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.

Band gap renormalization, carrier mobility, and transport in Mg $_{2}$ Si and Ca $_{2}$ Si: \textit{Ab initio} scattering and Boltzmann transport equation study

This study employs first-principles electron-phonon interaction calculations and the Boltzmann transport equation to comprehensively analyze the temperature-dependent band gaps, carrier mobilities, and thermoelectric transport properties of Mg $_2$ Si and Ca $_2$ Si, demonstrating that accurately accounting for electron-phonon scattering is critical for predicting experimental mobility and thermoelectric performance while identifying nanostructuring as a viable strategy to enhance their figure of merit.

Vinod Kumar Solet, Sudhir K. Pandey2026-04-07🔬 physics.app-ph

Atomistic mechanism and interface-structure-energetics of van der Waals epitaxy demonstrated by layered alpha-MoO3 growth on mica

This study elucidates the atomistic mechanism of van der Waals epitaxy for $\alpha$ -MoO $_3$ on mica by combining experimental characterization of stress-free, multi-oriented growth with ab initio calculations that identify specific Mo-K proximity as the key driver for interface energetics, thereby establishing a predictive framework for designing stress-free epitaxial films of layered materials.

Faezeh A. F. Lahiji, Davide G. Sangiovanni, Biplab Paul, Justinas Palisaitis, Per O. A. Persson, Arnaud le Febvrier, Ganpati Ramanath, Per Eklund2026-04-07🔬 cond-mat.mtrl-sci

Phonon dynamics of a bulk WSe $_2$ crystal excited by ultrashort near-infrared pulses

Pump-probe reflectivity measurements on a bulk WSe $_2$ crystal excited by ultrashort near-infrared pulses reveal phonon dynamics characterized by intense oscillations around 7.5 THz and smaller peaks at 4.0 and 11.5 THz, which are well reproduced by simulations superimposing three distinct oscillatory modes.

Itsuki Kasai, Itsuki Takagi, Kazutaka G. Nakamura2026-04-07🔬 cond-mat.mtrl-sci

Intervalley-Coupled Twisted Bilayer Graphene from Substrate Commensuration

This paper proposes that aligning twisted bilayer graphene with specific commensurate insulating substrates induces intervalley coupling and spin-orbit interactions, transforming the system into a geometrically frustrated four-band model that hosts topological flat bands with high spin Chern numbers near the magic angle.

Bo-Ting Chen, Michael G. Scheer, Biao Lian2026-04-07🔬 cond-mat.mes-hall

Many-body \textit{ab initio} study of quasiparticles, optical excitations, and excitonic properties in LiZnAs and ScAgC for photovoltaic applications

This study employs first-principles many-body calculations to demonstrate that the half-Heusler compounds LiZnAs and ScAgC are direct bandgap semiconductors with strong optical absorption, Mott-Wannier excitons, and high theoretical solar efficiencies (31–32%), making them promising candidates for thin-film photovoltaic applications.

Vinod Kumar Solet, Sudhir K. Pandey2026-04-07🔬 cond-mat.mtrl-sci

Composition Design of Shape Memory Ceramics based on Gaussian Processes

This study demonstrates that while Gaussian process machine learning effectively predicts lattice parameters and compositions for ZrO $_2$ -based shape memory ceramics, the metal alloy-derived design criteria used to identify a low-hysteresis candidate failed to account for critical ceramic-specific factors, resulting in a composition with unexpectedly high thermal hysteresis.

Ashutosh Pandey, Justin Jetter, Hanlin Gu, Eckhard Quandt, Richard D. James2026-04-07🔬 cond-mat.mtrl-sci

Higher-order topological corner states and edge states in grid-like frames

This paper presents concise analytical expressions and existence criteria for higher-order topological corner, edge, and bulk states in two-dimensional continuum grid-like frames, demonstrating their robustness and enabling direct engineering applications despite complex spectral overlaps.

Yimeng Sun, Jiacheng Xing, Li-Hua Shao, Jianxiang Wang2026-04-07🔬 cond-mat.mes-hall

Electron-electrolyte coupling in AC transport through nanofluidic channels

This paper investigates AC-driven transport in nanofluidic channels to reveal how capacitive coupling between channel wall electrons and electrolyte ions creates distinct frequency-dependent signatures, modifies electro-osmotic flows, and establishes a comprehensive transport matrix linking ionic, electronic, and hydrodynamic phenomena.

Baptiste Coquinot, Mathieu Lizée, Lydéric Bocquet, Nikita Kavokine2026-04-07🔬 cond-mat.mes-hall

Significant first-principles electron-phonon coupling effects in the LiZnAs and ScAgC half-Heusler thermoelectrics

This study employs comprehensive first-principles computations to reveal that significant electron-phonon coupling effects, combined with nanostructuring, substantially enhance the thermoelectric figure of merit in LiZnAs and ScAgC half-Heusler compounds, achieving peak $zT$ values of 1.53 and 1.0, respectively.

Vinod Kumar Solet, Sudhir K. Pandey2026-04-07🔬 physics.app-ph

High-throughput computational framework for lattice dynamics and thermal transport including high-order anharmonicity: an application to cubic and tetragonal inorganic compounds

This paper presents a high-throughput computational framework that integrates higher-order anharmonic effects, including phonon renormalization and four-phonon scattering, to accurately predict lattice thermal conductivity across 773 inorganic compounds, revealing that while standard methods suffice for many materials, these advanced corrections are critical for identifying extreme thermal behaviors in highly anharmonic systems.

Zhi Li, Huiju Lee, Chris Wolverton, Yi Xia2026-04-07🔬 cond-mat.mtrl-sci

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cond-mat.mtrl-sci

Band gap renormalization, carrier mobility, and transport in Mg2_{2}2​Si and Ca2_{2}2​Si: \textit{Ab initio} scattering and Boltzmann transport equation study