Superconductivity in high-pressure MnB4 is induced by altermagnetic spin fluctuations, yielding extended-s pairing symmetry.
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Giannozzi , author O
10 Pith papers cite this work. Polarity classification is still indexing.
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A new on-surface synthesis motif produces gulf-edged chiral graphene nanoribbons identified as closed-shell semiconductors with a 1.8 eV bandgap, distinctive Raman modes, and unexpected ambient instability.
BSE calculations find pristine 2H-Ge exciton lifetimes above 10^-4 s that shorten by nearly two orders with Si alloying and reach nanoseconds under 2% uniaxial strain, yet remain too long to explain observed strong room-temperature PL.
A honeycomb lattice of Aza-3-Triangulene and 2-Triangulene molecules is predicted to form a half-metallic ferrimagnet with fully spin-polarized flat-band conduction, zero net magnetization, and 50 meV exchange couplings for room-temperature stability.
The work identifies two distinct topological phases in bond-alternating spin-1 nanographene chains and proposes two specific molecular candidates whose phases can be distinguished by inelastic electron tunneling spectroscopy.
XRTS benchmark on warm dense Al demonstrates that uniform-electron-gas models overestimate plasmon resonance energy by up to 8 eV while ab initio calculations including disorder agree with experiment.
YbN thin films are insulating with a 1.7 eV band gap, showing LO and TO phonon modes plus a defect-induced absorption tail indicating the Fermi level lies in a disordered conduction band minimum.
DFT calculations show guest atom ionization potential controls stability and rattler motion in A8T27Pn19 clathrates, spin-orbit coupling matters for heavy elements, and synthesis yields new compounds but misses the target phases.
The choice of electron-positron correlation functional produces substantially different positron lifetime values in lead halide perovskites, especially for A-site vacancies, and may require reinterpretation of experimental measurements.
MACE-MPA-0 predicts Li diffusion Ea of 0.22 eV in LiF, fine-tuned version with 300 points gives 0.20 eV, close to DeePMD reference of 0.24 eV, using far less training data.
citing papers explorer
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Superconductivity induced by altermagnetic spin fluctuations in high-pressure MnB$_4$
Superconductivity in high-pressure MnB4 is induced by altermagnetic spin fluctuations, yielding extended-s pairing symmetry.
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Electronic and Vibrational Properties of On-Surface Synthesized Gulf-Edged Chiral Graphene Nanoribbons
A new on-surface synthesis motif produces gulf-edged chiral graphene nanoribbons identified as closed-shell semiconductors with a 1.8 eV bandgap, distinctive Raman modes, and unexpected ambient instability.
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Exciton radiative lifetimes in hexagonal diamond Ge and Si$_x$Ge$_{1-x}$ alloys
BSE calculations find pristine 2H-Ge exciton lifetimes above 10^-4 s that shorten by nearly two orders with Si alloying and reach nanoseconds under 2% uniaxial strain, yet remain too long to explain observed strong room-temperature PL.
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Prediction of room-temperature two-dimensional $\pi$-electron half-metallic ferrimagnets
A honeycomb lattice of Aza-3-Triangulene and 2-Triangulene molecules is predicted to form a half-metallic ferrimagnet with fully spin-polarized flat-band conduction, zero net magnetization, and 50 meV exchange couplings for room-temperature stability.
-
Two topological phases in exchange alternating spin-1 nanographene chains
The work identifies two distinct topological phases in bond-alternating spin-1 nanographene chains and proposes two specific molecular candidates whose phases can be distinguished by inelastic electron tunneling spectroscopy.
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A Momentum-Resolved X-ray Thomson Scattering Benchmark of Electronic-Response Models in Warm Dense Aluminium
XRTS benchmark on warm dense Al demonstrates that uniform-electron-gas models overestimate plasmon resonance energy by up to 8 eV while ab initio calculations including disorder agree with experiment.
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Optical, vibrational, and electronic properties of semiconducting YbN
YbN thin films are insulating with a 1.7 eV band gap, showing LO and TO phonon modes plus a defect-induced absorption tail indicating the Fermi level lies in a disordered conduction band minimum.
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Stability and superstructural ordering of alkali-triel-pnictide clathrates A$_8$T$_{27}$Pn$_{19}$
DFT calculations show guest atom ionization potential controls stability and rattler motion in A8T27Pn19 clathrates, spin-orbit coupling matters for heavy elements, and synthesis yields new compounds but misses the target phases.
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Challenges in predicting positron annihilation lifetimes in lead halide perovskites: correlation functionals and polymorphism
The choice of electron-positron correlation functional produces substantially different positron lifetime values in lead halide perovskites, especially for A-site vacancies, and may require reinterpretation of experimental measurements.
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Comparing fine-tuning strategies of MACE machine learning force field for modeling Li-ion diffusion in LiF for batteries
MACE-MPA-0 predicts Li diffusion Ea of 0.22 eV in LiF, fine-tuned version with 300 points gives 0.20 eV, close to DeePMD reference of 0.24 eV, using far less training data.