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Every paper Pith has read. Search by title, abstract, or pith.
3322 papers in cond-mat.mtrl-sci · page 35
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Electrostatic screening predicts ionic crystal facets and shapes
Accelerated Prediction of Surface Stability and Particle Morphology in Ionic Crystals via Electrostatic Screening
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Strain tunes Hall conductivity in Fe but not Nernst via Berry curvature
Influence of strain on the anomalous Hall and Nernst effects in Fe thin films
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Janus FeSeX shows d-wave altermagnetism with topological gap
Coexistence of d-Wave Altermagnetism and Topological States in Janus FeSeX (X = S, Te) Monolayers
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All-organic 3D battery self-separates via generated SEI layer
All-organic self-separating three-dimensionally nanoarchitected electrochemical energy storage devices
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SrI2 annealing grows grains and brightens SrZn2P2 film emission
Thin film synthesis of SrZn2P2 with SrI2 post-annealing for enhanced crystallinity and optoelectronic quality
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Researchers measured electrical resistance changes under in-plane magnetic fields in…
Negative magnetoresistance in strained $\alpha$-Sn and $\alpha$-SnGe films in an in-plane magnetic field
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Platform applies uniform 5.5% strain to 2D materials
Achieving Large Uniaxial and Homogeneous Strain in Two-Dimensional Materials
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Quasi-2D C2N2O delivers 3.9 eV gap and 0.017 W/m.K heat flow
First-Principles Study of Structural, Electronic, Thermal, and Optical Properties of Quasi-2D C2 N2 O Using GGA and HSE06
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Mixture-of-experts potentials run atomistic simulations 2x faster
Mixture of Experts Framework in Machine Learning Interatomic Potentials for Atomistic Simulations
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Critical electric field erases Van der Waals effects on deposit structure
The effect of Van der Waals interaction on the microstructure of EPD deposits: a simulation study
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SIESTA adds hybrid functionals for large systems
Implementation of the hybrid exchange-correlation functionals in the SIESTA code
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Skyrmion correlations trigger relaxor-like dielectric peak inside ferroelectric phase
Hidden Crossover and Relaxor-Like Response from Emerging Polar Skyrmion Correlations in Ferroelectric Superlattices
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Domain size dictates latent heat in BaTiO3 membranes
Domain-induced control of latent heat in freestanding BaTiO$_3$ membranes
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GPU methods speed finite-element PAW DFT by 8-20x
Accelerating finite-element-based projector augmented-wave density functional theory calculations with scalable GPU-centric computational methods
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Euler class topology yields magnetononlinear Hall effect in MOFs
Magnetononlinear Hall effect from multigap topology in metal-organic frameworks
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Silver atoms stabilize B18Ag2 as bent double-ring boron cluster
Structure Prediction and Bonding Analysis of B$_{18}$Ag$_2$ Clusters Featuring Double-Ring Motifs
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DIC refines full EBSD geometry for map-wide consistency
Global DIC-based sample-detector geometry refinement for accurate EBSD indexing
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Disordered vacancies raise Tc from 7 K to 11 K
Bragg-Williams order competes with superconductivity
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Bayesian learning predicts CsPbI3 phase change from hundreds of calculations
Predicting challenging phase transitions with Bayesian active learning
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V2O5 forms rock salt phase with MgH2
Chemical transformation of MgH2/V2O5 composite to Mg-V-O rock salt and its influence on the electrochemical Li conversion and hydrogen storage characteristics of MgH2
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DFT+U eigenvalue gaps match fundamental gaps in perfect crystals
Validity of DFT+U band gaps in all its known functional forms
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Twisted stacking yields intrinsic bipolar altermagnet
Spin-Axis-Layer Locking for Intrinsic Bipolar Altermagnetic Semiconductors: Proof-of-Concept in Bilayer CuBr2
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Temperature reconfigures ENZ media for 0.1 per K optical response
Thermo-optic dynamics of effective epsilon-near-zero media
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Hydrogen ions toggle VO2 between collective and stepwise metal-insulator transitions
Collective and separate metal-insulator transitions in correlated vanadium dioxide
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Edge rerouting creates NOT and AND gates in Kane-Mele nanostructures
Binary topological logic gates in Kane-Mele nanostructures via local control of edge-state transport
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Mg2TmH6 hydrides combine storage
Physical properties of transition metal hydride superconductors Mg2TmH6 (Tm = Rh, Pd, Ir, Pt) by first-principles calculations
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Platinum defect in silicon drives fast nonradiative recombination
Substitutional platinum as an efficient nonradiative recombination center in silicon
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Moiré lattices tune topological Dirac states
Observation and Control of Moir\'e-Tailored Topological Dirac States
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Van der Waals membranes boost magnon-phonon coupling by 1000x
Magnomechanical Coupling in Suspended 2D van der Waals Ferromagnets
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Doping and temperature steer heat flow direction in 2D layers
Tuning magnitude and direction of lattice thermal conductivity in transition metal dichalcogenide heterobilayers
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Fluorination creates new superstructure inside La2NiO4 crystals
Topochemical Fluorination of La$_2$NiO$_{4+\delta}$ Single Crystals
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Benchmark shows ML bandgap models fail to generalize to experiments
Benchmarking bandgap prediction in semiconductors under experimental and realistic evaluation settings
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Gate doping brightens dark excitons asymmetrically in WSe2
Doping-Induced Brightening of Dark Excitons and Trions in a WSe$_2$ Monolayer
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Quasi-1D Fermi surfaces and flat molecular-orbital bands coexist in PbRe2O6
Electronic structures of spin-orbit-coupled metal candidate PbRe$_2$O$_6$: one dimensionality and molecular orbital formation
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Polymer vibrations drive lithium ion hopping in solid electrolytes
Fundamental picture of the conduction mechanism in solid-state polymer electrolytes revealed by terahertz spectroscopy
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High-harmonic spectra detect sliding ferroelectric polarization in WTe2
Probing sliding ferroelectricity in bilayer T$_\mathrm{d}$-WTe$_2$ with high-harmonic generation
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Surface ordering governs catalysis in high-entropy alloys
Thermodynamic surface reconstruction governs catalytic behavior in high-entropy alloys
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Double-q order sets in at 1.5 K in CeTe3 with reduced moments
Highly fluctuating double-$q$ magnetic order in the van der Waals metal CeTe$_3$
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Ultrafast lasers switch magnets in spintronics
From Ultrafast Demagnetization to Ultrafast Spintronics : a 30 years story
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LACBED determines Burgers vectors in β-Ga₂O₃
Determination of Burgers vectors of dislocations in monoclinic $\beta$-Ga$_2$O$_3$ crystals by large-angle convergent-beam electron diffraction
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LACBED determines Burgers vectors in β-Ga₂O₃ via node counts
Determination of Burgers vectors of dislocations in monoclinic $\beta$-Ga$_2$O$_3$ crystals by large-angle convergent-beam electron diffraction
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Multiple fins melt more PCM by using gaps between them
Heat Transfer in Phase Change Materials with Multiple Fin Insertion
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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