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.

Crystal structure and collective oxygen transport in high-temperature Ta $_{2}$ O $_{5}$

This study resolves the structural ambiguity of high-temperature tetragonal Ta $_2$ O $_5$ by proposing a chiral framework that facilitates unusually low-barrier, collective one-dimensional oxygen migration through cooperative lattice relaxation, thereby explaining its high anisotropic ionic conductivity.

Sung-Hoon Lee, Ki-Ha Hong2026-05-13🔬 cond-mat.mtrl-sci

Revisiting Phase Transitions of Yttrium: Insights from Density Functional Theory

This study demonstrates that the r $^2$ SCAN meta-GGA functional accurately predicts the low-pressure phase transitions of yttrium by capturing vibrational instabilities and elastic softening, whereas the PBE-GGA functional significantly underestimates these transition pressures.

Paras Patel, Madhavi H. Dalsaniya, Saurav Patel, Dominik Kurzydłowski, Krzysztof J. Kurzydłowski, Prafulla K. Jha2026-05-13🔬 cond-mat.mtrl-sci

Twisted bilayer graphene from first-principles: structural and electronic properties

This paper presents a comprehensive first-principles study of twisted bilayer graphene across a wide range of twist angles using density functional theory, providing fully relaxed atomic structures and detailed electronic properties that serve as a foundational ab initio reference for future many-body investigations.

Albert Zhu, Daniel Bennett, Daniel T. Larson, Mohammed M. Al Ezzi, Efstratios Manousakis, Efthimios Kaxiras2026-05-13🔬 cond-mat.mes-hall

Homogenization of rod-like metamaterials as a special Cosserat rod

This paper presents a variational homogenization scheme based on geometrically exact special Cosserat rod theory to derive the nonlinear constitutive response and stiffness of periodically assembled rod-like metamaterials, validated through numerical examples ranging from simple lattices to complex auxetic and artificial muscle structures.

Vinayak, Ajeet Kumar2026-05-13🔬 cond-mat.mtrl-sci

Quantifying the effects of particle clustering in random thermoelastic composites -- numerical and mean-field analyses

This paper analyzes how the spatial distribution of randomly placed spherical particles affects the thermoelastic effective properties and local stress-strain fields in composites by quantitatively comparing full-field finite element simulations with a novel multi-family mean-field cluster model.

Pawel Holobut, Michal Majewski, Katarzyna Kowalczyk-Gajewska2026-05-13🔬 cond-mat

Contrasting structural reversibility and magnetic correlations in isostructural honeycomb magnets CrCl $_3$ and $\alpha$ -RuCl $_3$

This study reveals that while isostructural honeycomb magnets CrCl $_3$ and $\alpha$ -RuCl $_3$ both undergo a first-order structural transition involving interlayer sliding, they exhibit starkly contrasting behaviors where CrCl $_3$ maintains structural robustness and shows significant magnetic diffuse scattering, whereas $\alpha$ -RuCl $_3$ suffers from structural degradation and lacks such magnetic correlations, a difference attributed to their distinct electronic configurations.

Zachary Morgan (Neutron Scattering Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee, USA), Iris Ye (Next Generation Pathway to Computing Program Participant), Jiasen Guo (Neutron Scatteri (…)2026-05-13🔬 cond-mat

Bridging the Gap between Extreme Environments and Precision Measurements: Recent Progress in Megagauss Physics

This review article summarizes recent technological breakthroughs in generating ultrastrong magnetic fields (100–1,000+ T) via Single-Turn Coil and Electromagnetic Flux Compression methods, while detailing specialized measurement infrastructures and highlighting key physical phenomena discovered in materials science under these extreme conditions.

Shojiro Takeyama2026-05-13✓ Author reviewed ⓘ🔬 cond-mat.mtrl-sci

Fast and Accurate Prediction of Lattice Thermal Conductivity via Machine Learning Surrogates

This paper benchmarks 15 machine learning surrogate models on a large Phonix database to predict lattice thermal conductivity, revealing that while MLIP-embedded models excel in interpolation, deep neural networks like ALiEGNN offer superior robustness for out-of-distribution extrapolation, thereby enabling efficient high-throughput screening of thermoelectric materials at a fraction of the computational cost of first-principles simulations.

Zeyu Wang, Shuya Yamazaki, Martin Hoffmann Petersen, Masato Ohnishi, Tomiya Yamamoto, Wei Nong, Jianghai Wang, Ruiming Zhu, Masatoshi Hanai, Michimasa Morita, Toyotaro Suzumura, Zekun Ren, Junichiro S (…)2026-05-13🔬 cond-mat.mtrl-sci

Synergistic improvement of specific strength and plasticity achieved in Ti-based metallic glass designed based on quasicrystal structure

By leveraging quasicrystal-derived structural heredity and minor Al microalloying, this study achieves a record-breaking specific strength of $5.34 \times 10^5 \text{ N}\cdot\text{m}\cdot\text{kg}^{-1}$ and 13% plastic strain in Ti-based bulk metallic glasses, effectively overcoming the traditional strength-plasticity trade-off.

Zhengqing Cai, Zijing Li, Shidong Feng, Limin Wang, Riping Liu2026-05-13✓ Author reviewed ⓘ🔬 cond-mat.mtrl-sci

Vacancy-Enhanced $N-N$ Bonding and Deep Level Complex Defect Formation in $\beta-Ga_2O_3$

First-principles calculations reveal that nitrogen-related defect complexes in $\beta-Ga_2O_3$ , particularly those enhanced by oxygen and gallium vacancies, form stable deep-level trapping centers that introduce localized electronic states within the band gap, thereby limiting carrier transport and promoting semi-insulating behavior.

Asiyeh Shokri, Yevgen Melikhov, Yevgen Syryanyy, Maryna Chernyshova, Iraida N. Demchenko2026-05-13🔬 cond-mat.mtrl-sci

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cond-mat.mtrl-sci

Crystal structure and collective oxygen transport in high-temperature Ta2_{2}2​O5_{5}5​