Showing 1–20 of 38 results
/ Date/ Name
Aug 6, 2020Radiative capture rates at deep defects from electronic structure calculationsMar 7, 2021Nonadiabatic Born effective charges in metals and the Drude weightFeb 18, 2018Current-density implementation for calculating flexoelectric coefficientsDec 20, 2024Fermi-Liquid $T^2$ Resistivity: Dynamical Mean-Field Theory Meets ExperimentMay 24, 2016Correct implementation of polarization constants in wurtzite materials and impact on III-nitridesMay 18, 2021Quantum embedding methods for correlated excited states of point defects: Case studies and challengesMay 7, 2025Low-temperature transport in high-conductivity correlated metals: a density-functional plus dynamical mean-field study of cubic perovskitesJun 26, 2023Fully ab-initio all-electron calculation of dark matter--electron scattering in crystals with evaluation of systematic uncertaintiesMay 14, 2023Dielectric environment sensitivity of carbon centres in hexagonal boron nitrideOct 12, 2018Defect identification based on first-principles calculations for deep level transient spectroscopyNov 30, 2018Metric-wave approach to flexoelectricity within density-functional perturbation theoryNov 16, 2020First-principles study of the electronic, magnetic, and crystal structure of perovskite molybdatesMay 1, 2025Quantum Monte Carlo assessment of embedding for a strongly-correlated defect: interplay between mean-field and interactionsAug 30, 2022Ultra Localized Optoelectronic Properties of Nanobubbles in 2D SemiconductorsSep 30, 2019Giant polarization charge density at lattice-matched GaN/ScN interfacesJun 9, 2025Erbium-implanted WS2 flakes with room-temperature photon emission at telecom wavelengthsJun 11, 2025Electron-phonon origins of unconventional resistivity in moderately correlated perovskite oxidesDec 14, 2020Correlation-Induced Octahedral Rotations in SrMoO$_3$Jul 11, 2023Adiabatic dynamics of coupled spins and phonons in magnetic insulatorsAug 31, 2022Frequency splitting of chiral phonons from broken time reversal symmetry in CrI$_3$