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Every paper Pith has read. Search by title, abstract, or pith.
3209 papers in cond-mat.mtrl-sci · page 10
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Bi-S network stabilizes cation disorder in AgBiS2
Bi-S network origin of cation-disorder stability and dispersive band edges in AgBiS2
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Satellite intensities from 24 Bragg peaks collapse to one curve
Crystallography of periodic nanotextures in a strained Mott insulator
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Per-atom polarizability tensors raise force-field accuracy for ions
Ab initio parametrization of distributed polarizable force fields
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Chitosan packaging shows life-cycle trade-offs that offset its green appeal
The Sustainability Paradox of Biodegradable Packaging: A Life Cycle Perspective on Chitosan-Based Food Packaging
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Nickelate THG peaks at metal-insulator transition
Evolution of terahertz third harmonic response across rare-earth nickelate phase-diagram
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VAE turns Kikuchi patterns into compact lattice genes
Lattice genome: representation and analysis of heterogeneous crystalline microstructures
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k-Means on fingerprints picks 30 configs matching full EAM fit
k-Means Clustering in Fingerprint-Based Configuration Selection for Fitting Interatomic Potentials
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Annealing removes excess Sr to yield stoichiometric STO on silicon
Stoichiometric Epitaxial Strontium Titanate Thin Films on Silicon by High-Temperature Sr Segregation
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Modified fluctuation relation explains excess crystal specific heat
Deviations from Debye's specific heat due to excess energy fluctuations
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Neural networks predict molecular properties to 8% average accuracy
Predicting Physical and Physical-Chemical Properties of Molecular-Based Materials Using Computational Neural Networks
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Segregation in TPD-TCTA glass films follows kinetically arrested nucleation
Controlled component segregation in vapor-deposited organic semiconductor glass mixtures
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Ab initio framework predicts RIXS in optically pumped graphite
First-principles description of pumped inelastic X-ray scattering: example of K-edge RIXS in graphite
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Agent platform cuts silent errors in electrolyte simulations
A Robust Agentic Framework for Expert-Level Automation of Atomistic Simulations
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Context metadata resolves ambiguity in atomic defect classification
Context-Aware Deep Learning for Defect Classification in Atomic-Resolution STEM
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New potential runs Pd-H nanoparticle simulations past 28,000 atoms
Hydride formation and phase separation in palladium nanoparticles from a transferable atomic cluster expansion potential
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Onsager reciprocity sets Raman tensors for all magnetic groups
The group theory of Raman effect in magnetic materials
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Framework recovers crystal size
Crystal Shape and Lattice Deformation in Powder Diffraction
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Periodic shifts let FeSe align on SrTiO3 without atomic matching
Unconventional incommensurate epitaxy of superconducting FeSe films on SrTiO$_3$
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Layer parity fixes uncompensated surface polarization in Nb3Cl8
Layer-parity-defined surface polarization in Nb$_3$Cl$_8$ for excitonic modulation at van der Waals interfaces
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Curvature selects defects and guides assembly in liquid crystal colloids
Curvature-guided topology and self-assembly in chiral nematics and liquid-crystal colloids
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Interface chemistry decides GaAs/Ga2O3 alignment type
The impact of interfacial chemistry on the band offset of GaAs/Ga$_2$O$_3$ heterostructures
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Type-II junction yields 94% selective thiophenol disulfide
Metal Halide Perovskite/Chalcohalide Heterojunctions for the Photoinduced Oxidative Coupling of p-substituted Thiophenols
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BSE+ removes spurious plasmons in 2D material loss spectra
BSE+ calculations for 2D materials: a unified description of excitons and plasmons
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Spin trimers in organic crystal produce magnetoelectric states
Designing electronic magnetoelectric matter with organic quantum spin trimers
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Skyrmion damping falls when RKKY coupling widens magnon gap
