furthermore, both O vacancies in the SrTiO 3 substrate and excess Fe over the monolayer can provide high levels of electron doping.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Vibration responses of h-BN sheet to charge doping and external strain
Based on density functional theory and density functional perturbation theory calculations, we systematically investigate the vibration responses of h-BN sheet to charge doping and external strains. It is found that under hole doping, the phonon frequencies of the ZO and TO branches at different wave vector q shift linearly with different slopes. Under electron doping, although the phonon frequencies shift irregularly, the shifting values are different at different phonon wave vectors. Interestingly, we find that external strain can restrain the irregular vibration responses of h-BN sheet to electron doping. The critical factor is revealed to be the relative position of the nearly free electron and boron p{sub z} states of h-BN sheet. Under external strains, the vibration responses of h-BN sheet are also found to be highly dependent on the phonon branches. Different vibration modes at different q points are revealed to be responsible for the vibration responses of h-BN sheet to charge doping and external strain. Our results point out a new way to detect the doping or strain status of h-BN sheet by measuring the vibration frequencies at different wave vector.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Competing magnetic fluctuations and orders in a multiorbital model of doped SrCo 2 As 2
We revisit the intriguing magnetic behavior of the paradigmatic itinerant frustrated magnet SrCo 2 As 2 , which shows strong and competing magnetic fluctuations yet does not develop long-range magnetic order. By calculating the static spin susceptibility Χ(q) within a realistic 16-orbital Hubbard-Hund model, we determine the leading instability to be ferromagnetic (FM). We then explore the effect of doping and calculate the critical Hubbard interaction strength U c that is required for the development of magnetic order. We find that U c decreases under electron doping and with increasing Hund's coupling J, but increases rapidly under hole doping. This suggests that magnetic order could possibly emerge under electron doping but not under hole doping, which agrees with experimental findings. We map out the leading magnetic instability as a function of doping and Hund's coupling and find several antiferromagnetic phases in addition to FM. We also quantify the degree of itinerant frustration in the model and resolve the contributions of different orbitals to the magnetic susceptibility. Lastly, we discuss the dynamic spin susceptibility Χ(q,ω) at finite frequencies, where we recover the anisotropy of the peaks at Q π = (π,0) and (0,π) observed by inelastic neutron scattering that is associated with the phenomenon of itinerant magnetic frustration. By comparing results between theory and experiment, we conclude that the essential experimental features of doped SrCo 2 As 2 are well captured by an itinerant Hubbard-Hund multiorbital model if one considers a small shift of the chemical potential towards hole doping.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Doping and electronic properties of GaAs grown by close-spaced vapor transport from powder sources for scalable III–V photovoltaics
We report the use of a simple close-spaced vapor transport technique for the growth of high-quality epitaxial GaAs films using potentially inexpensive GaAs powders as precursors. The free carrier type and density (10 16 to 10 19 cm –3 ) of the films were adjusted by addition of Te or Zn powder to the GaAs source powder. We show using photoelectrochemical and electron beam-induced current analyses that the minority carrier diffusion lengths of the n- and p-GaAs films reached ~3 μm and ~8 μm, respectively. Hall mobilities approach those achieved for GaAs grown by metal–organic chemical vapor deposition, 1000–4200 cm 2 V –1 s –1 for n-GaAs and 50–240 cm V –1 s –1 for p-GaAs depending on doping level. We conclude that the electronic quality of GaAs grown by close-spaced vapor transport is similar to that of GaAs made using conventional techniques and is thus sufficient for high-performance photovoltaic applications.
