Showing 2009 · cond-mat.mtrl-sciShow all

19 papers · 2 filters

cond-mat.mtrl-sci2009★ 57 cited

Mg/Ti multilayers: structural, optical and hydrogen absorption properties

A. Baldi, G. K. Palsson, M. Gonzalez-Silveira +11

Mg-Ti alloys have uncommon optical and hydrogen absorbing properties, originating from a "spinodal-like" microstructure with a small degree of chemical short-range order in the ato…

cond-mat.mtrl-sci2009★ 19 cited

Competing magnetic interactions in exchange bias modulated films

C. Hamann, B. P. Toperverg, K. Theis-Bröhl +5

The magnetization reversal in stripe-like exchange bias patterned thin films was investigated by complementary inductive and high resolution magneto optic…

cond-mat.mtrl-sci2009★ 31 cited

A polarizable interatomic force field for TiO parameterized using density functional theory

X. J. Han, L. Bergqvist, P. H. Dederichs +4

We report a classical interatomic force field for TiO, which has been parameterized using density functional theory forces, energies, and stresses in the rutile crystal structu…

cond-mat.mtrl-sci2009

Reciprocal and real space maps for EMCD experiments

Hans Lidbaum, Jan Rusz, Stefano Rubino +5

Electron magnetic chiral dichroism (EMCD) is an emerging tool for quantitative measurements of magnetic properties using the transmission electron microscope (TEM), with the possib…

cond-mat.mtrl-sci2009★ 9 cited

A novel wear-resistant magnetic thin film material based on a nanocomposite alloy

Stojanka Bijelovic, Mikael Råsander, Ola Wilhelmsson +5

In this study we report on the film growth and characterization of thin (approximately 50 nm thick) Ti-Fe-C films deposited on amorphous quartz. The experimental studies have been…

cond-mat.mtrl-sci2009★ 18 cited

Ab initio study of atomic ordering and spin-glass transition in dilute CuMn alloys

O. E. Peil, A. V. Ruban, B. Johansson

An archetypical spin-glass metallic alloy, Cu0.83Mn0.17, is studied by means of an ab-initio based approach. First-principles calculations are employed to obtain effective chemical…

cond-mat.mtrl-sci2009★ 70 cited

Influence of laser-excited electron distributions on the x-ray magnetic circular dichroism spectra: Implications for femtosecond demagnetization in Ni

K. Carva, D. Legut, P. M. Oppeneer

In pump-probe experiments an intensive laser pulse creates non-equilibrium excited electron distributions in the first few hundred femtoseconds after the pulse. The influence of no…

cond-mat.mtrl-sci2009★ 70 cited

Mild sonochemical exfoliation of bromine-intercalated graphite: a new route towards graphene

E. Widenkvist, D. W. Boukhvalov, S. Rubino +7

A method to produce suspensions of graphene sheets by combining solution-based bromine intercalation and mild sonochemical exfoliation is presented. Ultrasonic treatment of graphit…

cond-mat.mtrl-sci2009★ 71 cited

High pressure structural study of fluoro perovskite CsCdF3 upto 60 GPa: A combined experimental and theoretical study

G. Vaitheeswaran, V. Kanchana, Ravhi. S. Kumar +5

The structural behaviour of CsCdF3 under pressure is investigated by means of theory and experiment. High-pressure powder x-ray diffraction experiments were performed up to a maxim…

cond-mat.mtrl-sci2009★ 90 cited

Density functional study of elastic and vibrational properties of the Heusler-type alloys FeVAl and FeVGa

V. Kanchana, G. Vaitheeswaran, Yanming Ma +3

The structural and elastic properties as well as phonon-dispersion relations of the Heusler-type alloys FeVAl and FeVGa are computed using density-functional and density-fu…

cond-mat.mtrl-sci2009★ 170 cited

Molecular adsorption in graphene with divacancy defects

Biplab Sanyal, Olle Eriksson, Ulf Jansson +1

We have investigated theoretically the adsorption of molecules onto graphene with divacancy defects. Using ab-initio density functional calculations, we have found that O2, CO, N2,…

cond-mat.mtrl-sci2009★ 107 cited

Conductivity engineering of graphene by defect formation

S. H. M. Jafri, Karel Carva, Erika Widenkvist +10

Transport measurements have revealed several exotic electronic properties of graphene. The possibility to influence the electronic structure and hence control the conductivity by a…

cond-mat.mtrl-sci2009★ 44 cited

The making of ferromagnetic Fe doped ZnO nano-clusters

Nirmal Ganguli, Indra Dasgupta, Biplab Sanyal

In this letter, the authors present a study of the energetics and magnetic interactions in Fe doped ZnO clusters by ab-initio density functional calculations. The results indicate…

cond-mat.mtrl-sci2009★ 20 cited

A new material for hydrogen storage, ScAl0.8Mg0.2

Martin Sahlberg, Premysl Beran, Thomas Kollin Nielsen +6

A novel aluminium rich alloy for hydrogen storage has been discovered, ScAl0.8Mg0.2, which has superior properties regarding hydrogen storage capacity, kinetics and stability towar…

cond-mat.mtrl-sci2009★ 33 cited

Order--disorder induced magnetic structures of FeMnPSi

Matthias Hudl, Per Nordblad, Torbjörn Björkman +5

We report on the synthesis and structural characterization of the magnetocaloric FeMnPSi compound. Two types of samples (as quenched and annealed) were synthesize…

cond-mat.mtrl-sci2009★ 103 cited

Evolving properties of two dimensional materials, from graphene to graphite

Mattias Klintenberg, Sébastien Lebègue, Carlos Ortiz +2

We have studied theoretically, using density functional theory, several materials properties when going from one C layer in graphene to two and three g raphene layers and on to gra…

cond-mat.mtrl-sci2009★ 9 cited

Simulation of a spin-wave instability from atomistic spin dynamics

J. Hellsvik, B. Skubic, L. Nordström +1

We study the spin dynamics of a Heisenberg model at finite temperature in the presence of an external field or a uniaxial anisotropy. For the case of the uniaxial anisotropy our si…

cond-mat.mtrl-sci2009★ 321 cited

Accurate electronic band gap of pure and functionalized graphane from GW calculations

S. Lebegue, M. Klintenberg, O. Eriksson +1

Using the GW approximation, we study the electronic structure of the recently synthesized hydrogenated graphene, named graphane. For both conformations, the minimum band gap is fou…

cond-mat.mtrl-sci2009★ 8 cited

Landauer theory of ballistic torkances in non-collinear spin valves

K. Carva, I. Turek

We present a theory of voltage-induced spin-transfer torques in ballistic non-collinear spin valves. The torkance on one ferromagnetic layer is expressed in terms of scattering coe…