penta materials, Superconductivity, first-principles, electron-phonon coupling
Quintuple-layer Al2O3, polarization, induced charge, semiconductor-metal transition, first-principles calculations
non-collinear magnetism, First-principles calculation, magnetic ground state, electronic properties
U-based alloy, strong correlated system, First-principles, Mechanical Property, phonon spectrum
cathode, LiNi0.5Mn1.5O4, spinel phase, temperature-dependent, phase composition
heavy fermion superconductor, strong correlation, 5f electrons, UPt3, first-principles
