Showing 2013 · cond-mat.mtrl-sciShow all

19 papers · 2 filters

cond-mat.mtrl-sci2013★ 19 cited

Structural determination and electronic properties of 4d perovskite SrPdO3

Jiangang He, Cesare Franchini

The structure and ground state electronic structure of the recently synthesized SrPdO perovskite [A. Galal {\em et al.}, J. Power Sources, {\bf 195}, 3806 (2010)] have been stu…

cond-mat.mtrl-sci2013★ 110 cited

Localized excited charge carriers generate ultrafast inhomogeneous strain in the multiferroic BiFeO

D. Schick, M. Herzog, H. Wen +7

We apply ultrafast X-ray diffraction with femtosecond temporal resolution to monitor the lattice dynamics in a thin film of multiferroic BiFeO after above-bandgap photoexcitati…

cond-mat.mtrl-sci2013★ 81 cited

Prediction of high frequency intrinsic localized modes in Ni and Nb

M. Haas, V. Hizhnyakov, A. Shelkan +2

It is found that in some metals an intrinsic localized mode may exist with frequency above the top of the phonon spectrum. The necessary condition, requiring sufficiently high rati…

cond-mat.mtrl-sci2013★ 57 cited

Transient absorption and photocurrent microscopy show hot electron supercollisions describe the rate-limiting relaxation step in graphene

Matt W. Graham, Su-Fei Shi, Zenghui Wang +3

Using transient absorption (TA) microscopy as a hot electron thermometer we show disorder-assisted acoustic-phonon supercollisions (SCs) best describes the rate-limiting relaxation…

cond-mat.mtrl-sci2013★ 3.1k cited

Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways

Kiran Mathew, Ravishankar Sundararaman, Kendra Letchworth-Weaver +2

Solid-liquid interfaces are at the heart of many modern-day technologies and provide a challenge to many materials simulation methods. A realistic first-principles computational st…

cond-mat.mtrl-sci2013★ 63 cited

Epitaxial Growth of VO by Periodic Annealing

J. W. Tashman, J. H. Lee, H. Paik +9

We report the growth of ultrathin VO films on rutile TiO (001) substrates via reactive molecular-beam epitaxy. The films were formed by the cyclical deposition of amorp…

cond-mat.mtrl-sci2013★ 44 cited

Thermally populated intrinsic localized modes in pure alkali halide crystals

A. J. Sievers, M. Sato, J. B. Page +1

The possibility of thermal excitation of intrinsic localized modes (ILMs) arising from anharmonicity in ionic perfect crystals is studied numerically for realistic model systems in…

cond-mat.mtrl-sci2013★ 23 cited

Structural control of magnetic anisotropy in a strain driven multiferroic EuTiO3 thin film

X. Ke, T. Birol, R. Misra +5

Octahedral distortion plays a key role in engineering the physical properties of heterostructures composed of perovskite oxides. We observe a strong in-plane uniaxial magnetic anis…

cond-mat.mtrl-sci2013★ 30 cited

Hetero-epitaxial EuO Interfaces Studied by Analytic Electron Microscopy

Julia A. Mundy, Daniel Hodash, Alexander Melville +6

With nearly complete spin polarization, the ferromagnetic semiconductor europium monoxide could enable next-generation spintronic devices by providing efficient ohmic spin injectio…

cond-mat.mtrl-sci2013★ 56 cited

Control of Propagating Spin Waves via Spin Transfer Torque in a Metallic Bilayer Waveguide

Kyongmo An, Daniel R. Birt, Chi-Feng Pai +4

We investigate the effect of a direct current on propagating spin waves in a CoFeB/Ta bilayer structure. Using the micro-Brillouin light scattering technique, we observe that the s…

cond-mat.mtrl-sci2013

Why Are There So Few Perovskite Ferroelectrics?

Nicole A. Benedek, Craig J. Fennie

We use a combination of symmetry arguments and first-principles calculations to explore the connection between structural distortions and ferroelectricity in the perovskite family…

cond-mat.mtrl-sci2013★ 23 cited

Graphene Metallization of High-Stress Silicon Nitride Resonators for Electrical Integration

Sunwoo Lee, Vivekananda P. Adiga, Robert A. Barton +7

High stress stoichiometric silicon nitride resonators, whose quality factors exceed one million, have shown promise for applications in sensing and signal processing. Yet, electric…

cond-mat.mtrl-sci2013★ 50 cited

Origin of giant spin-lattice coupling and the suppression of ferroelectricity in EuTiO3 from first principles

Turan Birol, Craig J. Fennie

We elucidate the microscopic mechanism that causes a suppression of ferroelectricity and an enhancement of octahedral rotations in EuTiO3 from first principles. We find that the hy…

cond-mat.mtrl-sci2013★ 28 cited

Growth and Investigation of Nd_{1-x}Sm_{x}ScO_{3} and Sm_{1-x}Gd_{x}ScO_{3} Solid-Solution Single Crystals

R. Uecker, D. Klimm, R. Bertram +6

The pseudo-cubic lattice parameters of rare-earth (RE) scandate, REScO3, single crystals grown by the Czochralski technique with RE=Dy to Pr lie between about 3.95 and 4.02 Angstro…

cond-mat.mtrl-sci2013★ 219 cited

LaAlO3 stoichiometry found key to electron liquid formation at LaAlO3/SrTiO3 interfaces

M. P. Warusawithana, C. Richter, J. A. Mundy +17

Emergent phenomena, including superconductivity and magnetism, found in the two-dimensional electron liquid (2-DEL) at the interface between the insulators LaAlO3 and SrTiO3 distin…

cond-mat.mtrl-sci2013★ 165 cited

Ideal regularization of the Coulomb singularity in exact exchange by Wigner-Seitz truncated interactions: towards chemical accuracy in non-trivial systems

Ravishankar Sundararaman, T. A. Arias

Hybrid density functionals show great promise for chemically-accurate first principles calculations, but their high computational cost limits their application in non-trivial studi…

cond-mat.mtrl-sci2013★ 225 cited

Bulk magnetoelectricity in the hexagonal manganites and ferrites

Hena Das, Aleksander L. Wysocki, Yanan Geng +2

Improper ferroelectricity (trimerization) in the hexagonal manganites RMnO leads to a network of coupled structural and magnetic vortices that induce domain wall magnetoelectri…

cond-mat.mtrl-sci2013★ 227 cited

The importance of nonlinear fluid response in joint density-functional theory studies of battery systems

Deniz Gunceler, Kendra Letchworth-Weaver, Ravishankar Sundararaman +2

Delivering the full benefits of first principles calculations to battery materials demands the development of accurate and computationally-efficient electronic structure methods th…

cond-mat.mtrl-sci2013★ 2.2k cited

Grains and grain boundaries in highly crystalline monolayer molybdenum disulfide

Arend M. van der Zande, Pinshane Y. Huang, Daniel A. Chenet +7

Recent progress in large-area synthesis of monolayer molybdenum disulfide, a new two-dimensional direct-bandgap semiconductor, is paving the way for applications in atomically thin…