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arXiv2013

The impact of edges and dopants on the work function of graphene nanostructures. The way to high electronic emission from pure carbon medium

The impact of the edges and presence of dopants to the work function (WF) of graphene nanoribbons (GNR) and nanoflakes was studied by an ab initio approach. The strong dependence of the WF upon the GNR structure was found and a promising character for the field emission by the donor type impurities was observed. Basing on the predominant impact of the nanostructure edges to the emission properties, the small graphene flakes were investigated as a possible source for the electron emission. The obtained weak dependence of the low WF values of the graphene flakes on their size and shape allows to suggest that the pure carbon medium with high and uniform emission properties can be fabricated by today technology.

cond-mat.mes-hall↗

arXiv2013

Rapid diffusion of electrons in GaMnAs

We report ultrafast transient-grating measurements, above and below the Curie temperature, of the dilute ferromagnetic semiconductor (Ga,Mn)As containing 6% Mn. At 80 K (15 K), we observe that photoexcited electrons in the conduction band have a lifetime of 8 ps (5 ps) and diffuse at about 70 cm2/s (60 cm2/s). Such rapid diffusion requires either an electronic mobility exceeding 7,700 cm2/Vs or a conduction-band effective mass less than half the GaAs value. Our data suggest that neither the scattering rate nor the effective mass of the (Ga,Mn)As conduction band differs significantly from that of GaAs.

cond-mat.mtrl-sci↗

arXiv2013

Intrinsic and extrinsic origins of low-frequency noise in GaAs/AlGaAs Schottky-gated nanostructures

We study low-frequency noise in current passing through quantum point contacts fabricated from several GaAs/AlGaAs heterostructures with different layer structures and fabrication processes. In contrast to previous reports, there is no gate-dependent random telegraph noise (RTN) originating from tunneling through a Schottky barrier in devices fabricated using the standard low-damage process. Gate-dependent RTN appears only in devices fabricated with a high-damage process that induces charge trap sites. We show that the insertion of AlAs/GaAs superlattices in the AlGaAs barrier helps to suppress trap formation. Our results enable the fabrication of damage-resistant and thus low-noise devices.

cond-mat.mes-hall↗

arXiv2013

Nonlocal van der Waals functionals: The case of rare-gas dimers and solids

Recently, the nonlocal van der Waals (vdW) density functionals [M. Dion, H. Rydberg, E. Schroeder, D. C. Langreth, and B. I. Lundqvist, Phys. Rev. Lett. 92, 246401 (2004)] have attracted considerable attention due to their good performance for systems where weak interactions are important. Since the physics of dispersion is included in these functionals, they are usually more accurate and show less erratic behavior than the semilocal and hybrid methods. In this work, several variants of the vdW functionals have been tested on rare-gas dimers (from He2 to Kr2) and solids (Ne, Ar, and Kr) and their accuracy compared to standard semilocal approximations supplemented or not by an atom-pairwise dispersion correction [S. Grimme, J. Antony, S. Ehrlich, and H. Krieg, J. Chem. Phys. 132, 154104 (2010)]. An analysis of the results in terms of energy decomposition is also provided.

physics.chem-ph↗

arXiv2013

Enhanced thermoelectric performance in spark plasma textured bulk n-type BiTe2.7Se0.3 and p-type Bi0.5Sb1.5Te3

Bulk p and n-type bismuth telluride were prepared using spark plasma texturization method. The texture development along the uniaxial load in the 001 direction is confirmed from both x-ray diffraction analysis and Electron Backscattering Diffraction measurements. Interestingly, those textured samples outperform the samples prepared by conventional spark plasma sintering (SPS) leading to a reduced thermal conductivity in the ab-plane. The textured samples of n- type BiTe2.7Se0.3 and p-type Bi0.5Sb1.5Te3 showed a 42% and 33% enhancement in figure of merit at room temperature respectively, as compared to their SPS counterparts, opening the route for applications.

cond-mat.mtrl-sci↗

arXiv2013

Enhancement of pinning properties of superconducting thin films by graded pinning landscapes

