Showing 1–19 of 19 results
/ Date/ Name
Sep 20, 2021Unified chemical theory of structure and bonding in elemental metalsMar 10, 2015Constructing optimal local pseudopotentials from first principlesOct 15, 2021Abnormal behavior of Cs polyoxides under high pressureOct 7, 2021Chemical templates that assemble the metal superhydridesJun 25, 2012Diamondoid Structure of Polymeric Nitrogen at High PressuresFeb 14, 2026Metal hydrides achieve high-Tc superconductivity at low pressure by mimicking high-pressure H3S chemical bondingJul 18, 2019High-pressure hybrid materials that can store hydrogen in table saltApr 4, 2014Half metallic and insulating phases in BN/Graphene lateral heterostructuresJul 27, 2015ATLAS: A Real-Space Finite-Difference Implementation of Orbital-Free Density Functional TheoryAug 19, 2019Reverse chemistry of iron in the deep EarthSep 12, 2013First-principles study of band alignments in the p-type hosts BaM2X2 (M = Cu, Ag; X = S, Se)Sep 1, 2013Xe anions in stable Mg-Xe compounds: the mechanism of missing Xe in earth atmosphereMay 13, 2012Polarization-driven topological insulator transition in a GaN/InN/GaN quantum wellMar 21, 2023Intercalating Helium into A-site Vacant PerovskitesAug 29, 2013Interface-induced Topological Insulator Transition in GaAs/Ge/GaAs Quantum WellsMar 10, 2023Batch Discovery of New Metal Superhydrides via Chemical Template Theory and Machine LearningDec 27, 2012Cs in high oxidation states and as a p-block elementJun 13, 2012High pressures make Hg a transition metal in a thermodynamically stable solidFeb 28, 2015Electron counting and a large family of two-dimensional semiconductors