cond-mat.mtrl-sci 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.

Validation of Semi-Empirical xTB Methods for High-Throughput Screening of TADF Emitters: A 747-Molecule Benchmark Study

This study validates semi-empirical xTB methods (sTDA-xTB and sTD-DFT-xTB) as highly efficient, cost-effective tools for the high-throughput screening of TADF emitters by benchmarking them against a dataset of 747 molecules, achieving a 99% reduction in computational cost while confirming key design principles such as the superiority of D-A-D architectures and optimal torsional angles.

Jean-Pierre Tchapet Njafa, Elvira Vanelle Kameni Tcheuffa, Aissatou Maghame, Serge Guy Nana Engo2026-03-06🔬 cond-mat.mtrl-sci

Structural modulation, physical properties, and electronic band structure of the kagome metal UCr $_6$ Ge $_6$

This study reports the synthesis and characterization of the 5f-electron kagome metal UCr $_6$ Ge $_6$ , revealing its unique monoclinic supercell modulation, itinerant uranium behavior, and the presence of chromium-derived flatbands near the Fermi level, which collectively highlight the tunable magnetic ground states within the $RM_6X_6$ family.

Z. W. Riedel, P. A. E. Murgatroyd, C. S. Kengle, P. M. T. Vianez, A. Schmidt, X. Du, K. Allen, T. K. Kim, C. Lane, Ying Wai Li, Jian-Xin Zhu, J. D. Thompson, F. Ronning, S. M. Thomas, P. F. S. Rosa, E (…)2026-03-06🔬 cond-mat.mtrl-sci

CycleChemist: A Dual-Pronged Machine Learning Framework for Organic Photovoltaic Discovery

This paper introduces CycleChemist, a dual-pronged machine learning framework that leverages a new large-scale dataset (OPV2D) to simultaneously predict organic photovoltaic performance and generate synthetically accessible high-efficiency donor-acceptor materials through an integrated predictive and generative approach.

Hou Hei Lam, Jiangjie Qiu, Xiuyuan Hu, Wentao Li, Fankun Zeng, Siwei Fu, Hao Zhang, Xiaonan Wang2026-03-06🔬 cond-mat.mtrl-sci

Singularly isostatic and geometrically unstable rigidity of metal-organic frameworks

This study employs rigidity-based spring network analysis on thousands of metal-organic frameworks to reveal that while most are formally over-constrained, they cluster near mechanical instability due to accidental geometric modes, suggesting a design principle rooted in near-criticality that can be stabilized by tuning long-range constraints.

Christopher M. Owen, Michael J. Lawler2026-03-06🔬 cond-mat.mtrl-sci

Toward a Theoretical Roadmap for Organic Memristive Materials

This paper proposes a multiscale computational framework to bridge the gap between molecular structure and memristive function in organic materials, examining ionic migration, redox-driven switching, and chiral conduction mechanisms to guide the design of next-generation neuromorphic hardware.

Salvador Cardona-Serra2026-03-06🔬 cond-mat.mes-hall

Bimorph Lithium Niobate Piezoelectric Micromachined Ultrasonic Transducers

This paper presents a robust bimorph lithium niobate PMUT utilizing a 20 μm thick periodically poled film that achieves a high electromechanical coupling of 6.4% and demonstrates exceptional thermal resilience with stable operation up to 600°C and survival up to 900°C.

Vakhtang Chulukhadze, Zihuan Liu, Ziqian Yao, Lezli Matto, Tzu-Hsuan Hsu, Nishanth Ravi, Xiaoyu Niu, Michael E. Liao, Mark S. Goorsky, Neal Hall, Ruochen Lu2026-03-06🔬 cond-mat.mtrl-sci

Complex spin dynamics induced metamagnetic phase transitions in Dirac semimetal EuAuBi

This study reveals that the Dirac semimetal EuAuBi exhibits complex, field-induced metamagnetic phase transitions and non-trivial spin textures, offering a unique platform to investigate the interplay between momentum-space and real-space Berry curvature effects.

Lipika, Shobha Singh, Anyesh Saraswati, Vikas Chahar, Yan Sun, Pascal Manuel, Devashibhai Adroja, Walter Schnelle, Nitesh Kumar, Jhuma Sannigrahi, Kaustuv Manna2026-03-06🔬 cond-mat.mtrl-sci

Topological-transition-driven Giant Enhancement of Second-harmonic Generation in Ferroelectric Bismuth Monolayer

This study reveals that ferroelectric bismuth monolayers exhibit a giant second-harmonic generation enhancement, reaching values up to $10^7$ $\mathrm{pm}^2/\mathrm{V}$ , which is driven by a buckling-tuned topological transition that creates Dirac electrons with ultralight effective masses and low-frequency resonances.

Wen-Zheng Chen, Hongjun Xiang, Yusheng Hou2026-03-06🔬 cond-mat.mtrl-sci

Dependence of the Mn sticking coefficient on Ga-rich, N-rich, and Ga/N-flux-free conditions in GaN grown by plasma-assisted molecular beam epitaxy

This study demonstrates that the sticking coefficient of Mn in GaN grown by plasma-assisted molecular beam epitaxy is highly dependent on flux conditions, being highest under N-rich environments and lowest under Ga-rich conditions.

YongJin Cho, Changkai Yu, Huili Grace Xing, Debdeep Jena2026-03-06🔬 cond-mat.mtrl-sci

Transient Plastic Spin Labeling with Chlorine Dioxide

This study demonstrates that aqueous chlorine dioxide radicals can serve as transient spin labels for poly(ethylene terephthalate), enabling the identification of plastic types and the measurement of molecular diffusion within the polymer matrix through electron spin resonance spectroscopy.

Bence G. Márkus, Sándor Kollarics, Kristóf Kály-Kullai, Bernadett Juhász, Dávid Beke, László Forró, Zoltán Noszticzius, Ferenc Simon2026-03-06🔬 cond-mat.mtrl-sci

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cond-mat.mtrl-sci