🔬 Category

cond-mat.mtrl-sci

2692 papers

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.

Artificial Intelligence for Instability in Inorganic Perovskites: From Mechanism Discovery to Engineering Strategies

This review outlines how artificial intelligence can overcome current limitations in studying the instability of 3D all-inorganic halide perovskites by structuring research into four key tasks—stability diagnosis, mechanism analysis, reliability modeling, and engineering enhancement—while proposing future directions for standardized data, interpretable models, and integrated automated experimentation.

Xue Zhao, Chuan-Xin Cui, Zi-Hao Xu, Yuan-Long Pang, Jun-Jie Li, Jin-Wu Jiang2026-06-09🔬 cond-mat.mtrl-sci

Layer-parity-defined surface polarization in Nb3_3Cl8_8 for excitonic modulation at van der Waals interfaces

This study demonstrates that the layer-parity-dependent surface polarization in Nb3_3Cl8_8, arising from its intrinsic breathing kagome lattice symmetry breaking, enables direct control over adjacent excitonic emission in van der Waals heterostructures through tunable interfacial band alignment and charge transfer.

Xinyue Huang, Hansheng Xu, Yuchen Gao, Yushen Zhou, Zhijie Ma, Kenji Watanabe, Takashi Taniguchi, Zuxin Chen, Jianqi Huang, Jianpeng Liu, Teng Yang, Youguo Shi, Yu Ye2026-06-09🔬 cond-mat.mes-hall

Hydride formation and phase separation in palladium nanoparticles from a transferable atomic cluster expansion potential

This paper introduces a transferable atomic cluster expansion potential for the palladium-hydrogen system that achieves near-DFT accuracy and enables efficient, large-scale molecular dynamics simulations of PdHx_x nanoparticles, successfully resolving their nanoscale phase separation, size-dependent lattice expansion, and hydrogen-induced melting point depression.

Minaam Qamar, Apinya Ngoipala, Matous Mrovec, Matthias Vandichel, Ralf Drautz2026-06-09🔬 cond-mat.mtrl-sci

\textit{\textbf{First-principles}} description of pumped inelastic X-ray scattering: example of K-edge RIXS in graphite

This paper presents an *ab initio* framework combining the Bethe-Salpeter equation and real-time time-dependent density-functional theory to predict time-resolved resonant inelastic X-ray scattering (RIXS) in optically pumped materials, demonstrating its accuracy by successfully modeling angular-dependent K-edge RIXS spectra in graphite at various delay times.

Elias Richter, Benedikt Maurer, Claudia Draxl2026-06-09🔬 cond-mat.mtrl-sci

Predicting Physical and Physical-Chemical Properties of Molecular-Based Materials Using Computational Neural Networks

This paper presents a computational neural network scheme that encodes molecular structures into numerical vectors to accurately predict a wide range of thermodynamic, physical, and physical-chemical properties of organic and polymeric materials, thereby enabling a "computational synthesis" approach for materials design.

Andrei A. Gakh, Bobby G. Sumpter, Donald W. Noid2026-06-09🔬 cond-mat.mtrl-sci

Evolution of terahertz third harmonic response across rare-earth nickelate phase-diagram

This study reports terahertz third harmonic generation in rare-earth nickelates, demonstrating that the nonlinear response is highly sensitive to electronic and magnetic phase transitions and providing a generalized theoretical framework to enhance these effects in strongly correlated materials.

Gulloo Lal Prajapati, Igor Ilyakov, Alexey Ponomaryov, Atiqa Arshad, Sanjeev Kumar, Jayaprakash Sahoo, Dhanvir Singh Rana, Abdelrahman Azab, Friedemann Queisser, Ralf Schützhold, Jan-Christoph Deinert2026-06-09🔬 cond-mat.mtrl-sci

Crystallography of periodic nanotextures in a strained Mott insulator

This study reveals that epitaxially strained Ca2RuO4Ca_2RuO_4 thin films below the metal-insulator transition form coherent, few-nanometer-wide martensitic laminates with specific interface orientations and displacements, governed by classical invariant-plane-strain crystallography while retaining their bulk orthorhombic symmetry.

Benjamin Z. Gregory, Yorick A. Birkhölzer, Noah Schnitzer, Ziming Shao, Jeff Hodgson, Suchismita Sarker, Jacob P. Ruff, Berit H. Goodge, David A. Muller, Kyle M. Shen, Darrell G. Schlom, Andrej Singer2026-06-09🔬 cond-mat.mtrl-sci

Bi-S network origin of cation-disorder stability and dispersive band edges in AgBiS2

By combining machine-learning interatomic potentials with deep-learning Hamiltonians, this study reveals that a continuous three-dimensional Bi-S network is the central motif responsible for stabilizing cation-disordered AgBiS2 and maintaining its dispersive conduction-band edge and small electron effective mass despite strong structural disorder.

Han-Pu Liang, Songyuan Geng, Heng Kang, Chen Qiu, Xiao-Ping Yao, Qing'an Li, Bozhao Zhang, Lechuan Sun, Yuxuan Chen, Shan Zhang, Su-Huai Wei, Peng-Fei Guan2026-06-09🔬 cond-mat.mtrl-sci