Anatomy of fast current-induced skyrmion motion in synthetic antiferromagnets
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AI groups perovskite instability studies into four tasks
Artificial Intelligence for Instability in Inorganic Perovskites: From Mechanism Discovery to Engineering Strategies
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MD sim of CoCrFeMnNi film yields phases matching experiments
Molecular dynamic simulation of multicomponent CoCrFeNiMn high-entropy alloy thin film deposition
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Strain and stacking yield spin-polarized currents in Ru2MoSe4
Symmetry-Breaking Induced Spin Transport and Magneto-Optical Regulation in 2D Altermagnet Ru2MoSe4
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Mn addition switches Cu alloy GB precipitates to film shape
Precipitate phase selection and grain boundary morphology in Cu-Ni-Si-Mn alloys: A machine-learning interatomic potential study
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Strain lifts on/off ratio from 69 to 156 in bilayer WSe2 GAA transistors
Valley Engineering in Bilayer WSe$_2$ Gate-All-Around Transistors
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Er substitution lowers ordering temperature in GdVO4
Chemical tuning of magnetic ordering and cryogenic magnetocaloric response in zircon-type Gd1-xErxVO4
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10% Er in GdVO4 raises low-T entropy change to 45.1 J/kgK
Chemical tuning of magnetic ordering and cryogenic magnetocaloric response in zircon-type Gd1-xErxVO4
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Muon signals identify polaron state of hydrogen in ceria
Local electronic structure and dynamics of hydrogen in $\text{CeO}_2$
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Every crystal surface hosts chiral phonons that create magnetic sheets
Chiral Surface Phonons
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Chiral angle controls 1D spin splitting in altermagnetic nanotubes
Chiral-Angle-Controlled Altermagnetic Spin Splitting in Nanotubes
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Entropy of Monte Carlo trajectories predicts alloy phases
Information Entropy Based Crystal Structure Prediction of Chemically Disordered Alloys via Graph Convolutional Neural Networks
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Isotope mixing tunes radiative heat flux twofold in boron arsenide
Nonperturbative isotope effect on light-matter interaction in boron arsenide
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Monolayer V2O proposed as 2D altermagnet with spin Hall effect
Novel 2D Altermagnetic Vanadium Oxide with a Buckled Lieb Structure
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Metavalent materials peak in phonon response at conductivity crossover
Divergent Coherent Phonon Responses Across the Metal-Insulator Crossover
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Vanadium doping multiplies niobate nanosheet H2 output by 4.7
V-Doped Niobate Nanosheets for Enhanced Photocatalytic Activity
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Diamane enlarges neutral stability window for group-IV centers
Dimensionality-Driven Charge Stabilization of Group-IV Color Centers in Diamond Ultrathin Films
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Shear bands form via screened nonlinear elastic instability
Shear Banding in Amorphous Solids as a Nonlinear Screened Soft Mode Instability
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Ligands clear surface states from 1.8 nm HgTe clusters
First-Principles Insights into Surface and Ligand Effects in Stoichiometric HgTe Quantum Dots
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Doped InO channels endure 650 C annealing in FeFETs
Thermal Processing Limits in Oxide-Channel Ferroelectric Field Effect Transistors
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Convex hull computes full phase diagrams from Gibbs grids
Computing phase diagrams using a convex hull algorithm
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Dynamical BSE solved for solids with atom-centered orbital basis
All-electron Dynamical Bethe-Salpeter Equation for Extended Systems with Atom-centered Orbital Basis Set
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Graph network predicts stress on unseen hole shapes
Mesh Graph Neural Network Framework for Accelerating Finite Element Simulation for Arbitrary Geometries
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Isocyanides form tetraaza radialenes and homochiral 2D crystals on gold
Steering Selective Formation and 2D Crystallization of [4]Radialenes on Au(111) via [1+1+1+1] Cycloaddition of Isocyanides and Enantioselective Molecular Recognition
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GP surrogate predicts DBR spectra 70 times faster
Machine-learning surrogate model for one-dimensional GaAs/Al$_{0.3}$Ga$_{0.7}$As distributed Bragg reflector spectra
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Lee-Yang zeros mark metastable phases in complex plane
Tracking metastable phases by complex Lee-Yang zeros