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

Native defects and erbium impurities in CaWO4

This study employs hybrid density functional calculations to characterize the energetics, optical properties, and migration barriers of native defects and erbium impurities in CaWO4_4, revealing that oxygen-related defects drive optical transitions while erbium's stability and emission quality depend on its charge state, complex formation, and the removal of interstitials through annealing.

Minseok Choi, Mark E. Turiansky, BaiQing Zhao, Jeff D. Thompson, Chris G. Van de Walle2026-05-26
🔬 materials science

Edge Dislocation Mediated Anomalous Charge Transfer in Face Centered Cubic High Entropy Alloys

This study employs large-scale ab initio calculations to reveal that edge dislocations in face-centered cubic high-entropy alloys induce anomalous charge redistribution driven by collective electronegativity equalization and magneto-volume fluctuations, thereby establishing a critical coupling between electronic structure and local volumetric response that informs future solid-solution strengthening models and alloy design strategies.

Gautam Anand, Swarnava Ghosh, Suman Chabri, Markus Eisenbach2026-05-26
🔬 materials science

Exploring Multi-Transition-Metal NASICON Frameworks as High-Performance Cathodes for Sodium-Ion Batteries

This study employs density functional theory to systematically investigate nine multi-transition-metal NASICON cathodes for sodium-ion batteries, revealing that mixed-metal frameworks enhance sodium ion mobility and phase stability, ultimately identifying Nax_xMnFe0.5_{0.5}Cr0.5_{0.5}(PO4_4)3_3 as a promising high-performance candidate for experimental validation.

Santosh Behara, Achinthya Krishna Bheemaguli, Gopalakrishnan Sai Gautam2026-05-26
🔬 materials science

Composition-Driven High-Entropy Alloys with Enhanced Magnetocaloric Properties

By combining experiments and first-principles modeling, this study demonstrates that tuning the copper content in earth-abundant Fe-Ni-Co-Cr-Cu high-entropy alloys effectively controls their Curie temperature and magnetocaloric performance, providing a quantitative design guideline for optimizing these materials for specific cooling applications.

Nishant Tiwari, Juan Rafael Gomez Quispe, Noorbasha Bhavani Sai, Saikat Talapatra, Pedro Alves Da Silva Autreto, Varun C (…)2026-05-26
🔬 materials science

Thermal PBE in warm dense matter: Does it matter and is it accurate?

This paper demonstrates that implementing the thermal Perdew-Burke-Ernzerhof (PBE) functional within Kohn-Sham density functional theory significantly improves the accuracy of warm dense matter simulations—matching path integral Monte Carlo reference data for energies, forces, pressures, and charge densities at negligible computational cost.

Kushal Ramakrishna, Mani Lokamani, Zhandos A. Moldabekov, Tobias Dornheim, Kieron Burke, Attila Cangi2026-05-26
🔬 materials science

Effects of Band Symmetry on Spin-Dependent Transport in Noncollinear Antiferromagnetic Tunnel Junctions

This study demonstrates that while Mn3NiN/LaAlO3/Mn3NiN antiferromagnetic tunnel junctions exhibit exceptionally large tunneling magnetoresistance exceeding 2000%, the specific magnitude of this effect is critically governed by band symmetry filtering and orbital-symmetry selection rules rather than spin polarization alone.

Mohamed Elekhtiar, Ding-Fu Shao, Evgeny Y. Tsymbal2026-05-26
🔬 materials science

Three-Dimensional Atomic-Scale Structural Transformation in a SrTiO3 Grain Boundary

Using multislice electron ptychography, this study resolves the depth-dependent 3D atomic structure of a SrTiO3 grain boundary, revealing a hidden transition between symmetric and asymmetric configurations driven by local chemical variations and atomic displacements that fundamentally link structural inhomogeneity to functional properties.

Xiaoyue Gao, Jiake Wei, Bo Han, Junpin Luo, Ruilin Mao, Xiaowen Zhang, Xiaomei Li, Ryo Ishikawa, Bin Feng, Naoya Shibata (…)2026-05-26
🔬 materials science

Experimental and computational diffusion analysis in Ni-X binary and Ni-Al-X (X = Cr, Mo, Ta, W, Re) ternary systems

This study presents a comprehensive experimental and computational analysis of diffusion in Ni-X binary and Ni-Al-X ternary systems, revealing that while main interdiffusion coefficients remain comparable to their binary counterparts, cross-diffusion effects significantly influence fluxes, and establishing a robust framework that combines first-principles calculations with physics-informed neural networks to accurately model composition-dependent diffusion across the full range.

Ankur Srivastava, Suman Sadhu, Satyam Kumar, Ujjval Bansal, Raju Ravi, Saswata Bhattacharyya, Gopalakrishnan Sai Gautam (…)2026-05-26
🔬 materials science

Disentangling the contributions of individual cations to magnetic order in a spinel high entropy oxide

This study utilizes element-specific XMCD measurements to reveal that while magnetic transitions in ferrimagnetic spinel high entropy oxides occur simultaneously across all cations, the growth rates of individual magnetic moments vary significantly based on crystal field fillings and competing exchange pathways, a disparity that can be mitigated by non-magnetic substitution to relieve magnetic frustration.

Mario Ulises González-Rivas, Chun-Fu Chang, Martin Bluschke, Jessica Freese, Peter Bencok, Ronny Sutarto, Teak D. Boyko (…)2026-05-26