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Journal Articles

2024

‘Fraternal-twin’ ferroelectricity: competing polar states in hydrogen-doped samarium nickelate from first principles

M. Kotiuga; K. M. Rabe

Journal Of Physics-Condensed Matter. 2024-09-04. Vol. 36, num. 35, p. 355603. DOI : 10.1088/1361-648X/ad5091.

Journal Articles

2024

‘Fraternal-twin’ ferroelectricity: competing polar states in hydrogen-doped samarium nickelate from first principles

Non-negative matrix factorization-aided phase unmixing and trace element quantification of STEM-EDXS data

Electrodeposition of polyaniline on reduced graphene oxide/cotton yarn with tunable electrochemical performance for flexible textile supercapacitors

Exciton migration in two-dimensional materials

Carbazole Treated Waterproof Perovskite Films with Improved Solar Cell Performance

Magneto-Thermoelectric Transport in Graphene Quantum Dot with Strong Correlations

The high flux nano-X-ray diffraction, fluorescence and imaging beamline ID27 for science under extreme conditions on the ESRF Extremely Brilliant Source

Dual-frame optimization for informationally complete quantum measurements

Searching for the Thinnest Metallic Wire

Light Emission and Conductance Fluctuations in Electrically Driven and Plasmonically Enhanced Molecular Junctions

Memristive Control of Plasmon-Mediated Nonlinear Photoluminescence in Au Nanowires

Hydrogen-induced tunable remanent polarization in a perovskite nickelate

Alex’s Vision in Functional Quantum Matter

Intraday solar irradiance forecasting using public cameras

High Sodium Solubility in Magnesiowüstite in Iron-Rich Deep Lower Mantle

Orbital-Resolved DFT plus U for Molecules and Solids

Terahertz emission from diamond nitrogen-vacancy centers

Data-Intensive Exploration of the Photoelectrochemical Responses of Main-Group Metal Sulfides

Solvation Free Energies from Machine Learning Molecular Dynamics

Band Gap Renormalization at Different Symmetry Points in Perovskites

Tuning the color of high-karat gold in Au-TiO2 nanoparticle composites all the way to black

The rule of four: anomalous distributions in the stoichiometries of inorganic compounds (vol 10, 73, 2024 )

Large impact of phonon lineshapes on the superconductivity of solid hydrogen

Flash Melting Amorphous Ice

Magnetic structure and magnetoelectric properties of the spin-flop phase in LiFePO4

Molecular intercalation in the van der Waals antiferromagnets FePS3 and NiPS3

A compact approach to higher-resolution resonant inelastic x-ray scattering detection using photoelectrons

Large-cage occupation and quantum dynamics of hydrogen molecules in sII clathrate hydrates

Ultraviolet Superradiance from Mega-Networks of Tryptophan in Biological Architectures

Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange

Perspective Alkaline electrolyzers: Powering industries and overcoming fundamental challenges

The rule of four: anomalous distributions in the stoichiometries of inorganic compounds

Shaped Laser Pulses for Microsecond Time-Resolved Cryo-EM: Outrunning Crystallization during Flash Melting

Gargiulo et al. Reply

Electron Glass Phase with Resilient Zhang-Rice Singlets in LiCu3O3

Automated all-functionals infrared and Raman spectra

Performance polyamides built on a sustainable carbohydrate core

Field-controlled multicritical behavior and emergent universality in fully frustrated quantum magnets

Thouless pumping in Josephson junction arrays

High-resolution MHz time- and angle-resolved photoemission spectroscopy based on a tunable vacuum ultraviolet source

Open-source microscope add-on for structured illumination microscopy

Pressure stabilization effect on the donor-acceptor polyiodide chains in tetraethylammonium bis(diiodine) triiodide – insights from Raman spectroscopy

High-throughput screening of Weyl semimetals

Unravelling ultralow thermal conductivity in perovskite Cs2AgBiBr6: dominant wave-like phonon tunnelling and strong anharmonicity

Type-I antiferromagnetic Weyl semimetal InMnTi2

Magnetostriction-Driven Muon Localization in an Antiferromagnetic Oxide

On-site and intersite Hubbard corrections in magnetic monolayers: The case of FePS3 and CrI3

Weyl metallic state induced by helical magnetic order

High-Temperature Phase Transitions Preceding the Decomposition of Mixed Valence Aluminum Titanate Pseudobrookite

Influence of ionization and cumulative effects on laser-induced crystallization in multilayer dielectrics

Microsecond time-resolved cryo-electron microscopy

Distributed Temperature Alarm System Based on Incoherent Optical Time-Domain Reflectometry and Side Air-Hole Optical Fibers

AN EXACT BANDIT MODEL FOR THE RISK-VOLATILITY TRADEOFF

An intense source of very cold neutrons using solid deuterium and nanodiamonds for the European Spallation Source

Biomass screening for syngas production by flash photopyrolysis

Spin-Reorientation-Driven Linear Magnetoelectric Effect in Topological Antiferromagnet Cu3TeO6

Teaching about non-deterministic physics: an almost forgotten fundamental contribution of Marie Curie

Redox Properties of Flavin in BLUF and LOV Photoreceptor Proteins from Hybrid QM/MM Molecular Dynamics Simulation

Dual-shot approach for polarization retrieval through a scattering medium

Electronic structure and lattice dynamics of 1T-VSe2:Origin of the three-dimensional charge density wave

Disentangling Thermal from Electronic Contributions in the Spectral Response of Photoexcited Perovskite Materials

Multimaterial Volumetric Printing of Silica-Based Glasses

Finite-temperature vibronic spectra from the split-operator coherence thermofield dynamics

High-throughput determination of Hubbard U and Hund J values for transition metal oxides via the linear response formalism

High-order geometric integrators for the local cubic variational Gaussian wavepacket dynamics

Identification and thermal healing of focused ion beam-induced defects in GaN using off-axis electron holography

Femtosecond-laser direct-write photoconductive patterns on tellurite glass

2023

Optical and thermal characterization of a group-III nitride semiconductor membrane by microphotoluminescence spectroscopy and Raman thermometry

Understanding the role of Hubbard corrections in the rhombohedral phase of BaTiO3

Observation of the most H2-dense filled ice under high pressure

Structure, Spin Correlations, and Magnetism of the S=1/2 Square-Lattice Antiferromagnet Sr2CuTe1-xWxO6 (0 ≤ x ≤ 1)

Rapid low-cost hyperspectral imaging system for quantitative assessment of infantile hemangioma

Microscopic origin of polarization-entangled Stokes-anti-Stokes photons in diamond

Scalable angular spectrum propagation

Dynamical nuclear polarization for dissipation-induced entanglement in NV centers

Pressure-freezing of dodecane: exploring the crystal structures, formation kinetics and phase diagrams for colossal barocaloric effects in n-alkanes

Automated mixing of maximally localized Wannier functions into target manifolds

Complete field-induced spectral response of the spin-1/2 triangular-lattice antiferromagnet CsYbSe₂