Condensed matter physics and materials science form a dynamic partnership, exploring how the collective behavior of atoms gives rise to the unique properties of solids and liquids. This field bridges the gap between fundamental quantum mechanics and the practical engineering of everything from flexible electronics to superconductors, turning abstract theories into tangible innovations that shape our daily lives.

At Gist.Science, we process every new preprint in this category directly from arXiv to make these complex discoveries accessible to everyone. Our team generates both plain-language overviews and detailed technical summaries for each paper, ensuring that researchers, students, and curious minds alike can grasp the latest breakthroughs without getting lost in dense jargon.

Below are the latest papers in condensed matter and materials science, organized by their most recent publication dates.

🔬 materials science

Role of on-site Coulomb energy and negative-charge transfer in a Dirac semi-metal NiTe2_2

By combining advanced photoemission and absorption spectroscopy with cluster model calculations, this study quantifies the electronic parameters of NiTe2_2 to reveal that a negative charge-transfer energy and finite on-site Coulomb repulsion drive its classification as a moderately correlated type-II Dirac semimetal, distinguishing it from strongly correlated insulators like NiO.

A. R. Shelke, C. -W. Chuang, S. Hamamoto, M. Oura, M. Yoshimura, N. Hiraoka, C. -N. Kuo, C. -S. Lue, A. Fujimori, A. Cha (…)2026-02-26
🔬 materials science

The nexus between negative charge-transfer and reduced on-site Coulomb energy in a correlated topological metal CoTe2_2

This study resolves the absence of expected correlation-induced band narrowing in the topological metal CoTe2_2 by demonstrating that a negative charge-transfer energy and reduced on-site Coulomb interaction, validated through spectroscopic measurements and cluster model simulations, fundamentally shape its unique electronic structure and enable its topological behavior.

A. R. Shelke, C. -W. Chuang, S. Hamamoto, M. Oura, M. Yoshimura, N. Hiraoka, C. -N. Kuo, C. -S. Lue, A. Fujimori, A. Cha (…)2026-02-26
🔬 materials science

Hydrogen diffusion in TiCr2_2Hx_x Laves phases: A combined ab initio and machine-learning-potential study

This study combines density functional theory and machine learning potentials to investigate hydrogen diffusion in TiCr2_2 Laves phases, revealing that migration barriers depend on bond-breaking requirements, diffusion exhibits non-monotonic concentration dependence, and experimental discrepancies are likely caused by defect-induced hydrogen trapping.

Pranav Kumar, Fritz Körmann, Kaveh Edalati, Blazej Grabowski, Yuji Ikeda2026-02-26
🔬 materials science

High-pressure synthesis of quantum magnet M-YbTaO4 with a stretched diamond lattice

Researchers successfully synthesized the bulk quantum magnet M-YbTaO4, featuring a geometrically frustrated stretched diamond lattice of spin-1/2 Yb3+ ions that exhibits no long-range magnetic ordering down to 1.8 K, by utilizing high-pressure conditions to stabilize this phase and its entire YbNbxTa1-xO4 solid solution, which are inaccessible via ambient-pressure methods.

Nicola D. Kelly, Xuan Liang, Siân E. Dutton, Kazunari Yamaura, Yoshihiro Tsujimoto2026-02-26
🔬 materials science

Frequency- and time-resolved second order quantum coherence function of IDTBT single-molecule fluorescence

This paper reports the first experimental demonstration of a frequency- and time-resolved single-molecule fluorescence quantum light spectroscopy (SMFg2-QLS) on IDTBT polymer chains, successfully measuring second-order quantum coherence functions that reveal non-trivial excited state dynamics and suggest the presence of intrinsic quantum coherence.

Quanwei Li, Yuping Shi, Lam Lam, K. Birgitta Whaley, Graham Fleming2026-02-26
🔬 materials science

Reasoning-Driven Design of Single Atom Catalysts via a Multi-Agent Large Language Model Framework

This paper introduces MAESTRO, a multi-agent large language model framework that autonomously iterates through reasoning, proposal, and reflection to discover high-performance single atom catalysts for the oxygen reduction reaction, successfully identifying novel design principles that break conventional scaling relations.

Dong Hyeon Mok, Seoin Back, Victor Fung, Guoxiang Hu2026-02-26
🔬 materials science

Magnetic anisotropic pinning and symmetric breaking induced by interfacial coupling in topological-like ruthenate superlattices

By engineering the interfacial exchange coupling between ferromagnetic SrRuO₃ and LaCoO₃, this study demonstrates the induction of noncollinear spin stripes and magneto-transport anisotropy while suppressing skyrmion formation, highlighting the potential of interfacial design to control spin textures in topological-like ruthenate superlattices.

Zhongyuan Jiang, Zhiwei Zhang, Kesen Zhao, Wenjie Meng, Yuanyuan Zhao, Yubin Hou, Zhangzhang Cui, Jian Zhang, Zheling Sh (…)2026-02-26
🔬 materials science

Intrinsic Instabilities and Mechanical Anisotropy in Halide Perovskite Monolayers

Using first-principles simulations, this study investigates the structural, mechanical, and electronic properties of various halide perovskite monolayers, revealing the thermodynamic and mechanical instability of the ABX4 stoichiometry, strong mechanical anisotropy driven by Pb–X covalent bonding, and electronic characteristics similar to 3D counterparts but with larger band gaps and spin splitting in non-symmetric phases.

Gabriel X. Pereira, Lucas M. Farigliano, Roberto H. Miwa, Gustavo M. Dalpian2026-02-26
🔬 materials science

Band-Like Transport and Cation Off-Centring in Ag/Bi-Based Solar Absorbers

This study reveals that despite cation off-centering and disorder, AgBiS2 exhibits intrinsic band-like transport due to its close-packed structure, suggesting that carrier localization in nanocrystal films is driven by extrinsic factors rather than inherent material properties.

Yi-Teng Huang, Yixin Wang, Georgia Fields, Peixi Cong, Yongjie Wang, Jack E. N. Swallow, Avari Roy, Jack M. Woolley, Vic (…)2026-02-26