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3330 papers in cond-mat.mtrl-sci · page 36
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High-index walls switch thick undoped AlN at low fields
Proximity Ferroelectricity Driven by Mobile High-Miller-Index Domain Walls
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MnSb2 transport data shows flat band near Fermi level
Flat band in multiband-metal MnSb$_2$
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0.21% strain boosts GaN thermal conductivity by 23%
Reversible Modulation of Thermal Conductivity in GaN via Strain-Driven Reorganization of Dislocation Ensembles
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uMLIPs err far more in dynamic hot MOF tests than static checks
Benchmarking Universal Machine-Learned Interatomic Potentials for High-Temperature Metal-Organic Framework Chemistry
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Core excitations narrow Kohn-Sham bands to match ARPES data
Kohn-Sham Hamiltonian from Effective Field Theory: Quasiparticle Band Narrowing from Frozen Core Dynamics
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Symmetry breaking in Kohn-Sham DFT captures strong correlation
Identifying strong correlation using only the Kohn-Sham density of one-electron states
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Electric field orders water ice monolayer via interface charge
Electric-field control of hydrogen bonding via interfacial charge at atomic resolution
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NV center spectra calculate diamond Fermi energy
Determination of the Fermi Energy of Diamond using Photoluminescence Spectral Analysis
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Pulse order tunes energy absorption in silicon
Ultrafast Energy Absorption in Silicon Controlled by Two-Color Double Pulses
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Random material properties reshape metamaterial response
Influence of Heterogeneity on the Response of Architected Metamaterials
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This paper runs direct numerical simulations of Rayleigh-Bénard convection using water's…
Non-Oberbeck-Boussinesq effects in coldwater
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Entropy traps large spheres at icosahedral vertices
Entropic Trapping of Hard Spheres in Spherical Confinement
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Sol-gel DRX forms via both classical and direct amorphous routes
Visualizing Crystallization Dynamics and Transformation Pathways of Disordered Rocksalt Oxides During Thermally Activated Sol-Gel Synthesis
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Neural net predicts lift forces without channel geometry
Geometry-free prediction of inertial lift forces in microfluidic devices using deep learning
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Boron doping lifts Na-ion cathode capacity to 163 mAh/g
Improved Electrochemical Performance and Diffusion kinetics by Boron-doping in Na$_{0.66}$Mn$_{0.8}$Fe$_{0.2}$O$_{2}$ Layered Cathodes for Sodium-Ion Batteries
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Pentacene forms ordered layer on WS2 with type-II alignment
Bottom-up realization of a type-II organic-TMD heterointerface: Pentacene on monolayer WS2
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Rotation and flip protocol yields true CD in anisotropic films
A step-by-step workflow to extract the genuine circular dichroism of thin films
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Traps modify band transport in quasi-2D AOS FET channels
Physical Basis for Band Transport and Dimensionality in Amorphous Oxide Semiconductor Field-Effect Transistors
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Calibrated ML potentials match experiments on liquid densities
Errors that matter: Uncertainty-aware universal machine-learning potentials calibrated on experiments
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Shear strain adds triclinic deformation visible only in non-specular rods
Step- and terrace-resolved crystal truncation rod scattering from vicinal surfaces under coherent heteroepitaxy
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Strain transforms arsenic monolayers via orbital band inversions
Electronic and optical properties of arsenic monolayers: from planar honeycomb to the puckered phase
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Purified CaWO4 films cut tungsten nuclear spins tenfold
Isotopically enriched epitaxial CaWO$_{4}$ thin films for Er$^{3+}$ spin-photon quantum interfaces
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1.62 trillion atoms simulated with quantum accuracy
Trillion-atom molecular dynamics simulations with ab initio accuracy
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FORC maps reversal pathways in artificial spin ice
Mapping Reversal Pathways and Interaction Fields in Artificial Spin Ice
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Double-layer LiTaO3 hits 25.7% coupling for SH2 mode
Complementary-polarity double-layer LiTaO3 resonators for symmetry-selective SH2 excitation with ultrahigh electromechanical coupling (kt^2 = 25.7%)
