Search Results
Accurate simulations of Green’s functions and nonlinear susceptibilities for electron and spin systems are achieved with highly compressed circuits.
Enforcing Hund’s rules in density functional theory (DFT) calculations is necessary for reliable modeling of rare-earth magnetic anisotropy (MA). Scientists at Ames National Laboratory and George Mason University collaborated to identify and address the most fundamental challenge in accurately modeling rare-earth MA within DFT.
The phonon dynamics of methylammonium lead iodide are explored with time-resolved terahertz spectroscopy and first-principles molecular dynamics simulations, revealing a bidirectional entropy transfer mechanism that may inform the design of perovskite active layers in solar cells and optoelectronic devices.
SrCo2P2 undergoes a pressure-induced collapsed-tetragonal (cT) phase transition transition-driven by interlayer pnictogen bonding resulting in a remarkable near room temperature ferromagnetic ordering (TC up to 260 K) in the cT phase.
Numerical simulations demonstrate a cavity-free metasurface laser capable of controllable, purely circularly polarized output via direct lasing from chiral resonant modes of plasmonic meta-atoms strongly coupled to quantum gain.
The topography of Fermi arcs in trigonal PtBi2 (ti-PtBi2) was revealed. Unlike in other topological materials, the arc in t-PtBi2 is well separated from other bands, which allows precise determination of its end-points, dispersion, and Fermi crossing of the band that forms it.
Terahertz Raman scattering experiments reveal a Fano resonance in ZrTe₅, characterized by Raman mode selectivity and temperature-dependent enhancement.
A direct relation between the atomic-scale structure of the epitaxial graphene - SiC(0001) interface, which includes silicon (Si) vacancies, and local electronic properties has been established.
The magnetic ground state of the Double-trillium Lattice Spin Liquid Candidate KSrFe2(PO4)3 was investigated by nuclear magnetic resonance technique.
This work identifies a new model system to study electron-phonon coupling driven phase transitions. The synthetic procedure introduces a novel flux for discovery and crystal growth of subvalent quantum materials.