Supplemental material for the article "Lanthanide 4d photoemission as a probe of valency, magnetism, and crystal electric field effects"
收藏资源简介:
The files contain the data for modeling 4d photoemission spectra of lanthanides. Each file uses an HDF5 format and contains three datasets: Wdn, Wup and Rkl. Rkl is a 2-dimensional dataset, which contains photoemission radial matrix elements. It contains 5 columns:(1) Kinetic energy in eV.(2) Radial matrix element for l-1 in atomic units.(3) Phase delta for l-1.(4) Radial matrix element for l+1 in atomic units.(5) Phase delta for l+1. Wdn is a 4-dimensional W matrix for m_s = -1/2 (see the main text of the article for details).Wup is a 4-dimensional W matrix for m_s = +1/2.The first dimension is the relative energy with a step of 0.05 eV.The second and third dimensions are m_2 and m_2' ranging from -2 to 2.The fourth dimension is M_J ranging from -J to J.The starting value of the relative energy for each element and electronic configuration is given below in eV.La_f0: -40.0Ce_f1: -38.5Pr_f2: -47.4Nd_f3: -50.8Pm_f4: -48.0Sm_f5: -50.0Eu_f6: -50.0Eu_f7: -52.4Gd_f7: -51.1Tb_f8: -47.5Dy_f9: -49.0Ho_f10: -49.0Er_f11: -48.3Tm_f12: -58.2Yb_f13: -50.0Yb_f14: -71.0Lu_f14: -72.0



