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19922026
most citedCP2K: An Electronic Structure and Molecular Dynamics Software Package -- Quickstep: Efficient and Accurate Electronic Structure Calculations

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cond-mat.mtrl-sci2026

Topological spin-texture transitions in van der Waals magnets revealed by X-ray Fourier transform holography

Sourav Chowdhury, Soumyaranjan Dash, Michael Schneider +14

Nontrivial topological spin-textures, such as skyrmions, merons, bimerons, and skyrmioniums, are envisioned as robust building blocks for future memory and logic devices. Controlla…

cond-mat.mtrl-sci2026★ 1 cited

Single Atom Magnets on Thermally Stable Adsorption Sites: Dy on NaCl(100)

M. Pivetta, M. Blanco-Rey, S. Reynaud +14

We report magnetic bistability in single Dy atoms on NaCl(100) thin films. Individual Dy atoms substituting Na at the surface of the NaCl layer are thermally stable up to at least…

cond-mat.mtrl-sci2026

Anisotropy-driven interfacial magnetism in Ru-deficient SrRuO thin films

Vítor A. de Oliveira Lima, Michael I. Faley, Asmaa Qdemat +9

While stoichiometric SrRuO (SRO) is a metallic itinerant ferromagnet with relatively homogeneous magnetization, Ru deficiency provides a powerful route to alter its electronic…

cond-mat.mtrl-sci2026

Emergent 3D Fermiology and Magnetism in an Intercalated Van der Waals System

Luigi Camerano, Emanuel A. Martínez, Victor Porée +16

Intercalation of magnetic atoms into van der Waals materials provides a versatile platform for tailoring unconventional magnetic properties. However, its impact on electronic dimen…

cond-mat.mtrl-sci2026

Control of the MoTe Fermi Surface by Nb Doping

Andrew P. Weber, Iñigo Robredo, Philipp Rüssmann +8

Ab initio calculations and angle-resolved photoemission experiments show that the bulk and surface electronic structure of Weyl semimetal candidate MoTe changes significantly b…

cond-mat.mtrl-sci2026★ 1 cited

Novel fast Li-ion conductors for solid-state electrolytes from first-principles

Tushar Singh Thakur, Loris Ercole, Nicola Marzari

We present a high-throughput computational screening for fast lithium-ion conductors to identify promising materials for application in all solid-state electrolytes. Starting from…