🔬 Category

cond-mat.mtrl-sci

2898 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.

🔬 materials science

Quadrupole formation and coupling to magnetic and structural degrees of freedom in the 5d15d^1 double perovskites Ba2_2MgReO6_6 and Ba2_2NaOsO6_6

This study utilizes first-principles calculations to reveal that while both Ba2_2MgReO6_6 and Ba2_2NaOsO6_6 exhibit spontaneous quadrupolar order and spin-orbit-mediated magnetic canting, only the Re-compound's strong Jahn-Teller coupling successfully stabilizes the observed antiferroic structural order, leaving the magnetic ground state of the Os-compound partially unexplained.

Francesco Martinelli, Claude Ederer2026-02-27
🔬 materials science

Discovering new photovoltaics using optimal transport theory

This paper introduces the Fused Gromov-Wasserstein (FGW) metric, an optimal transport-based approach for quantifying material similarity by balancing structural and compositional features, which successfully identified seven previously unexplored high-efficiency photovoltaic candidates, including the stable Cs5_5Sb8_8, with minimal training data.

Matthew A. H. Walker, Zibo Zhou, Junayd Ul Islam, Keith T. Butler2026-02-27
🔬 materials science

A Reduced Order Model approach for First-Principles Molecular Dynamics Computations

This paper presents a data-driven reduced order model that bypasses iterative wavefunction optimization in Kohn-Sham Density Functional Theory by constructing a low-dimensional basis from representative atomic configurations, enabling efficient and accurate Born-Oppenheimer molecular dynamics simulations as demonstrated on a water molecule.

Siu Wun Cheung, Youngsoo Choi, Jean-Luc Fattebert, Jonas Kaufman, Daniel Osei-Kuffuor2026-02-27
🔬 materials science

The Surface Sensitivity of X-ray Second Harmonic Generation as a Function of Energy

This study utilizes analytical and computational methods to demonstrate that while X-ray second harmonic generation in diamond is highly surface-sensitive near the carbon K-edge, its sensitivity shifts to being overwhelmingly dominated by the bulk quadrupole response as photon energy increases, with specific crystal orientations significantly influencing this behavior.

Daniel Schacher, Tod A. Pascal, Keith V. Lawler, Craig P. Schwartz2026-02-27
🔬 materials science

Interpretable self-driving sputter epitaxy: from black-box optimization to human-usable growth rules

This paper presents an interpretable self-driving laboratory framework that combines Bayesian optimization with automated optical evaluation to not only achieve record-low disorder in sputtered β\beta-Ga2_2O3_3 films but also distill the resulting data into transferable, human-usable growth rules that clarify the critical role of substrate temperature and parameter interactions.

Yuki K. Wakabayashi, Yui Ogawa, Franz Benedict Romero, Takuma Otsuka, Yoshitaka Taniyasu2026-02-27
🔬 materials science

Symmetry-Protected Minimum of Four Conventional Weyl Points in Nonmagnetic Crystals

By establishing definitive symmetry conditions for hosting exactly four conventional Weyl points in nonmagnetic crystals, this study identifies 76 spinless and 83 spinful space groups capable of this minimal configuration and predicts two pristine boron allotropes, P6-B48_{48} and TBIN-B48_{48}, as ideal platforms for realizing minimal Weyl physics with clean Fermi surfaces.

Ze-Xin Xue, Ke-Xin Pang, Yun-Yun Bai, Yanfeng Ge, Yong Liu, Yan Gao2026-02-27
🔬 materials science

Role of the Nephelauxetic Effect in Engineering Mn4+ Luminescence Kinetics for Lifetime-Based Thermometry

This study establishes that the nephelauxetic beta1 parameter, rather than the commonly assumed Dq/B ratio, is the dominant factor governing Mn4+ emission kinetics in double perovskites, enabling the development of a predictive model for designing lifetime-based luminescence thermometers with tailored thermometric performance.

A. Basheer, M. Szymczak, M. Piasecki, A. M. Srivastava, M. G. Brik, L. Marciniak2026-02-27
🔬 mesoscale physics

First-principles and tight-binding analysis of thermoelectricity in irradiated WSe2_2

This study demonstrates that monochromatic irradiation of zigzag monolayer WSe2_2 nanoribbons, modeled via a tight-binding Floquet framework and density functional theory, significantly enhances the thermoelectric figure of merit ($ZT > 1$) by reshaping electronic band structures and reducing lattice thermal conductivity through anharmonic scattering.

Cynthia Ihuoma Osuala, Tanu Choudhary, Raju K. Biswas, Sudin Ganguly, Santanu K. Maiti2026-02-27