Dimensionality dependent electronic structure of the exfoliated van der Waals antiferromagnet NiPS3_3

Resonant Inelastic X-ray Scattering (RIXS) was used to measure the local electronic structure in few-layer exfoliated flakes of the van der Waals antiferromagnet NiPS$_3$. The resulting spectra show a systematic softening and broadening of $NiS_6$ multiplet excitations with decreasing layer count from the bulk to three atomic layers (3L). These trends are driven by a decrease in the transition metal-ligand and ligand-ligand hopping integrals, and in the charge-transfer energy: $\Delta$ = 0.60 eV in the bulk and 0.22 eV in 3L NiPS$_3$. Relevant intralayer magnetic exchange integrals computed from the electronic parameters exhibit a systematic decrease in the average interaction strength with thickness and place 2D NiPS$_3$ close to the phase boundary between stripy and spiral antiferromagnetic order, which may explain the apparent vanishing of long-range order in the 2D limit. This study explicitly demonstrates the influence of $inter$layer electronic interactions on $intra$layer ones in insulating magnets. As a consequence, the magnetic Hamiltonian in few-layer insulating magnets can be significantly different from that in the bulk.Comment: 5 pages, 4 figures; additional 9 pages and 13 figures of supplementary informatio

Querying a Bioinformatic Data Sources Registry with Concept Lattices

ISSN 0302-9743 (Print) 1611-3349 (Online) ISBN 978-3-540-27783-5International audienceBioinformatic data sources available on the web are multiple and heterogenous. The lack of documentation and the difficulty of interaction with these data banks require users competence in both informatics and biological fields for an optimal use of sources contents that remain rather under exploited. In this paper we present an approach based on formal concept analysis to classify and search relevant bioinformatic data sources for a given user query. It consists in building the concept lattice from the binary relation between bioinformatic data sources and their associated metadata. The concept built from a given user query is then merged into the concept lattice. The result is given by the extraction of the set of sources belonging to the extents of the query concept subsumers in the resulting concept lattice. The sources ranking is given by the concept specificity order in the concept lattice. An improvement of the approach consists in automatic refinement of the query thanks to domain ontologies. Two forms of refinement are possible by generalisation and by specialisation

Elucidating the Role of Dimensionality on the Electronic Structure of the Van der Waals Antiferromagnet NiPS3

The sustained interest in investigating magnetism in the 2D limit of insulating antiferromagnets is driven by the possibilities of discovering, or engineering, novel magnetic phases through layer stacking. However, due to the difficulty of directly measuring magnetic interactions in 2D antiferromagnets, it is not yet understood how intralayer magnetic interactions in insulating, strongly correlated, materials can be modified through layer proximity. Herein, the impact of reduced dimensionality in the model van der Waals antiferromagnet NiPS3 is explored by measuring electronic excitations in exfoliated samples using Resonant Inelastic X ray Scattering RIXS . The resulting spectra shows systematic broadening of NiS6 multiplet excitations with decreasing layer count from bulk down to three atomic layers 3L . It is shown that these trends originate from a decrease in transition metal ligand and ligand ligand hopping integrals, and by charge transfer energy evolving from amp; 120491; 0.83 eV in the bulk to 0.37 eV in 3L NiPS3. Relevant intralayer magnetic exchange integrals computed from the electronic parameters exhibit a decrease in the average interaction strength with thickness. This study underscores the influence of interlayer electronic interactions on intralayer ones in insulating magnets, indicating that magnetic Hamiltonians in few layer insulating magnets can greatly deviate from their bulk counterpart