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Showing 2012 · cond-mat.mtrl-sciShow all

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cond-mat.mtrl-sci2012★ 10 cited

High-temperature structural phase transition in multiferroic LiCu_2O_2

S. A. Ivanov, A. A. Bush, K. E. Kamentsev +4

LiCu_2O_2 single crystals were studied in the temperature range 300-1100 K by means of heating-cooling curves of differential thermal analysis (DTA), thermogravimetry (TG), X-ray p…

cond-mat.mtrl-sci2012★ 61 cited

Density functional theory study of the electronic structure of fluorite CuSe

Mikael Råsander, Lars Bergqvist, Anna Delin

We have investigated the electronic structure of fluorite CuSe using density functional theory calculations within the LDA, PBE and AM05 approximations as well as with the no…

cond-mat.mtrl-sci2012★ 299 cited

Single-layer MoS2 as efficient photocatalyst

Yunguo Li, Yan-ling Li, Carlos Moyses Araujo +2

The potential application of the single-layer MoS2 as photocatalyst was revealed in this work based on first-principles calculations. It is found that the pristine single-layer MoS…

cond-mat.mtrl-sci2012★ 61 cited

Atomistic spin dynamics of low-dimensional magnets

Lars Bergqvist, Andrea Taroni, Anders Bergman +2

We investigate the magnetic properties of a range of low-dimensional ferromagnets using a combination of first-principles calculations and atomistic spin dynamics simulations. This…

cond-mat.mtrl-sci2012★ 25 cited

Interface characterization of Co2MnGe/Rh2CuSn Heusler multilayers

Ronny Knut, Peter Svedlindh, Klas Gunnarsson +10

All-Heusler multilayer structures have been investigated by means of high kinetic x-ray photoelectron spectroscopy and x-ray magnetic circular dichroism, aiming to address the amou…

cond-mat.mtrl-sci2012★ 9 cited

Accelerating the switching of logical units by anisotropy driven magnetization dynamics

Corina Etz, Marcio Costa, Olle Eriksson +1

In this work the magnetization dynamics of clusters supported on non-magnetic substrates is shown to exhibit an unprecedented complex response when subjected to external magnetic f…

cond-mat.mtrl-sci2012★ 43 cited

A microscopic model for ultrafast remagnetization dynamics

Raghuveer Chimata, Anders Bergman, Lars Bergqvist +2

In this letter, we provide a microscopic model for the ultrafast remagnetization of atomic moments already quenched above Stoner-Curie temperature by a strong laser fluence. Combin…

cond-mat.mtrl-sci2012★ 74 cited

Graphene as a reversible spin manipulator of molecular magnets

Sumanta Bhandary, Saurabh Ghosh, Heike Herper +3

One of the primary objectives in molecular nano-spintronics is to manipulate the spin states of organic molecules with a d-electron center, by suitable external means. In this lett…

cond-mat.mtrl-sci2012★ 18 cited

A new first principles approach to calculate phonon spectra of disordered alloys

Oscar Grånäs, Biswanath Dutta, Subhradip Ghosh +1

The lattice dynamics in substitutional disordered alloys with constituents having large size differences is driven by strong disorder in masses, inter-atomic force constants and lo…

cond-mat.mtrl-sci2012★ 15 cited

A first principles study of magnetism in PdFe under pressure

Biswanath Dutta, Sumanta Bhandary, Subhradip Ghosh +1

Recent experiments on PdFe intermetallics [Phys. Rev. Lett. 102, 237202 (2009)] have revealed that the system behaves like a classical invar alloy under high pressure. The ex…

cond-mat.mtrl-sci2012★ 18 cited

One particle spectral function and analytic continuation for many-body implementation in the EMTO method

A. Östlin, L. Chioncel, L. Vitos

We investigate one of the most common analytic continuation techniques in condensed matter physics, namely the Padé approximant. Aspects concerning its implementation in the exact…

cond-mat.mtrl-sci2012★ 10 cited

The anti-ordinary Hall effect in NiPt thin films

Taras Golod, Andreas Rydh, Peter Svedlindh +1

We study the anomalous Hall effect in binary alloys between the group-10 elements Ni and Pt. It is observed that the ordinary Hall effect is negative (electron-like) at any composi…

cond-mat.mtrl-sci2012★ 42 cited

Preparation, structural, dielectric and magnetic properties of LaFeO3-PbTiO3 solid solutions

