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cond-mat.mtrl-sci2026

Interface-Controlled Defect Engineering in TiN/TaN Superlattices for Enhanced Hardness and Fracture Toughness

Zecui Gaoa, Qimin Wang, Julian Buchinger +6

TiNTaN superlattice coatings were designed to investigate how atomic-scale interface chemistry and defect-stabilized TaN layers govern hardness and fracture toughness. Guided by fi…

cond-mat.mtrl-sci2026

Cepstral Analysis to accelerate Green-Kubo thermal conductivity calculations of Metal-Organic Frameworks

Florian P. Lindner, Egbert Zojer, Sandro Wieser

Metal-organic frameworks (MOFs) are promising porous materials for applications such as gas storage and separation, where heat transport can critically affect device performance. H…

cond-mat.mtrl-sci2026

Terahertz optical activity near crystal field transitions of Tm3+ ions in magnetoelectric alumoborates

A. M. Kuzmenko, V. Yu. Ivanov, S. V. Garnov +5

Crystal field (CF) excitations in the ground multiplet of Tm ions were investigated using terahertz transmission spectra of magnetoelectric TmAl(BO) and…

cond-mat.mtrl-sci2026

The influence of implantation conditions on dopant activation in Al-implanted 4H-SiC: A MD study applying an Al potential fitted to DFT barriers

Sabine Leroch, Robert Stella, Andreas Hössinger +1

The non-monotonic dependence of Al dopant activation on implantation temperature in 4H-SiC has been experimentally observed, but its atomistic origin remains unclear. We present a…

cond-mat.mtrl-sci2026

The Unreconstructed α-AlO(0001) Surface is Inhomogeneous and Rough

Johanna I. Hütner-Reisch, Andrea Conti, David Kugler +4

Alumina (AlO) is a key material for thin-film growth and heterogeneous catalysis, where the atomic surface structure critically impacts performance. Using noncontact at…

cond-mat.mtrl-sci2026

Bias-triggered conductivity relaxation (BCR): a unique tool to simultaneously investigate thermodynamics, kinetics and electrostatic effects of oxygen reactions in MIEC thin films

Alexander Stangl, Alexander Schmid, Adeel Riaz +2

Mixed ionic electronic transfer (MIET) reactions, such as the oxygen reduction reaction (ORR) at oxide surfaces, are of paramount importance to manifold technologically highly rele…