Showing 2009 · cond-mat.mtrl-sciShow all

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cond-mat.mtrl-sci2009★ 63 cited

Finite size and intrinsic field effect on the polar-active properties of the ferroelectric-semiconductor heterostructures

A. N. Morozovska, E. A. Eliseev, S. V. Svechnikov +4

Using Landau-Ginzburg-Devonshire approach we calculated the equilibrium distributions of electric field, polarization and space charge in the ferroelectric-semiconductor heterostru…

cond-mat.mtrl-sci2009★ 31 cited

Non-Collinear Magnetic Phases of a Triangular-Lattice Antiferromagnet and Doped CuFeO

Randy S. Fishman, Satoshi Okamoto

We obtain the non-collinear ground states of a triangular-lattice antiferromagnet with exchange interactions up to third nearest neighbors as a function of the single-ion anisotrop…

cond-mat.mtrl-sci2009★ 4 cited

Depth-dependent ordering, two-length-scale phenomena and crossover behavior in a crystal featuring a skin-layer with defects

Charo I. Del Genio, Kevin E. Bassler, Aleksandr L. Korzhenevskii +4

Structural defects in a crystal are responsible for the "two length-scale" behavior, in which a sharp central peak is superimposed over a broad peak in critical diffuse X-ray scatt…

cond-mat.mtrl-sci2009★ 9 cited

Adsorbate-induced Restructuring of Pb mesas Grown on Vicinal Si(111) in the Quantum Regime

Alexander Ako Khajetoorians, Wenguang Zhu, Jisun Kim +4

Using scanning tunneling microscopy and spectroscopy, we demonstrate that the adsorption of a minute amount of Cs on a Pb mesa grown in the quantum regime can induce dramatic morph…

cond-mat.mtrl-sci2009★ 27 cited

Investigation of Gd3N@C2n (40 < n < 44) family by Raman and inelastic electron tunneling spectroscopy

Brian G. Burke, Jack Chan, Keith A. Williams +7

The structure and vibrational spectrum of Gd3N@C80 is studied through Raman and inelastic electron tunneling spectroscopy (IETS) as well as density functional theory (DFT) and univ…

cond-mat.mtrl-sci2009★ 68 cited

Raman study of Fano interference in p-type doped silicon

Brian G. Burke, Jack Chan, Keith A. Williams +3

As the silicon industry continues to push the limits of device dimensions, tools such as Raman spectroscopy are ideal to analyze and characterize the doped silicon channels. The ef…

cond-mat.mtrl-sci2009★ 153 cited

Exchange bias driven by the Dzyaloshinskii-Moriya interaction and ferroelectric polarization at G-type antiferromagnetic perovskite interfaces

Shuai Dong, Kunihiko Yamauchi, Seiji Yunoki +6

Exchange bias is usually rationalized invoking spin pinning effects caused by uncompensated antiferromagnetic interfaces. However, for compensated antiferromagnets other extrinsic…

cond-mat.mtrl-sci2009★ 81 cited

Pyroelectric response of ferroelectric nanoparticles: size effect and electric energy harvesting

A. N. Morozovska, E. A. Eliseev, G. S. Svechnikov +1

The size effect on pyroelectric response of ferroelectric nanowires and nanotubes is analyzed. The pyroelectric coefficient strongly increases with the wire radius decrease and div…

cond-mat.mtrl-sci2009★ 66 cited

Magnetic doping of a thiolated-gold superatom

De-en Jiang, Robert L. Whetten

The Au25(SR)18- cluster is a new member in the superatom family which features a centered icosahedral shell (Au13) protected by six RS(AuSR)2 motifs (RS- being a alkylthiolate grou…

cond-mat.mtrl-sci2009★ 22 cited

A Fast and Efficient Algorithm for Slater Determinant Updates in Quantum Monte Carlo Simulations

Phani K. V. V. Nukala, P. R. C. Kent

We present an efficient low-rank updating algorithm for updating the trial wavefunctions used in Quantum Monte Carlo (QMC) simulations. The algorithm is based on low-rank updating…

cond-mat.mtrl-sci2009★ 69 cited

Surface Geometric and Electronic Structure of BaFe2As2(001)