14 SOLAR ENERGY↗
Electronic Tuning in URu2Si2 Through Ru to Pt Chemical Substitution
Studies that control the unit cell volume and electronic composition have been useful in revealing what factors lead to hidden order and superconductivity in the strongly correlated electron system URu 2 Si 2 . For example, isoelectronic tuning that increases the hybridization between the f and conduction electron states (i.e., applied pressure and Ru → Fe/Os chemical substitution) 1) converts hidden order into antiferromagnetism and 2) destroys the superconductivity. The impact of nonisoelectronic chemical substitution has been less clear, but several unifying trends have recently emerged for chemical substitution vectors that qualitatively add electrons (e.g., Ru → Rh/Ir and Si → P). This includes 1) the rapid destruction of hidden order and superconductivity, 2) composition regions where the underlying Kondo lattice is preserved but does not harbor an ordered state, and 3) the emergence of complex magnetism at large substitutions. In order to assess the limits of this perspective, we have investigated the series U(Ru 1− x Pt x ) 2 Si 2 for x ≲ 0.19, where the Ru and Pt d -shells differ substantially from each other. Magnetic susceptibility, electrical resistivity, and heat capacity measurements unexpectedly reveal a phase diagram with notable similarities to those of other electron doping series. This result reinforces the viewpoint that there is a quasi-universal affect that results from electron doping in this material, and we anticipate that an understanding of these trends will be useful to isolate what factors are foundational for hidden order and superconductivity.
36 MATERIALS SCIENCE↗
Interplay of structure and charge order revealed by quantum oscillations in thin films of Pr 2 CuO 4 ± δ
The discovery of quantum oscillations in hole- A nd electron-doped cuprate families has underscored the importance of the Fermi surface in cuprate superconductivity. While the observed quantum oscillations in both families have revealed the presence of reconstructed Fermi surfaces, there remains an important distinction between the two. In hole-doped cuprates the oscillations are thought to arise from the effects of a charge density wave, while in the electron-doped cuprates it is thought that these oscillations occur from an antiferromagnetically reconstructed Fermi surface, despite the fact that the oscillations are observed in overdoped compounds, far from the putative antiferromagnetic critical point. In this work we study thin films of Pr 2 CuO 4±δ , whose apparent doping can be finely tuned by annealing, allowing studies of quantum oscillations in samples straddling the critical point. Here, we show that even though there is a mass enhancement of the quasiparticles, there are only small changes to the Fermi surface itself, suggesting that charge order is a more likely origin, with electronic correlations that are strongly dependent on the structural parameters.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Combined microscopy studies of complex electronic materials. Final report
The aim of this project was to study the electronic properties of exotic electronic materials which are only available as micron-scale samples or have microscopic inhomogeneity, using a special combination of multiple submicron scanning microscopy techniques allied to control of temperature, magnetic and electric fields and mechanical strain. In nanobeams of VO 2 , with its still mysterious metal-insulator phase transition, we determined the phase diagram and demonstrated that hydrogen diffusion is strongly channelled along one crystal axis. Using graphene, we developed and applied the scanning photo-Nernst effect, in which a current is generated when a laser is focused on the edge a sample in a magnetic field. We demonstrated that CrI 3 , a two-dimensional layered magnet, retains true Ising ferromagnetization down the monolayer level due to its out-of-plane anisotropy. In exfoliated WTe 2 , a layered topological semimetal, we discovered that monolayers are the first monolayer topological insulator and we imaged the helical edge states with scanning microwave microscopy. We also discovered that the same material when stacked in a few layers is a ferroelectric metal, and that the monolayer can be converted to a superconducting state by electron doping with a gate a temperatures below 1 K. Additionally, we developed the capability to perform momentum-resolved electronic spectroscopy on operating nanoscale devices by applying micron-scale angle resolved photoemission spectroscopy to two-dimensional heterostructure devices incorporating graphene and transition metal dichalcogenide semiconductors. Using it, we measured the band gaps of a series of monolayer semiconductors and observed band renormalization as a function of electron doping in monolayer WSe 2 .
