cond-mat.mtrl-sci

Fully Atomic-Layer-Deposited Vertical Complementary FeRAM with Ultra-High 2Pr > 100 uC/cm2 and High Endurance > 1E10 cycles

This paper presents an all-atomic-layer-deposited vertical complementary FeRAM architecture that utilizes a differential polarization summation scheme to achieve an ultra-high effective remanent polarization exceeding 100 uC/cm² and endurance beyond 10¹⁰ cycles, effectively overcoming the intrinsic limitations of traditional HfO₂-based ferroelectric memory.

Lattice dynamics and complete polarization analysis of Raman-active modes in LaInO$_3$

This study combines polarization-angle resolved Raman spectroscopy with density functional theory calculations to comprehensively identify, assign, and characterize the Raman-active phonon modes in orthorhombic LaInO$_3$, successfully extracting relative Raman tensor elements and confirming experimental frequencies through first-principles simulations.

Optimal spin-qubit hallmarks of sulfur-vacancy defects in 4H-SiC: Design from first principles

This first-principles study proposes a sulfur-vacancy defect (VSiSC) in 4H-SiC as an optimal optically controlled spin qubit, characterized by a stable spin-triplet ground state, sharp mid-gap electronic states, intense near-infrared optical excitations, and high spin-coherence times due to zero nuclear spin isotopes.

3D Finite Element-Based Multiphysics Simulation of a Shape Memory Alloy Hybrid Composite Module

The rich phase diagram of the prototypical iridate Ba$_2$IrO$_4$: Effective low-energy models and metal-insulator transition

This study employs a combination of ab initio techniques and dynamical mean-field theory to establish a three-band effective model for Ba$_2$IrO$_4$ that accurately captures its low-energy physics, revealing a rich phase diagram with a metal-insulator transition and providing insights into its similarities with high-temperature superconducting cuprates.

Kirchhoff's analogy for a planar ferromagnetic rod

This study extends Kirchhoff's kinetic analogy to planar soft ferromagnetic rods under external magnetic fields, revealing distinct pitchfork bifurcations and novel localized equilibrium solutions arising from homoclinic and heteroclinic orbits that are absent in purely elastic systems.

Hybrid micromagnetic and atomistic modeling of magnetization dynamics induced by engineered defects

This study introduces a 3D hybrid micromagnetic-atomistic modeling framework to investigate how engineered defects, specifically double-slit structures and tunable anisotropic tetrahedral clusters, influence magnetization dynamics by revealing spin wave interference patterns and controlling domain wall behavior and skyrmion stability.

Uni2D: A Universal Machine Learning Interatomic Potential for Two-Dimensional Materials

This paper introduces Uni2D, a universal machine learning interatomic potential trained on a vast dataset of 20,000 materials to accurately model diverse two-dimensional systems for high-throughput screening, complemented by an LLM-powered agent to automate simulation workflows.

An Extended Model of Non-Integer-Dimensional Space for Anisotropic Solids with q-Deformed Derivatives

This paper proposes a non-integer-dimensional model for anisotropic solids using q-deformed derivatives inspired by Tsallis statistics to derive thermodynamic properties that accurately match experimental data while linking the deformation parameter to microscopic disorder and memory effects.

Autonomous Multi-objective Alloy Design through Simulation-guided Optimization

The paper presents AutoMAT, an autonomous hierarchical framework that integrates large language models, automated CALPHAD simulations, and AI-guided optimization to efficiently discover and experimentally validate high-performance alloys, successfully identifying a lightweight titanium alloy and a high-entropy alloy with superior properties while compressing the discovery timeline from years to weeks.