A graded distribution of pinning centers (antidots) in superconducting MoGe thin films has been investigated by magnetization and magneto-optical imaging. The pinning landscape has maximum density at the border, decreasing progressively towards the center. At high temperatures and low fields, where this landscape mimics the vortex distribution predicted by the Bean model, an increase of the critical current is observed. At low temperatures and fields, the superconducting performance of the non-uniform sample is also improved due to suppression of thermomagnetic avalanches. These findings emphasize the relevance of non-uniform pinning landscapes, so far experimentally unexplored, on the enhancement of pinning efficiency.

cond-mat.supr-con↗

arXiv2013

GaN / VO2 heteroepitaxial p-n junctions: Band offset and minority carrier dynamics

We report on experimental realization of p-n heterojunctions based on p-type GaN, and an n-type correlated oxide, VO2. The band offsets are evaluated by current-voltage and capacitance voltage measurements at various temperatures. A band diagram based on the conventional band bending picture is proposed to explain the evolution of the apparent barier height from electrical measurements and it suggests that the work function of VO2 decreases by ~0.2 eV when it goes through the insulator to metal transtion, in qualitative agreement with Kelvin force microscopy measurements reported in literature. The frequency dependent capacitance measurements allows us to differentiate the miniority carrier effect from the interface states and series resistance contributions, and estimate the minority carrier lifetime in insulating phase of VO2 to be of the order of few microseconds. The nitride-oxide based p-n heterojunctions provide a new dimension

cond-mat.mtrl-sci↗

arXiv2013

Size-dependent magnetization switching characteristics and spin wave modes of FePt nanostructures

We present a comprehensive investigation of the size-dependent switching characteristics and spin wave modes of FePt nanoelements. Curved nanomagnets ("caps") are compared to flat disks of identical diameter and volume over a size range of 100 to 300nm. Quasi-static magnetization reversal analysis using first-order reversal curves (FORC) shows that spherical caps have lower vortex nucleation and annihilation fields than the flat disks. As the element diameter decreases, the reversal mechanism in the caps crosses over sooner to coherent rotation than in the disks. The magnetization dynamics are studied using optically induced small angle precession and reveal a strong size dependence that differs for the two shapes. Flat disks exhibit well-known center and edge modes at all sizes, but as the diameter of the caps increases from 100 to 300 nm, additional oscillation modes appear in agreement with dynamic micromagnetic simulations. In addition, we show that the three-dimensional curvature of the cap causes a much greater sensitivity to the applied field angle which provides an additional way for controlling the ultrafast response of nanomagnetic elements.

cond-mat.mtrl-sci↗

arXiv2013

Structural ordering driven anisotropic magnetoresistance, anomalous Hall resistance and its topological overtones in full-Heusler Co2MnSi thin films

We report the evolution of crystallographic structure, magnetic ordering and electronic transport in thin films of full-Heusler alloy Co$_2$MnSi deposited on (001) MgO with annealing temperatures ($T_A$). By increasing the $T_A$ from 300$^\circ$C to 600$^\circ$C, the film goes from a disordered nanocrystalline phase to $B2$ ordered and finally to the $L2_1$ ordered alloy. The saturation magnetic moment improves with structural ordering and approaches the Slater-Pauling value of $\approx 5.0 μ_B$ per formula unit for $T_A$ = 600$^\circ$C. At this stage the films are soft magnets with coercive and saturation fields as low as $\approx$ 7 mT and 350 mT, respectively. Remarkable effects of improved structural order are also seen in longitudinal resistivity ($ρ_{xx}$) and residual resistivity ratio. A model based upon electronic transparency of grain boundaries illucidates the transition from a state of negative $dρ/dT$ to positive $dρ/dT$ with improved structural order. The Hall resistivity ($ρ_{xy}$) derives contribution from the normal scattering of charge carriers in external magnetic field, the anomalous effect originating from built-in magnetization and a small but distinct topological Hall effect in the disordered phase. The carrier concentration ($n$) and mobility ($μ$) have been extracted from the high field $ρ_{xy}$ data. The highly ordered films are characterized by $n$ and $μ$ of 1.19$\times$ 10$^{29}$ m$^{-3}$ and 0.4 cm$^2V^{-1}s^{-1}$ at room temperature. The dependence of $ρ_{xy}$ on $ρ_{xx}$ indicates the dominance of skew scattering in our films, which shows a monotonic drop on raising the $T_A$. The topological Hall effect is analyzed for the films annealed at 300$^\circ$C. ......

cond-mat.mtrl-sci↗

arXiv2013

Understanding polarization vs. charge dynamics effects in ferroelectric-carbon nanotube devices