V. B. Nascimento, Ang Li, Dilushan R. Jayasundara +15

BaFe2As2 exhibits properties characteristic of the parent compounds of the newly discovered iron (Fe)-based high-TC superconductors. By combining the real space imaging of scanning…

cond-mat.mtrl-sci2009★ 30 cited

Strain-coupled ferroelectric polarization in BaTiO3-CaTiO3 superlattices

Sung Seok A. Seo, Ho Nyung Lee

We report on growth and ferroelectric (FE) properties of superlattices (SLs) composed of the FE BaTiO3 and the paraelectric (PE) CaTiO3. Previous theories have predicted that the p…

cond-mat.mtrl-sci2009★ 10 cited

Giant Antiferromagnetically Coupled Moments in a Molecule-Based Magnet with Interpenetrating Lattices

Randy S. Fishman, Satoshi Okamoto, William W. Shum +1

The molecule-based magnet [Ru(OCMe)][Cr(CN)] contains two weakly-coupled, interpenetrating sublattices in a body-centered cubic structure. Although the field-de…

cond-mat.mtrl-sci2009★ 74 cited

Structural phase transitions and fundamental band gaps of Mg(x)Zn(1-x)O alloys from first principles

I. V. Maznichenko, A. Ernst, M. Bouhassoune +8

The structural phase transitions and the fundamental band gaps of Mg(x)Zn(1-x)O alloys are investigated by detailed first-principles calculations in the entire range of Mg concentr…

cond-mat.mtrl-sci2009★ 45 cited

Optimization of Mn Doping in Group-IV-based Dilute Magnetic Semiconductors by Electronic Co-dopants

Hua Chen, Wenguang Zhu, Efthimios Kaxiras +1

The percentage of substitutional doping of magnetic atoms (Mn) in group-IV-based dilute magnetic semiconductors (DMS) can be increased by co-doping with another conventional electr…

cond-mat.mtrl-sci2009★ 2 cited

Depth-dependent critical behavior in V2H

Charo I. Del Genio, Johann Trenkler, Kevin E. Bassler +5

Using X-ray diffuse scattering, we investigate the critical behavior of an order-disorder phase transition in a defective "skin-layer" of V2H. In the skin-layer, there exist walls…

cond-mat.mtrl-sci2009★ 199 cited

Nonlinear Dynamics of Domain Wall Propagation in Epitaxial Ferroelectric Thin Films

J. Y. Jo, S. M. Yang, T. H. Kim +6

We investigated the ferroelectric domain wall propagation in epitaxial Pb(Zr,Ti)O3 thin films over a wide temperature range (3 - 300 K). We measured the domain wall velocity under…

cond-mat.mtrl-sci2009★ 65 cited

Size effects in statistical fracture

Mikko J. Alava, Phani K. V. V. Nukala, Stefano Zapperi

We review statistical theories and numerical methods employed to consider the sample size dependence of the failure strength distribution of disordered materials. We first overview…

cond-mat.mtrl-sci2009★ 129 cited

Electronic structure and Magnetism in BaMnAs and BaMnSb

J. an, A. S. Sefat, D. J. Singh +1

We study the properties of ThCrSi structure BaMnAs and BaMnSb using density functional calculations of the electronic and magnetic as well experimental meas…

cond-mat.mtrl-sci2009★ 37 cited

Enhancing piezoelectricity through polarization-strain coupling in ferroelectric superlattices

Valentino R. Cooper, Karin M. Rabe

Short period ferroelectric/ferroelectric BaTiO3 (BTO)/PbTiO3 (PTO) superlattices are studied using density functional theory. Contrary to the trends in paraelectric/ferroelectric s…

cond-mat.mtrl-sci2009★ 119 cited

First principles study of the graphene/Ru(0001) interface

De-en Jiang, Mao-Hua Du, Sheng Dai

Annealing the Ru metal that typically contains residual carbon impurities offers a facile way to grow graphene on Ru(0001) at the macroscopic scale. Two superstructures of the grap…