arXiv 2026-07-11 EN Oxygen-nonstoichiometry-driven phase transition in Sr₁₋ₓNdₓCoO₃₋δ (x = 0.1, 0.2, 0.3) perovskites Nina Tereshko · Roman Lanovsky · Olivier Toulemonde · Maxim Bushinsky +4
arXiv 2026-07-10 EN Improved Heat Dissipation in CsPbBr₃-hBN Heterostructures Liudmila Starodubtceva · Ahmed Kadid · Naho Kurahashi · Cedric Kreusel +7
arXiv 2026-07-09 EN Bond, orbital and spin order in d4/d6/d7 perovskite oxides: successes and limitations of foundation interatomic potentials Swagata Acharya · Dimitar Pashov · Mark van Schilfgaarde · Alin M. Elena
arXiv 2026-07-08 EN Human and LLM Collaboration for Accelerated Materials Synthesis and Discovery Gregory Bassen · Wyatt Bunstine · Sarah Okandey · Sarah Cheung +6
arXiv 2026-07-08 EN Understanding surface potential dynamics of passivated perovskites via Kelvin Probe Force Microscopy Rehmat Sood-Goodwin · Xue-Li Cao · Benjamin C. Kinvig · Robert D. J. Oliver +3
arXiv 2026-07-06 EN Data-driven atomistic modelling of hybrid halide perovskite passivation Laura-Bianca Paşca · Henry J. Snaith · Volker L. Deringer
arXiv 2026-07-06 EN Disentangling Electronic and Lattice Contributions to Transient Absorption in Metal Halide Perovskites: A First-Principles Study of CH3NH3PbBr3 Lu Qiao · Ronaldo Rodrigues Pela · Claudia Draxl
arXiv 2026-07-04 EN Atomistic study of finite temperature properties in ferroelectric BiAlO₃ Indranil Mal · Chandan Kumar Vishwakarma · Mohd Zeeshan · I. Ponomareva +1
arXiv 2026-07-01 EN First-principles calculations of spin-split bands in chiral hybrid organic-inorganic perovskites (R/S-PEA)PbI₃ and (R/S-NEA)PbI₃ Tetsuya Furukawa · Kazushi Nakano · Youta Suzuki · Takumi Kaneko +2
arXiv 2026-07-01 EN Strongly frustrated 2D magnetism in a 3D hexagonal perovskite Bocheng Yu · Otkur Omar · Songtai Lv · Long Ma +11
arXiv 2026-06-28 EN Latent Genetic Algorithm for Crystal Structure Prediction Kaixin Zheng · Wanjian Yin · Hongyu Yu · Hongjun Xiang
arXiv 2026-06-28 EN Silicon-compatible ideal antiferroelectricity with large digital electromechanical responses enabled by thermal-strain domain engineering Hao Xiong · Huazhang Zhang · Liang Shu · Yangyang Si +15
arXiv 2026-06-27 EN Structural properties of one-dimensional Cs₂CoCl₄ confined within single-walled carbon nanotubes Jaskaran S. Mangat · Yu Lei · Matthew Weyland · Yisong Han +8
arXiv 2026-06-26 EN Tuning the optoelectronic properties of wide bandgap perovskites: Data-driven insights from combinatorial synthesis and high-throughput experimentation Alexander Wieczorek · Sergey Tsarev · Nathan Rodkey · Oleksandr Pshyk +3
arXiv 2026-06-26 EN Circularly Polarized Magneto-Photoluminescence in Two-Dimensional Chiral Perovskites R- and S-(C4H9NH3)2PbI4 under High Magnetic Fields D. Y. Park · S. Park · Yongmin Kim · N. Myoung +3
arXiv 2026-06-26 EN Entropy engineering of BF-BT-based high-entropy ceramics for ultra-high energy storage performance Yitao Jiao · Zhenhao Fan · Dawei Wang · Hai-Feng Li
arXiv 2026-06-25 EN Thermal Corrections and Analysis on the Phase Stability of CsPbCl3 and Cs2AgSbCl6 during In-Situ Thermal Treatment Ethan R. Cronk · Wenjun Xiang · Rachel Fister · Biswajit Ball +3
arXiv 2026-06-24 EN Quantum Back-Action Expands the Excitonic Hilbert Space in a Soft Polar Semiconductor Arnab Ghosh · Patrick Brosseau · Priya Nagpal · Dmitry N. Dirin +3
arXiv 2026-06-23 EN One-dimensional self-organization of water molecules in proton conducting Andersson-Wadsley titanates Mathilde Arnaud · Guillaume Benas · Narimane Meziani · Armel Descamps-Mandine +12
arXiv 2026-06-20 EN Delafossites as an unexpected competing phase to infinite-layer oxides Armin Sahinovic · Benjamin Geisler · Rossitza Pentcheva