To optimize the performance of multifunctional carbon nanotube-ferroelectric devices, it is necessary to understand both the polarization and charge dynamics effects on their transconductance. Directly comparing ferroelectric Pb(Zr0.2Ti0.8)O3 and dielectric SrTiO3 field effect transistors, we show that the two effects strongly compete, with transient charge dynamics initially masking up to 40% of the ferroelectric field effect. For applications, it is therefore crucial to maximize the quality of the ferroelectric film and the interface with the carbon nanotube to take full advantage of the switchable polarization.

cond-mat.mes-hall↗

arXiv2013

Coherent monochromatic phonons in highly-purified semiconducting single-wall carbon nanotubes

We have used a femtosecond pump-probe impulsive Raman technique to explore the polarization dependence of coherent optical phonons in highly-purified and aligned semiconducting single-wall carbon nanotubes (SWCNTs). Coherent phonon spectra for the radial breathing modes (RBMs) exhibit a different monochromatic frequency between the film and solution samples, indicating the presence of differing exciton excitation processes. By varying the polarization of the incident pump beam on the aligned SWCNT film, we found that the anisotropy of the coherent RBM excitation depends on the laser wavelength, which we consider to be associated with the resonant and off-resonant behavior of RBM excitation.

cond-mat.mes-hall↗

arXiv2013

Comparison of density functionals for nitrogen impurities in ZnO

Hybrid functionals and empirical correction schemes are compared to conventional semi-local density functional theory (DFT) calculations in order to assess the predictive power of these methods concerning the formation energy and the charge transfer level of impurities in the wide-gap semiconductor ZnO. While the generalized gradient approximation fails to describe the electronic structure of the N impurity in ZnO correctly, methods that widen the band gap of ZnO by introducing additional non-local potentials yield the formation energy and charge transfer level of the impurity in reasonable agreement with hybrid functional calculations. Summarizing the results obtained with different methods, we corroborate earlier findings that the formation of substitutional N impurities at the oxygen site in ZnO from N atoms is most likely slightly endothermic under oxygen-rich preparation conditions, and introduces a deep level more than 1eV above the valence band edge of ZnO. Moreover, the comparison of methods elucidates subtle differences in the predicted electronic structure, e.g. concerning the orientation of unoccupied orbitals in the crystal field and the stability of the charged triplet state of the N impurity. Further experimental or theoretical analysis of these features could provide useful tests for validating the performance of DFT methods in their application to defects in wide-gap materials.

cond-mat.mtrl-sci↗

arXiv2013

Growth diagram of La0.7Sr0.3MnO3 thin films using pulsed laser deposition

An experimental study was conducted on controlling the growth mode of La0.7Sr0.3MnO3 thin films on SrTiO3 substrates using pulsed laser deposition (PLD) by tuning growth temperature, pressure and laser fluence. Different thin film morphology, crystallinity and stoichiometry have been observed depending on growth parameters. To understand the microscopic origin, the adatom nucleation, step advance processes and their relationship to film growth were theoretically analyzed and a growth diagram was constructed. Three boundaries between highly and poorly crystallized growth, 2D and 3D growth, stoichiometric and non-stoichiometric growth were identified in the growth diagram. A good fit of our experimental observation with the growth diagram was found. This case study demonstrates that a more comprehensive understanding of the growth mode in PLD is possible.

cond-mat.mtrl-sci↗

arXiv2013

Theoretical study on copper's energetics and magnetism in TiO2 polymorphs

We carried out density functional theory calculations to model the electronic structure and the magnetic interactions in copper doped anatase and rutile titanium dioxide in order to shed light on the potential of these systems as magnetic oxides using different density functional schemes. In both polymorphs copper dopant was found to be most stable in substitutional lattice positions. Ferromagnetism is predicted to be stable well above room temperature with long range interactions prevailing in the anatase phase while the rutile phase exhibits only short range superexchange interaction among nearest neighbouring Cu ions. Additionally, energetic evaluation of dopants in scattered and compact configurations reveals a dopant clustering tendency in anatase TiO2.

cond-mat.mtrl-sci↗

arXiv2013

Quantitative magnetic imaging at the nanometer scale by ballistic electron magnetic microscopy