36 MATERIALS SCIENCE↗
Enhancing superconductivity in bulk β–Bi 2 Pd by negative pressure induced by quantum electronic stress
An effective way to enhance the critical temperature (T c ) of bulk superconductivity (SC) is employing external pressure accompanied with or without phase transitions. However, the variations of T c are not always “positively” proportional to the pressure even in the same superconducting phase. There exist a class of bulk superconductors such as β–Bi 2 Pd, whose T c will be suppressed by pressure starting from the atmospheric pressure. Then the pressure approach of enhancing SC becomes invalid because it is impossible to apply a negative pressure. Here we demonstrate that quantum electronic stress (QES) induced by electronic doping affords a general approach to further enhance T c of such kinds of bulk superconductors without causing phase transition. Our first-principles calculations show that electron doping gives rise to a negative QES acting as an effective “negative” pressure, which expands the lattice of β–Bi 2 Pd. Consequently, it leads to an increase of electronic density of states at the Fermi level and softening of phonon vibration modes, which in turn enhances the strength of electron-phonon coupling. Conversely, the same concept also explains the experimental reports of pressure and hole-type substitution suppressed SC of bulk β–Bi 2 Pd, which unifies the effects of pressure and chemical substitution into the same theoretical framework of QES tuning SC. Here, we also envision that surface QES induced by quantum confinement may play an important role in affecting the T c of epitaxial superconductors, such as the experimentally reported β–Bi 2 Pd thin films.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Competition between Superconductivity and Magnetic/Nematic Order as a Source of Anisotropic Superconducting Gap in Underdoped Ba1-xKxFe2As2
Explore the source record for details and available documents.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Sulfur passivation of surface electrons in highly Mg-doped InN
Electron accumulation with a sheet density greater than 10{sup 13} cm{sup −2} usually occurs at InN surfaces. Here, the effects of treatment with ammonium sulfide ((NH{sub 4}){sub 2}S{sub x}) on the surface electronic properties of highly Mg-doped InN (>4×10{sup 18} cm{sup −3}) have been investigated with high resolution x-ray photoemission spectroscopy. The valence band photoemission spectra show that the surface Fermi level decreases by approximately 0.08 eV with (NH{sub 4}){sub 2}S{sub x} treatment, resulting in a decrease of the downward band bending and up to a 70% reduction in the surface electron sheet density.
36 MATERIALS SCIENCE↗
Influence of samarium doping on electronic and magneto-transport properties of La{sub 0.9−x}Sm{sub x}Sr{sub 0.1}MnO{sub 3} (0.1≤x≤0.5) nanoparticles
We report detailed field dependent electronic- (ρ-T) and magneto- transport (MR-H) studies of La{sub 1−x}Sm{sub x}Sr{sub 0.1}MnO{sub 3} (0.1≤x≤0.5) nanoparticles. Doping induced disorder at La site is observed in field dependent ρ-T measurements of the sample. At low doping side, nice metal to insulator transition (MIT) peak appears in ρ-T data whereas with increasing of Sm{sup +3} contents, metallic behavior is suppressed under the insulating background although a weak signature of MIT is found. Anomalous resistive nature of the samples with increasing of x can be explained in such a way that doping at nonmagnetic La site with magnetic Sm+3 ion induces an extra magnetic coupling in the system which changes the long range ferromagnetic ordering to spin glass/cluster glass state in antiferromagnetic background. The field dependent magneto resistance (MR) mechanism at different temperatures is investigated using spin polarized tunneling model of conduction electrons between two adjacent grains at the grain boundaries. For the sample of x=0.5, maximum 83 % change in MR is found at 8 T near MIT which leads the colossal magneto resistance effect.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Pairing symmetries of a hole-doped extended two-orbital model for the pnictides
The hole-doped ground state of a recently introduced extended t-U-J two-orbital Hubbard model for the Fe-based superconductors is studied via exact diagonalization methods on small clusters. Similarly as in the previously studied case of electron doping [A. Nicholson et al., Phys. Rev. Lett. 106, 217002 (2011)], upon hole doping it is observed that there are several competing pairing symmetries, including A1g , B1g , and B2g . However, contrary to the electron-doped case, the ground state of the hole-doped state has pseudocrystal momentum k = ( , ) in the unfolded Brillouin zone. In the two Fe-atom per unit cell representation, this indicates that the ground state involves antibonding, rather than bonding, combinations of the orbitals of the two Fe atoms in the unit cell. The lowest state with k = (0,0) has only a slightly higher energy. These results indicate that this simple two-orbital model may be useful to capture some subtle aspects of the hole-doped pnictides, since calculations for the five-orbital model have unveiled a hole pocket centered at M [k = ( , )] in the unfolded Brillouin zone.
99 GENERAL AND MISCELLANEOUS↗