Alterelectricity is introduced as switchable states with alternating band structures arising from sublattice-selective structural changes related by non-inversion symmetry, with realizations in bilayer sliding and ferroelectric materials plus a proposed tunnel junction application.
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27 Pith papers cite this work. Polarity classification is still indexing.
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Raman optical activity is observed in ferroaxial NiTiO3 and originates from the ferroaxial order even within the electric dipole approximation.
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.
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.
The asdf method equates the conditional Shannon entropy of residual mappings between decorrelated microstates to the exact thermodynamic entropy from the canonical partition function for the ideal gas and 1D harmonic oscillator.
Prediction of a quantized spin circular photogalvanic effect in altermagnetic Weyl semimetals, enabled by symmetry classification and confirmed in a tight-binding model and material candidate.
First-principles calculations identify a pressure-tunable antipolar phase in hexagonal LaN with antiferroelectric-like behavior and a switchable energy barrier to the wurtzite polar phase.
Interacting donor-acceptor pairs in hBN, with separations controlling charge transfer and spin coupling, produce the observed coupled spin-optical signals including modulated zero-phonon lines and ODMR contrast.
Carbon defects in TMD bilayers are computationally shown to enable room-temperature defect-mediated quantum emission at telecom wavelengths with material-dependent optical fingerprints.
CaAgBi is predicted to be a Dirac-Weyl semimetal with 18 pairs of dual-type Weyl points whose positions and annihilation can be tuned by alloy engineering and external strain.
Edelstein effect is intrinsic in 2H-VTe2 with magnetization-dependent spin components that become stacking-tunable in bilayers via interlayer sliding.
A new equivariant space group framework constructs magnetic Hamiltonians with explicit dependence on magnetic order orientation n, enabling analysis of dynamics-driven topological pumping and ab-initio modeling of real materials.
Non-Abelian multigap topology with Euler class invariants in kagome NHC MOFs induces a controllable magnetononlinear Hall effect.
Graphene antidot superlattices develop interaction-induced i-wave altermagnetic spin splitting from their intrinsic magnetic instability.
Bloch-UPAW integrates Bloch orbitals and local UPAW corrections to enable lower-resource fault-tolerant quantum simulations of solids, showing roughly 10x Toffoli reduction for bulk diamond.
Monolayer CrCX3 and Janus Cr2C2S3Se3 compounds realize 2D higher-order topological insulator phases protected by C3 symmetry, hosting corner states with fractional charges even under spin-orbit coupling.
First-principles simulations find denser hydrogen at planetary conditions, implying lower bulk metallicity for Jupiter.
DFT calculations reveal magnetic phase transitions with film thickness in freestanding LaVO3, recovering bulk C-AFM beyond four layers, with surface charge transfer inducing mixed magnetic states and hole doping producing ferromagnetism plus striped charge order.
First-principles and tight-binding calculations on three FI/TI van der Waals stacks predict a magnetization-induced gap that supports half-quantized anomalous Hall conductance of e²/2h.
Averaged covalent and ionic bond strengths correlate with and can estimate oxygen vacancy migration barriers across rutile 3d transition-metal dioxides after fitting two parameters to DFT data.
Frustrated out-of-plane DMI favors atomic-scale 3q magnetic textures in Fe3GeXTe monolayers at moderate DMI scaling factors, evolving toward nanoskyrmion-like states at higher amplitudes.
Rhombohedral graphene multilayers show an isospin cascade of electron crystal phases with non-zero Chern numbers and nearly degenerate topological states hosting extended quantum anomalous Hall effect as carrier density rises.
Raman measurements and ab initio calculations show anisotropic electron-phonon coupling and chiral phonons in room-temperature ferromagnetic Fe5GeTe2.
Theoretical calculations for S/F/S Josephson junctions with GdIr2Si2 thin films predict an anomalous phase shift of order unity and a magnetization-tunable Josephson diode effect with efficiency up to 0.3.
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On the Mathematics of Information-Thermodynamics
The asdf method equates the conditional Shannon entropy of residual mappings between decorrelated microstates to the exact thermodynamic entropy from the canonical partition function for the ideal gas and 1D harmonic oscillator.