S. A. Ivanov, R. Tellgren, F. Porcher +7

Solid solutions of (1-x)LaFeO3-(x)PbTiO3 (0<x<1) have been prepared by conventional solid-state reaction. These complex perovskites have been studied by means of X-ray (XRPD) and n…

cond-mat.mtrl-sci2012★ 8 cited

Strain-induced stabilization of Al functionalization in graphene oxide nanosheet for enhanced NH3 storage

Yunguo Li, Abir De Sarkar, Biswarup Pathak +1

Strain effects on the stabilization of Al ad-atom on graphene oxide(GO)nanosheet as well as its implications for NH3 storage have been investigated using first-principles calculati…

cond-mat.mtrl-sci2012★ 14 cited

Polylithiated (OLi2) functionalized graphane as a potential hydrogen storage material

Tanveer Hussain, Tuhina Adit Maark, Abir De Sarkar +1

Hydrogen storage capacity, stability, bonding mechanism and the electronic structure of polylithiated molecules (OLi2) functionalized graphane (CH) has been studied by means of fir…

cond-mat.mtrl-sci2012★ 80 cited

Strain induced lithium functionalized graphane as a high capacity hydrogen storage material

Tanveer Hussain, Abir De Sarkar, Rajeev Ahuja

Strain effects on the stability, electronic structure, and hydrogen storage capacity of lithium-doped graphane (CHLi) have been investigated by stateof-the art first principle dens…

cond-mat.mtrl-sci2012★ 22 cited

Influence of the magnetic field on the plasmonic properties of transparent Ni anti-dot arrays

Emil Melander, Erik Östman, Janine Keller +8

Extraordinary optical transmission is observed due to the excitation of surface plasmon polaritons (SPPs) in 2-Dimensional hexagonal anti-dot patterns of pure Ni thin films, grown…

cond-mat.mtrl-sci2012★ 21 cited

Finite-size effects in amorphous Fe90Zr10/Al75Zr25 multilayers

P. T. Korelis, P. E. Jönsson, A. Liebig +3

The thickness dependence of the magnetic properties of amorphous Fe90Zr10 layers has been explored using Fe90Zr10/Al75Zr25 multilayers. The Al75Zr25 layer thickness is kept at 40 Å…

cond-mat.mtrl-sci2012★ 15 cited

Hybrid density functional study of electronic and optical properties of phase change memory material:

T. Kaewmaraya, M. Ramzan, 1 H. Löfås +1

In this article, we use hybrid density functional (HSE06) to study the crystal and electronic structures and optical properties of well known phase change memory material $\mathrm{…

cond-mat.mtrl-sci2012★ 25 cited

Surface oxide on thin films of yttrium hydride studied by neutron reflectometry

Trygve Mongstad, Charlotte Platzer-Björkman, Jan Petter Mæhlen +3

The applicability of standard methods for compositional analysis is limited for H-containing films. Neutron reflectometry is a powerful, non-destructive method that is especially s…

cond-mat.mtrl-sci2012★ 29 cited

Signature of an antiferromagnetic metallic ground state in heavily electron doped Sr2FeMoO6

Somnath Jana, Carlo Meneghini, Prabuddha Sanyal +4

SrFeMoO is a double perovskite compound, known for its high temperature behavior. Combining different magnetic and spectroscopic tools, we show that this compound can be…

cond-mat.mtrl-sci2012★ 29 cited

On the large magnetic anisotropy of Fe_{2}P

Marcio Costa, Oscar Grånäs, Anders Bergman +4

We present an investigation on the large magnetic anisotropy of Fe_{2}P, based on {\it Ab Initio} density-functional theory calculations, with a full potential linear muffin-tin or…

cond-mat.mtrl-sci2012★ 15 cited

MgyNi1-y(Hx) thin films deposited by magnetron co-sputtering

Trygve Mongstad, Chang C. You, Annett Thøgersen +4

In this work we have synthesised thin films of MgyNi1-y(Hx) metal and metal hydride with y between 0 and 1. The films are deposited by magnetron co-sputtering of metallic targets o…

cond-mat.mtrl-sci2012★ 23 cited

Magnetostructural study of the (Mn,Fe)3(P,Si) system

J. V. Leitão, You Xinmin, L. Caron +1

Using X-ray diffraction, DSC and magnetization measurements, a magnoestructural map of the (Mn,Fe)3(Si,P) system was assembled and reported in the current paper. Besides the alread…