Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Centre National de la Recherche ScientifiqueFR2.2k papers
- University of OxfordGB2.1k papers
- Johannes Gutenberg University MainzDE2.1k papers
- University of ManchesterGB2.1k papers
- Stockholm UniversitySE2k papers
- University of Science and Technology of ChinaCN1.9k papers
- Istituto Nazionale di Fisica Nucleare, Laboratori Nazionali di FrascatiIT1.8k papers
- Joint Institute for Nuclear ResearchRU1.7k papers
- University of BonnDE1.7k papers
- Indiana University BloomingtonUS1.7k papers
- Institut National de Physique Nucléaire et de Physique des ParticulesFR1.6k papers
- Aix-Marseille UniversitéFR1.6k papers
14 papers · 2 filters
Magnetocrystalline anisotropy and uniaxiality of MnAs/GaAs(100) films
J. Magnus Wikberg, Ronny Knut, Sumanta Bhandary +9
We present an investigation of the magnetic behavior of epitaxial MnAs films grown on GaAs(100). We address the dependence of the magnetic moment, ferromagnetic transition temperat…
Electronic structure and magnetism of transition metal doped Zn12O12 clusters: Role of defects
Nirmal Ganguli, Indra Dasgupta, Biplab Sanyal
We present a comprehensive study of the energetics and magnetic properties of ZnO clusters doped with 3d transition metals (TM) using ab initio density functional calculations in t…
Neutron diffraction studies and the magnetism of an ordered perovskite: Ba2CoTeO6
S. A. Ivanov, P. Nordblad, R. Mathieu +2
The complex perovskite Ba2CoTeO6 (BCTO) has been synthesised, and the crystal structure and magnetic properties have been investigated using a combination of X-ray and neutron powd…
Element specific characterization of heterogeneous magnetism in (Ga,Fe)N films
I. A. Kowalik, A. Persson, M. Á. Niño +5
We employ x-ray spectroscopy to characterize the distribution and magnetism of particular alloy constituents in (Ga,Fe)N films grown by metal organic vapor phase epitaxy. Furthermo…
Tuning of dielectric properties and magnetism of SrTiO3 by site-specific doping of Mn
D. Choudhury, S. Mukherjee, P. Mandal +12
Combining experiments with first principles calculations, we show that site-specific doping of Mn into SrTiO3 has a decisive influence on the dielectric properties of these doped s…
Relativity and the lead-acid battery
Rajeev Ahuja, Andreas Blomqvist, Peter Larsson +2
The energies of the solid reactants in the lead-acid battery are calculated ab initio using two different basis sets at non-relativistic, scalar relativistic, and fully relativisti…
Charge-induced spin polarization in non-magnetic organic molecule Alq
Kartick Tarafder, Biplab Sanyal, Peter M. Oppeneer
Electrical injection in organic semiconductors is a key prerequisite for the realization of organic spintronics. Using density-functional theory calculations we report the effect o…
Quantitative determination of spin-dependent quasiparticle lifetimes and electronic correlations in hcp cobalt
J. Sanchez-Barriga, J. Minar, J. Braun +13
We report on a quantitative investigation of the spin-dependent quasiparticle lifetimes and electron correlation effects in ferromagnetic hcp Co(0001) by means of spin and angle-re…
Complex edge effects in zigzag graphene nanoribbons due to hydrogen loading
Sumanta Bhandary, Mikhail I. Katsnelson, Olle Eriksson +1
We have performed density functional calculations as well as employed a tight-binding theory, to study the effect of passivation of zigzag graphene nanoribbons (ZGNR) by Hydrogen.…
Nanolithographic templates using diblock copolymer films on chemically heterogeneous substrates
Vassilios Kapaklis, Spyridon Grammatikopoulos, Roman Sordan +6
The orientation of the lamellae formed by the phase separation of symmetric diblock copolymer thin films is strongly affected by the wetting properties of the polymer blocks with r…
\textit{Ab initio} study of interacting lattice vibrations and stabilization of the -phase in Ni-Ti shape-memory alloy
Petros Souvatzis, Dominik Legut, Olle Eriksson +1
Lattice dynamical methods used to predict phase-transformations in crystals typically evaluate the harmonic phonon spectra and therefore do not work in frequent and important situa…
A theoretical analysis of the chemical bonding and electronic structure of graphene interacting with Group IA and Group VIIA elements
M. Klintenberg, S. Lebegue, M. I. Katsnelson +1
We propose a new class of materials, which can be viewed as graphene derivatives involving Group IA or Group VIIA elements, forming what we refer to as graphXene. We show that in s…
Magnon softening in a ferromagnetic monolayer: a first-principles spin dynamics study
Anders Bergman, Andrea Taroni, Lars Bergqvist +3
We study the Fe/W(110) monolayer system through a combination of first principles calculations and atomistic spin dynamics simulations. We focus on the dispersion of the spin waves…
Dielectric properties and spin-phonon coupling in multiferroic double perovskite BiCoMnO
Satadeep Bhattacharjee, Olle Eriksson, Biplab Sanyal
First-principles electronic structure calculations have been performed for the double perovskite BiCoMnO in its non-centrosymmetric polar state using generalized gradient a…