Electron doping enhances s±-wave superconductivity in bulk La3Ni2O7 and its heterostructure with La3Al2O7, yielding highest Tc in the underdoped heterostructure via inter-orbital d_x2-y2 and d_z2 cooperation.
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DFT+U single-particle eigenvalue gaps match fundamental gaps from total energy differences for perfect crystals but fail for defects and molecules, proven analytically for every published functional variant.
pDOS-augmented GNN node features reduce Tc and ε∞ prediction errors by 22.9% and 27.9% versus elemental baselines, matching roughly a 1.7–1.8× increase in training data.
Symmetry analysis of ZnPc-MOF shows two-fold degenerate bands along Y lines in AB-stacked bilayers due to 2D irreps, polarization-dependent optical conductivity, and quasicrystalline states closer to the Fermi energy than in graphene.
Co2MnSn exhibits intrinsic Berry curvature-driven anomalous Hall conductivity ~500 S/cm and Nernst ~1.3 A/m/K at room temperature from topological Weyl points, enhanced to 1376 S/cm and 1.49 A/m/K at 150 K by Fermi level tuning.
Prediction of robust d-wave altermagnetism in RbCr2Se2O and the XCr2Y2O family with strain-induced net magnetization.
An unsupervised non-fully-connected deep neural network is applied to two-body systems with spin and isospin degrees of freedom and verified on the deuteron bound state.
citing papers explorer
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Enhanced $s^\pm$-wave superconductivity in electron-doped La$_3$Ni$_2$O$_7$
Electron doping enhances s±-wave superconductivity in bulk La3Ni2O7 and its heterostructure with La3Al2O7, yielding highest Tc in the underdoped heterostructure via inter-orbital d_x2-y2 and d_z2 cooperation.
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Validity of DFT+U band gaps in all its known functional forms
DFT+U single-particle eigenvalue gaps match fundamental gaps from total energy differences for perfect crystals but fail for defects and molecules, proven analytically for every published functional variant.
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Machine Learning Materials Properties by Encoding Orbital-Projected Density of States
pDOS-augmented GNN node features reduce Tc and ε∞ prediction errors by 22.9% and 27.9% versus elemental baselines, matching roughly a 1.7–1.8× increase in training data.
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Symmetry-directed electronic and optical properties in a two-dimensional square-lattice ZnPc-MOF
Symmetry analysis of ZnPc-MOF shows two-fold degenerate bands along Y lines in AB-stacked bilayers due to 2D irreps, polarization-dependent optical conductivity, and quasicrystalline states closer to the Fermi energy than in graphene.
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Intrinsic Berry Curvature Driven Anomalous Hall and Nernst Effect in Co$_2$MnSn
Co2MnSn exhibits intrinsic Berry curvature-driven anomalous Hall conductivity ~500 S/cm and Nernst ~1.3 A/m/K at room temperature from topological Weyl points, enhanced to 1376 S/cm and 1.49 A/m/K at 150 K by Fermi level tuning.
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Robust $d$-wave altermagnetism in $\mathrm{XCr_2Y_2O}$ (X=K, Rb, Cs; Y=S, Se, Te) family
Prediction of robust d-wave altermagnetism in RbCr2Se2O and the XCr2Y2O family with strain-induced net magnetization.
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A neural network approach for two-body systems with spin and isospin degrees of freedom
An unsupervised non-fully-connected deep neural network is applied to two-body systems with spin and isospin degrees of freedom and verified on the deuteron bound state.