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Temperature reshapes ion tracks in gallium nitride from segments to channels
Atomistic Mechanisms of Temperature-Dependent Ion Track Formation in Gallium Nitride under Swift Heavy Ion Irradiation
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Nitrogen doping creates symmetry-preserving MIT in VO2
Nitrogen doping induced metal-insulator transition with iso-symmetric character in rutile VO2
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Mean-field approximation overestimates crack film conductivity by 13-79%
Electrical conductivity of crack-template-based transparent conducting films: mean-field approximation, effective medium theory, and simulation
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Defect-interface fit sets MoS2 phase change speed
Phase transformation kinetics in MoS2 governed by S-S repulsive interactions and defect-interface compatibility
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Ion damage reaches 11.5 μm deep in β-Ga2O3 except on (001)
Evidence of Micron-Scale Ion Damage in (010), (110), and (011) ${\beta}-Ga_2O_3$ Epitaxial Layers
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Replica bands show TMD electrons couple to remote hBN phonons
Electron-phonon coupling across the TMD/hBN van der Waals interface
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Hollow CaFe2O4 spheres exhibit colossal negative permittivity
Geometry selective colossal negative dielectric permittivity in CaFe2O4 nanostructures
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Photoshunt hides fill-factor loss unless silicon bottom cell is over-illuminated
Characterizing Fill Factor Limitations in Perovskite-Silicon Tandem Solar Cells
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Spin diffusion length separates damping paths for thermal and electrical magnons
Understanding Damping Mechanisms via Spin Diffusion Length in Low-damping Li$_{0.5}$Al$_{1.0}$Fe$_{1.5}$O$_4$ Spinel Ferrite Thin Films
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EDMR detects clock transitions in arsenic donors via linewidth broadening
Electrically detected magnetic resonance of $^{75}$As magnetic clock transitions in silicon
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Pressure controls breathing but not memory in solid batteries
Interfacial breathing as a dynamic failure law in all-solid-state batteries: amplitude, phase lag and dual-timescale memory as design principles
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Spin gap closes at J_d/J_b ~1.4 in frustrated antiferromagnet
Spin excitation of the Heisenberg antiferromagnet with frustration: from the bounce-lattice antiferromagnet through the maple-leaf-lattice antiferromagnet to the exact-dimer system
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Copper doping tunes SrNi2P2 for room-temperature shape memory
Room-temperature shape-memory effect in Sr(Ni$_{1-x}$Cu$_x$)$_2$P$_2$
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Gamma phase predicted for Bi4Br4 as 3D topological ferroelectric
Three-dimensional topological ferroelectrics
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Magnon diffusion lengths match along two axes in ferrite films
Nearly Isotropic Magnon Transport in Epitaxial Lithium Aluminum Ferrite Thin Films
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Phase separation begins at x~0.3 in indium-gallium oxide alloys
Optical Properties of Indium-Gallium-Oxide Microcrystalline Alloy Films: From the Visible to the Deep-UV
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Agnostic sampling locates spin-wave signals faster than physics planning
Accelerating Quantum Materials Characterization: Hybrid Active Learning for Autonomous Spin Wave Spectroscopy
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Physics rules in architecture and curriculum beat attention alone for diffraction symmetry
Attention Is Not All You Need for Diffraction
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AI agent verifies four new superconductors
Agentic Fusion of Large Atomic and Language Models to Accelerate Superconductor Discovery
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Graph neural net predicts HEA energies at first-principles RMSE
Crystal Fractional Graph Neural Network for Energy Prediction of High-Entropy Alloys
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SnV ZPL relative shift holds at 43 nm
Modeling the Zero-Phonon Line of Strained SnV Centers in Diamond; Including Reflections on Computational Cost and Accuracy
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Gels need stressed-state expansions for accurate mechanics
Constitutive relations for colloidal gel
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Disorder sustains coherent spin waves in YBaCuFeO5
Coherent spin waves in a maximal entropy phase
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Biquadratic terms required for accurate Cr8 and V8 ring spectra
Magnetic interactions and spin orders in Cr$_8$ and V$_8$ ring-shaped molecular magnets from non-collinear ab initio calculations
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Amorphous phase explains plutonium's 4 K shrinkage
Amorphous High Density Plutonium