We demonstrate quantitative ballistic electron magnetic microscopy (BEMM) imaging of simple model Fe(001) nanostructures. We use in situ nanostencil shadow mask resistless patterning combined with molecular beam epitaxy deposition to prepare under ultra-high vacuum conditions nanostructured epitaxial Fe/Au/Fe/GaAs(001) spin-valves. In this epitaxial system, the magnetization of the bottom Fe/GaAs(001) electrode is parallel to the [110] direction, defining accurately the analysis direction for the BEMM experiments. The large hot-electron magnetoresistance of the Fe/Au/Fe/GaAs(001) epitaxial spin-valve allows us to image various stable magnetic configurations on the as-grown Fe(001) microstructures with a high sensitivity, even for small misalignments of both magnetic electrodes. The angular dependence of the hot-electron magnetocurrent is used to convert magnetization maps calculated by micromagnetic simulations into simulated BEMM images. The calculated BEMM images and magnetization rotation profiles show quantitative agreement with experiments and allow us to investigate the magnetic phase diagram of these model Fe(001) microstructures. Finally, magnetic domain reversals are observed under high current density pulses. This opens the way for further BEMM investigations of current-induced magnetization dynamics.

cond-mat.mtrl-sci↗

arXiv2013

Non-polar (11-20) InGaN quantum dots with short exciton lifetimes grown by metal-organic vapor phase epitaxy

We report on the optical characterization of non-polar a-plane InGaN quantum dots (QDs) grown by metal-organic vapor phase epitaxy using a short nitrogen anneal treatment at the growth temperature. Spatial and spectral mapping of sub-surface QDs have been achieved by cathodoluminescence at 8 K. Microphotoluminescence studies of the QDs reveal resolution limited sharp peaks with typical linewidth of 1 meV at 4.2 K. Time-resolved photoluminescence studies suggest the excitons in these QDs have a typical lifetime of 538 ps, much shorter than that of the c-plane QDs, which is strong evidence of the significant suppression of the internal electric fields.

cond-mat.mtrl-sci↗

arXiv2013

Growth and electrical characterization of Al0.24Ga0.76As/AlxGa1-xAs/Al0.24Ga0.76As modulation-doped quantum wells with extremely low x

We report on the growth and electrical characterization of modulation-doped Al0.24Ga0.76As/AlxGa1-xAs/Al0.24Ga0.76As quantum wells with mole fractions as low as x=0.00057. Such structures will permit detailed studies of the impact of alloy disorder in the fractional quantum Hall regime. At zero magnetic field, we extract an alloy scattering rate of 24 ns-1 per %Al. Additionally we find that for x as low as 0.00057 in the quantum well, alloy scattering becomes the dominant mobility-limiting scattering mechanism in ultra-high purity two-dimensional electron gases typically used to study the fragile nu=5/2 and nu=12/5 fractional quantum Hall states.

cond-mat.mes-hall↗

arXiv2013

Excited-state potential-energy surfaces of metal-adsorbed organic molecules from Linear Expansion Δ-Self-Consistent Field Density-Functional Theory (ΔSCF-DFT)

Accurate and efficient simulation of excited state properties is an important and much aspired cornerstone in the study of adsorbate dynamics on metal surfaces. To this end, the recently proposed linear expansion ΔSelf-Consistent Field (leΔSCF) method by Gavnholt et al. [Phys. Rev. B 78, 075441 (2008)] presents an efficient alternative to time consuming quasi-particle calculations. In this method the standard Kohn-Sham equations of Density-Functional Theory are solved with the constraint of a non-equilibrium occupation in a region of Hilbert-space resembling gas-phase orbitals of the adsorbate. In this work we discuss the applicability of this method for the excited-state dynamics of metal-surface mounted organic adsorbates, specifically in the context of molecular switching. We present necessary advancements to allow for a consistent quality description of excited-state potential-energy surfaces (PESs), and illustrate the concept with the application to Azobenzene adsorbed on Ag(111) and Au(111) surfaces. We find that the explicit inclusion of substrate electronic states modifies the topologies of intra-molecular excited-state PESs of the molecule due to image charge and hybridization effects. While the molecule in gas phase shows a clear energetic separation of resonances that induce isomerization and backreaction, the surface-adsorbed molecule does not. The concomitant possibly simultaneous induction of both processes would lead to a significantly reduced switching efficiency of such a mechanism.

cond-mat.mtrl-sci↗