🔬 Category

cond-mat.mtrl-sci

2806 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.

Pressure and strain tuning of the alternating bilayer-trilayer Ruddlesden-Popper nickelate: crystal and electronic structure

This study utilizes first-principles calculations to demonstrate that hydrostatic pressure and biaxial compressive strain both suppress octahedral tilts in the hybrid bilayer-trilayer nickelate La7_7Ni5_5O17_{17} to stabilize a tetragonal C2/cC2/c structure, yet they induce distinct electronic behaviors by causing the trilayer dz2d_{z^2} band to cross the Fermi level under pressure while keeping it below the Fermi level under strain.

Huan Wu, Yi-Feng Zhao, Antia S. Botana2026-03-18🔬 cond-mat.mtrl-sci

Nonmagnetic Ground State of Rutile RuO2_2 from Diffusion Quantum Monte Carlo

Using fixed-node diffusion quantum Monte Carlo, this study resolves the debate over the magnetic ground state of bulk rutile RuO2_2 by demonstrating that it is nonmagnetic in its pristine structure but can be stabilized into an antiferromagnetic state under 3% compressive strain, thereby reconciling conflicting experimental reports.

Jeonghwan Ahn, Seoung-Hun Kang, Panchapakesan Ganesh, Jaron T. Krogel2026-03-18🔬 cond-mat.mtrl-sci

Pressure-driven vibrational and structural peculiarities in the honeycomb layered magnetoelectrics Mn4(B)2O9 (B= Nb, Ta)

This study investigates the high-pressure behavior of honeycomb layered magnetoelectrics Mn4Nb2O9 and Mn4Ta2O9 using Raman spectroscopy, synchrotron X-ray diffraction, and DFT calculations, revealing that pressure induces multiple isostructural transitions driven by local symmetry breaking and anisotropic lattice compression, ultimately leading to a long-range P-3c1 to P2/c structural phase transition with distinct pressure thresholds and mechanisms influenced by the differing spin-orbit coupling and orbital hybridization of Nb and Ta cations.

Rajesh Jana, Afsal S Shajahan, Boby Joseph, Brahmananda Chakraborty, Irshad K A, Anuj Upadhyay, Alka Garg, Rekha Rao, Thomas Meier2026-03-18🔬 cond-mat.mtrl-sci

Optimizing Density Functional Theory for Strain-Dependent Magnetic Properties of Monolayer MnBi2_2Te4_4 with Diffusion Monte Carlo

This study utilizes diffusion Monte Carlo to benchmark and optimize the Hubbard UU parameter in DFT+UU calculations for strained monolayer MnBi2_2Te4_4, revealing that a strain-dependent UU following a quadratic form is essential for accurately capturing the material's magnetic properties.

Jeonghwan Ahn, Swarnava Ghosh, Seoung-Hun Kang, Dameul Jeong, Markus Eisenbach, Young-Kyun Kwon, Fernando A. Reboredo, Jaron T. Krogel, Mina Yoon2026-03-18🔬 cond-mat.mtrl-sci

Dopability limits in Al-rich AlGaN alloys for far-UVC LEDs

This study reveals that the poor n-type conductivity in Al-rich AlGaN alloys, which hinders far-UVC LED performance, is primarily caused by Si dopants forming compensating negative-U DX centers on minority Ga sites and carbon impurities, findings that underscore the necessity of explicit alloy modeling and proper band gap temperature treatment to accurately predict carrier concentrations.

Ling Zhang, Miao Zhou, Alex M. Ganose2026-03-18🔬 cond-mat.mtrl-sci

Tuning Cu/Diamond Interfacial Thermal Conductance via Nitrogen-Termination Engineering

This study demonstrates that engineering nitrogen termination on diamond surfaces significantly enhances Cu/diamond interfacial thermal conductance by 21% through surficial mass modification and bonding regulation that selectively modulates high-frequency phonon transport, offering a promising non-metallic strategy to overcome interfacial limitations in Cu-diamond composites.

Guang Yang, Xinling Tang, Zhongkang Lin, Yulin Gu, Wei Hao, Yujie Du, Xiaoguang Wei2026-03-18🔬 cond-mat.mtrl-sci

First-Principles Investigation of the Pressure Dependent Physical Properties of Intermetallic Kagome ZrRe2

This study employs density functional theory to comprehensively investigate the pressure-dependent structural, electronic, mechanical, thermophysical, vibrational, and optical properties of the intermetallic Kagome compound ZrRe2, revealing its stability up to 25 GPa, the pressure-induced vanishing of topological features, a potential charge density wave phase, and a decrease in superconducting transition temperature due to weakened electron-phonon coupling.

Mst. Irin Naher, A. F. M. Yusuf Haider, Dholon Kumar Paul, Md Lutfor Rahman, Firoze H. Haque, Saleh Hasan Naqib2026-03-18🔬 cond-mat.mtrl-sci

Advances in the Fabrication of On-chip Superconducting Integral Field Units for CMB and Line-Intensity Astronomy

This paper addresses the fabrication challenges of on-chip superconducting integral field units for CMB and line-intensity astronomy by introducing novel components and techniques—including polarization-sensitive crossovers, optimized lithography, dielectric layer deposition, and yield-improving short removal—to successfully fabricate a fourteen-spaxel spectrometer array.

L. G. G. Olde Scholtenhuis, D. Perez Capelo, K. Karatsu, D. J. Thoen, A. J. van der Linden, S. O. Dabironezare, L. H. Marting, J. J. A. Baselmans, S. Vollebregt, A. Endo2026-03-18🔬 cond-mat.mtrl-sci

Ligand-Controlled Phonon Dynamics in CsPbBr3 Nanocrystals Revealed by Machine-Learned Interatomic Potentials

By employing machine-learned interatomic potentials to overcome the computational limitations of ab initio methods, this study reveals how cationic and anionic surface ligands systematically modulate key phonon modes in CsPbBr3 nanocrystals, offering critical design principles for minimizing nonradiative losses in next-generation optoelectronics.

Seungjun Cha, Chen Wang, Victor Fung, Guoxiang Hu2026-03-18🔬 cond-mat.mtrl-sci