Showing 2010 · cond-mat.mtrl-sciShow all

16 papers · 2 filters

cond-mat.mtrl-sci2010★ 45 cited

Pressure-Induced Structure Transitions in Eu Metal to 92 GPa

W. Bi, Y. Meng, R. S. Kumar +6

Synchrotron x-ray diffraction experiments have been carried out on Eu metal at ambient temperature to pressures as high as 92 GPa (0.92 Mbar). Following the well-known bcc-to-hcp t…

cond-mat.mtrl-sci2010★ 313 cited

Pt-Decorated PdCo@Pd/C Core-Shell Nanoparticles with Enhanced Stability and Electrocatalytic Activity for Oxygen Reduction Reaction

Deli Wang, Huolin L. Xin, Yingchao Yu +4

A simple method for the preparation of PdCo@Pd core-shell nanoparticles supported on carbon has been developed using an adsorbate-induced surface segregation effect. The stability…

cond-mat.mtrl-sci2010★ 28 cited

Optical Properties of (SrMnO3)n/(LaMnO3)2n superlattices: an insulator-to-metal transition observed in the absence of disorder

A. Perucchi, L. Baldassarre, A. Nucara +6

We measure the optical conductivity of (SrMnO3)n/(LaMnO3)2n superlattices (SL) for n=1,3,5, and 8 and 10 < T < 400 K. Data show a T-dependent insulator to metal transition (IMT) fo…

cond-mat.mtrl-sci2010★ 2 cited

Mass coupling and ^3$He in a torsion pendulum

R. G. Bennett, N. Zhelev, A. D. Fefferman +5

We present results of the and period shift, , for He confined in a 98% nominal open aerogel on a torsion pendulum. The aerogel is compressed uniaxially by 10% alon…

cond-mat.mtrl-sci2010★ 50 cited

Extended Depth of Field for High Resolution Scanning Transmission Electron Microscopy

Robert Hovden, Huolin L. Xin, David A. Muller

Aberration-corrected scanning transmission electron microscopes (STEM) provide sub-angstrom lateral resolution; however, the large convergence angle greatly reduces the depth of fi…

cond-mat.mtrl-sci2010

Coherent soft-mode phonon generation and detection in ultrathin SrTiO3 grown directly on silicon

Cheng Cen, Maitri P. Warusawithana, Darrell G. Schlom +1

Time-resolved two color pump-probe polarization spectroscopy was performed at room temperature on SrTiO3 films grown directly on Si with film thickness varying from 2 nm to 7.8 nm.…

cond-mat.mtrl-sci2010★ 13 cited

Quantum transport in mesoscopic He films: experimental study of the interference of bulk and boundary scattering

P. Sharma, A. Córcoles, R. G. Bennett +4

We discuss the mass transport of a degenerate Fermi liquid He film over a rough surface, and the film momentum relaxation time, in the framework of theoretical predictions. In…

cond-mat.mtrl-sci2010★ 2k cited

Imaging Grains and Grain Boundaries in Single-Layer Graphene: An Atomic Patchwork Quilt

Pinshane Y. Huang, Carlos S. Ruiz-Vargas, Arend M. van der Zande +8

The properties of polycrystalline materials are often dominated by the size of their grains and by the atomic structure of their grain boundaries. These effects should be especiall…

cond-mat.mtrl-sci2010★ 5 cited

The structure, energy, and electronic states of vacancies in Ge nanocrystals

Kenneth Bayus, O. Paz, S. P. Beckman

The atomic structure, energy of formation, and electronic states of vacancies in H-passivated Ge nanocrystals are studied by density functional theory (DFT) methods. The competitio…

cond-mat.mtrl-sci2010★ 24 cited

Recovering magnetization distributions from their noisy diffraction data

Ne-Te Duane Loh, Stefan Eisebitt, Samuel Flewett +1

We study, using simulated experiments inspired by thin film magnetic domain patterns, the feasibility of phase retrieval in X-ray diffractive imaging in the presence of intrinsic c…

cond-mat.mtrl-sci2010★ 38 cited

Accuracy of Quantum Monte Carlo Methods for Point Defects in Solids

William D. Parker, John W. Wilkins, Richard G. Hennig

Quantum Monte Carlo approaches such as the diffusion Monte Carlo (DMC) method are among the most accurate many-body methods for extended systems. Their scaling makes them well suit…

cond-mat.mtrl-sci2010★ 75 cited

Phase transformation in Si from semiconducting diamond to metallic beta-Sn phase in QMC and DFT under hydrostatic and anisotropic stress

R. G. Hennig, A. Wadehra, K. P. Driver +3

Silicon undergoes a phase transition from the semiconducting diamond phase to the metallic beta-Sn phase under pressure. We use quantum Monte Carlo calculations to predict the tran…

cond-mat.mtrl-sci2010★ 16 cited

Basis set construction for molecular electronic structure theory: Natural orbital and Gauss-Slater basis for smooth pseudpotentials

F. R. Petruzielo, Julien Toulouse, C. J. Umrigar

A simple yet general method for constructing basis sets for molecular electronic structure calculations is presented. These basis sets consist of atomic natural orbitals from a mul…

cond-mat.mtrl-sci2010★ 73 cited

Si-compatible candidates for high-K dielectrics with the Pbnm perovskite structure

Sinisa Coh, Tassilo Heeg, J. H. Haeni +9

We analyze both experimentally (where possible) and theoretically from first-principles the dielectric tensor components and crystal structure of five classes of Pbnm perovskites.…

cond-mat.mtrl-sci2010★ 48 cited

Bending crystals: Emergence of fractal dislocation structures

Yong S. Chen, Woosong Choi, Stefanos Papanikolaou +1

We provide a minimal continuum model for mesoscale plasticity, explaining the cellular dislocation structures observed in deformed crystals. Our dislocation density tensor evolves…

cond-mat.mtrl-sci2010★ 58 cited

Atomic displacements in the "charge-ice" pyrochlore Bi2Ti2O7 studied by neutron total scattering

D. P. Shoemaker, A. L. Hector, C. J. Fennie +3

The oxide pyrochlore BiTiOO is known to be associated with large displacements of Bi and O atoms from their ideal crystallographic positions. Neutron…