Publications by Zeljko Sljivancanin

Spin Excitations in a 4f-3d Heterodimer on MgO

Harald Brune, François Patthey, Christian Wäckerlin, Fabio Donati, Donat Fabian Natterer, Aparajita Singha, Zeljko Sljivancanin

We report on the magnetic properties of HoCo dimers as a model system for the smallest intermetallic compound of a lanthanide and a transition metal atom. The dimers are adsorbed on ultrathin MgO(100) films grown on Ag(100). New for 4f elements, we detect ...

AMER PHYSICAL SOC2018

Adsorption sites of individual metal atoms on ultrathin MgO(100) films

Harald Brune, François Patthey, Fabio Donati, Edgar Fernandes, Zeljko Sljivancanin

We use Ca doping during growth of one- and two-monolayer-thick MgO films on Ag(100) to identify the adsorption sites of individual adatoms with scanning tunnelingmicroscopy. For thiswe combine atomic resolution images of the bare MgO layer with images of t ...

Amer Physical Soc2017

Magnetic remanence in single atoms

Harald Brune, François Patthey, Stefano Rusponi, Christian Wäckerlin, Jan Gui-Hyon Dreiser, Pietro Gambardella, Fabio Donati, Zeljko Sljivancanin, Aparajita Singha, Romana Baltic

A permanent magnet retains a substantial fraction of its saturation magnetization in the absence of an external magnetic field. Realizing magnetic remanence in a single atom allows for storing and processing information in the smallest unit of matter. We s ...

American Association for the Advancement of Science2016

Magnetism in nanoscale graphite flakes as seen via electron spin resonance

László Forró, Arnaud Magrez, Andrzej Sienkiewicz, Luka Ciric, Jacim Jacimovic, Zeljko Sljivancanin

Magnetic properties of a large assembly of ultrathin graphitic particles obtained by heavy sonication of graphite powder dispersed in N-methylpyrrolidone were measured by electron-spin resonance (ESR). The ESR signal was decomposed into one narrow and one ...

American Physical Society2012

Role of Adsorbed H, C, O, and CO on the Atomic Structure of Free and MgO(100)-Supported Ir-4 Clusters: An ab Initio Study

Alfonso Baldereschi, Zeljko Sljivancanin, Vladan Stevanovic

We applied density functional theory based on ultrasoft pseudopotentials to study the structural properties of Ir-4 clusters both in the gas phase and adsorbed on a MgO(100) surface. To resolve the discrepancy between experimental data which suggest a tetr ...

2010

Transition from Mn4+ to Mn3+ induced by surface reconstruction at lambda-MnO2(001)

Alfonso Baldereschi, Zeljko Sljivancanin

Structural and electronic properties of the lambda-MnO2(001) surface are investigated applying density functional theory approach. The calculations show that all Mn ions at unreconstructed smooth surface preserve the +4 oxidation state observed in the bulk ...

2010

Effect of adsorbed H atoms on magnetism in monoatomic Fe wires at Ir(100)

Alfonso Baldereschi, Zeljko Sljivancanin

By means of ab initio calculations based on density-functional theory we demonstrate that magnetism in monoatomic Fe wires deposited on nanostructured Ir(100) surface can be tuned by their functionalization with hydrogen. The pristine monoatomic Fe wires d ...

2010

Nitrogen fixation at passivated Fe nanoclusters supported by an oxide surface: Identification of viable reaction routes using density functional calculations

Alfredo Pasquarello, Harald Brune, Zeljko Sljivancanin

Using density-functional calculations, we investigate the possibility of ammonia synthesis at supported Fe nanoclusters along catalytic routes closely resembling those in biological nitrogen fixation. To achieve similar catalytic conditions as at the activ ...

2009

Electronic properties of an epitaxial silicon oxynitride layer on a 6H-SiC(0001) surface: A first-principles investigation

Alfredo Pasquarello, Zeljko Sljivancanin, Fabien Devynck

Using a density functional scheme, the authors investigate the electronic properties of an epitaxial silicon oxynitride layer on a 6H-SiC(0001) surface, as recently realized experimentally. Simulated scanning-tunneling-microscopy images of filled and empty ...

AIP American Institute of Physics2007

Supported nanoclusters: Preadsorbates tuning catalytic activity

Alfredo Pasquarello, Zeljko Sljivancanin

Using a density-functional approach, we investigate the reactivity of supported metal nanoclusters. We focus on the sequential adsorption of N-2 molecules on a Fe nanocluster supported by an MgO substrate. For an increasing number of N atoms preadsorbed on ...

2005