Core-level spectroscopic study of FeO and Fe S 2

The electronic structures of iron oxide and iron disulfide (FeO and $\mathrm{Fe}{\mathrm{S}}_{2}$) have been examined using x-ray emission spectroscopy and other core-level spectroscopies. We compare the excitation spectra for charge neutral excitation (x-ray emission) and ionization (photoelectron spectroscopy) at the $2p$ edge and with final-state $3s$ holes. At the Fe ${L}_{2}$-edge, the branching ratio of $L\ensuremath{\beta}$ to $L\ensuremath{\alpha}$ emission is much higher for high spin FeO than for low spin $\mathrm{Fe}{\mathrm{S}}_{2}$, similar to previous observations of Heusler alloys. We suggest that there is a general trend toward high branching ratios for magnetic $3d$ materials and low branching ratios for nonmagnetic materials. Resonant inelastic x-ray spectra of FeO with $3s$ final-state holes show a smaller exchange splitting than the corresponding x-ray photoemission spectroscopy spectra with $3s$ hole states.

[1]  V. I. Grebennikov,et al.  Origin of magnetic circular dichroism in soft x-ray fluorescence of Heusler alloys at threshold excitation - art. no. 235117 , 2001 .

[2]  J. Stöhr,et al.  First experimental results from IBM/TENN/TULANE/LLNL/LBL undulator beamline at the advanced light source , 1995 .

[3]  P. Blaha,et al.  Electronic structure of 3d-transition-metal oxides: on-site Coulomb repulsion versus covalency , 1999 .

[4]  F. Parmigiani,et al.  Fine structures in the X-ray photoemission spectra of MnO, FeO, CoO, and NiO single crystals , 1999 .

[5]  J. Mitchell,et al.  Mn 3s exchange splitting in mixed-valence manganites. , 2002 .

[6]  R. Venkatesh,et al.  Elastic and other associated properties of C 60 , 1997 .

[7]  R. Pattrick,et al.  3d transition metal L-edge X-ray absorption studies of the dichalcogenides of Fe, Co and Ni , 1996 .

[8]  H. Nesbitt,et al.  Incipient oxidation of fractured pyrite surfaces in air , 1998 .

[9]  R. Pattrick,et al.  X-ray absorption near-edge spectra of transition metal disulfides FeS2 (pyrite and marcasite), CoS2, NiS2 and CuS2, and their isomorphs FeAsS and CoAsS , 1995 .

[10]  Mau H. Chen,et al.  Width of atomic L2 and L3 vacancy states near Z=30. , 1973 .

[11]  Zeng,et al.  Density-functional calculation of the electronic structure and equilibrium geometry of iron pyrite (FeS2). , 1994, Physical review. B, Condensed matter.

[12]  C. Kao,et al.  Charge transfer multiplet calculations of the K beta X-ray emission spectra of divalent nickel compounds , 1994 .

[13]  K. Prince,et al.  Resonant Raman x-ray scattering at the S 2p edge of iron pyrite , 2004 .

[14]  C. Colliex,et al.  Electron-energy-loss-spectroscopy near-edge fine structures in the iron-oxygen system. , 1991, Physical review. B, Condensed matter.

[15]  A. Fujimori,et al.  Experimental and theoretical investigation of the electronic structure of transition metal sulphides: CuS, and , 1998 .

[16]  G. Sawatzky,et al.  Oxygen 1s x-ray-absorption edges of transition-metal oxides. , 1989, Physical review. B, Condensed matter.

[17]  Thole,et al.  Branching ratio in x-ray absorption spectroscopy. , 1988, Physical review. B, Condensed matter.

[18]  Saitoh,et al.  Electronic structure of 3d-transition-metal compounds by analysis of the 2p core-level photoemission spectra. , 1992, Physical review. B, Condensed matter.

[19]  H. Nesbitt,et al.  Sulfur and iron surface states on fractured pyrite surfaces , 1998 .

[20]  D. K. Schwartz,et al.  Dynamic scaling of the submonolayer island size distribution during self-assembled monolayer growth , 1999 .

[21]  D. Adler,et al.  Electrical and optical properties of FeO , 1975 .

[22]  Q. Fang Theoretical treatment of the nonlinear anelastic internal friction peaks appearing in the cold-worked Al-based solid solutions , 1997 .

[23]  P. Bagus,et al.  Width of the d -Level Final-State Structure Observed in the Photoemission Spectra of Fe x O , 1977 .

[24]  T. Matsushita,et al.  2p resonance photoemission and Auger features in NiS2 and FeS2 , 1999 .

[25]  K. Laajalehto,et al.  XPS study of the sulphur 2p spectra of pyrite , 2003 .

[26]  M. Magnuson,et al.  ENERGY DEPENDENCE OF CU L2,3 SATELLITES USING SYNCHROTRON EXCITED X-RAY-EMISSION SPECTROSCOPY , 1997, 1201.0933.

[27]  F. Jollet,et al.  CHARACTERIZATION OF IRON OXIDES BY X-RAY ABSORPTION AT THE OXYGEN K EDGE USING A FULL MULTIPLE-SCATTERING APPROACH , 1997 .

[28]  Pollak,et al.  X-ray-absorption spectroscopy at the Fe L2,3 threshold in iron oxides. , 1995, Physical review. B, Condensed matter.

[29]  P. Wachter,et al.  Optical properties, phonons and electronic structure of iron pyrite (FeS2) , 1976 .

[30]  E. L. Amma,et al.  Investigation of the bonding mechanism in pyrite using the Mössbauer effect and X-ray crystallography , 1976 .

[31]  Christian Stamm,et al.  Chemical effects at metal/oxide interfaces studied by x-ray-absorption spectroscopy , 2001 .

[32]  J. Goodenough Energy bands in TX2 compounds with pyrite, marcasite, and arsenopyrite structures , 1972 .

[33]  I. Balberg,et al.  The optical absorption of iron oxides , 1978 .

[34]  J. Hugel,et al.  Electronic ground state of MnO, FeO, CoO and NiO within the LSDA + U approximation , 1996 .

[35]  K. Koepernik,et al.  Full-potential band-structure calculation of iron pyrite , 1999 .

[36]  E. Stevens,et al.  Experimental observation of the effect of crystal field splitting on the electron density distribution of iron pyrite , 1980 .

[37]  H. Tributsch,et al.  Electronic structure of FeS 2 : The crucial role of electron-lattice interaction , 1998 .