The TDOS and pDOS of LMO and LMMO are based on spin-up and spin-down, and the pDOS is based on 3d orbitals of TM atoms and 2p orbitals of O atoms. from publication: Alkaline-earth …

ρ i (ε) is called the projected density of states (PDOS), and ρ (r, ε) the local density of states (LDOS). Notice that an energy integrating of the LDOS multiplied by a Fermi distribution gives …

Download scientific diagram | Left panel: Projected density of states (PDOS) for LMO strained to an STO substrate, as calculated with DFT + U (top) and hybrid functional (bottom).

momentum projected density of states (PDOS) decomposes the density of states energetic distribution into angular momentum components. Both decompositions may be combinded into …

Jun 2, 2015 · Using benzenediamine and benzenedithiol molecular junctions as benchmarks, we investigate the widespread analysis of the quantum transport conductance in terms of the …

Download scientific diagram | a) TDOS of LMO, HEPO, and Ru@HEPO; b) Work functions of HEPO and Ru@HEPO; c) PDOS of Ru@HEPO; d) PDOS of O‐2p and Mn‐3d orbitals in the …

With pedagogical purposes, we have analyzed the relation of the total densities of states (TDOS/PDOS/OPDOS) and molecular orbital diagrams (MOD) for single and isolated …

Mar 28, 2014 · Time-of-flight PDOS measurements include anharmonic linewidth broadening, inherently, and the factor of 7 enhancement of the oxygen spectrum relative to the uranium …

Oct 5, 2023 · Our theoretical results explain the higher stability of doped Li 2 MnO 3 through enhancing the Li migrating ability. The most significant difference between LiMn 2 O 4 and Li 2 …

Jun 6, 2022 · The PDOS of O i in the LMO passes through the Fermi energy (denoted as 0 eV), while the PDOS of O i in Li 0.5 MnO 3 for LMO-T is under Fermi energy and hence has better …