Kβ X-Ray Emission Band and K X-Ray Absorption-Edge Structure of Sulfur in Layered Transition-Metal Compounds TiS2, ZrS2and HfS2

Sugiura, Chikara; Shoji, Shizuko; Kojima, Shinjiro

doi:10.1143/jjap.30.1742

Cited by 4 publications

(2 citation statements)

References 43 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…de Groot et al [31] have analyzed in detail the recorded spectral features of some 3d TM oxides in terms of ligandfield theory. The energy separation between C and C 0 peaks (t 2g -e g splitting) is about 2.0 eV which is approximately equal to that obtained by Fischer [28] (2.1 eV), Ohno et al [29] (2.0 eV), and Sugiura et al [32] (2.0 eV).…”

supporting

confidence: 64%

SulfurK-Edge X-Ray-Absorption Study of the Charge Transfer upon Lithium Intercalation into Titanium Disulfide

et al. 1996

View full text Add to dashboard Cite

Sulfur K-edge x-ray-absorption spectra have been recorded for lithium intercalated titanium disulfides Li x TiS 2 . The near-edge features up to 30 eV above threshold are interpreted in the framework of full multiple-scattering theory. We show that the electrons transferred from intercalated lithium atoms are not only located on Ti 3d orbitals, as previously assumed, but also on the S 3p states. For comparison, we present the S p-projected density of states derived from linear muffin-tin-orbital band structure calculations. An overall agreement between measurement and theory is very well achieved.[S0031-9007(96)00962-3] PACS numbers: 78.70.Dm, 71.20.Lp, 72.80.Ga Lamellar transition metal dichalcogenides (TMDC) MX 2 (X S, Se; M Ti, Zr, Hf, V, Nb, Ta, Mo, or W) have been among the first phases considered as a host in intercalation reaction in which a guest species, atom, ion, or molecule can be reversibly inserted into empty spaces of the host structure [1][2][3][4]. Until quite recently, it has been thought that the guest species provides an electron to the transition metal (TM) d orbitals [5][6][7][8]. Such a conclusion is mainly based on a rigid band model. More recent investigations [9,10] tend to show that this model is not adequate to study the intercalation process. Moreover electronic band structure calculations [11] in the extended Hückel approach have shown that, in the case of lithium intercalation into titanium disulfide TiS 2 , there exists a partial electronic transfer of lithium 2s electron to the host structure, on both titanium and sulfur atoms. However, such an approach remains qualitative and is not able to explain the edge shape changes, especially in separating structural and electronic effects. To do so, it is necessary to combine accurate electronic band structure calculations and edge simulations. In this Letter, we present new x-ray absorption spectroscopy (XAS) data and theoretical analyses on the Li intercalated compound TiS 2 that demonstrate the important role of sulfur atoms and provide a correct picture in the intercalation process on TMDC.TiS 2 has been prepared as described in Ref. [12]. Lithium intercalation has been performed by the n-butyl lithium technique at room temperature [13] with the lithium content determined by flame spectroscopy. In order to prevent degradation, samples were handled in glove boxes and transferred to the different systems for analysis via appropriate airtight containers. X-ray appearance near-edge structure (XANES) spectra were recorded using the French synchrotron radiation source at LURE (Orsay). The sulfur K edge was recorded on the Super ACO storage ring with a Si111 two-crystal monochromator, with a 0.4 eV resolution.All the computations of the XANES spectra were carried out using the multiple-scattering CONTINUUM code [14] based on the one-electron full multiple-scattering (MS) theory [15][16][17]. The cluster potential was approximated by a set of spherically averaged muffin-tin (MT) potential, which was built by following the standard Mattheis...

show abstract

supporting

confidence: 64%

SulfurK-Edge X-Ray-Absorption Study of the Charge Transfer upon Lithium Intercalation into Titanium Disulfide

et al. 1996

View full text Add to dashboard Cite

show abstract

“…The deformation of the large magnitude should increase the splitting of the lower unfilled Ti 3d z 2 -orbital from the rest of Ti 3d states, i.e. increase the binding energy of Ti d z 2 orbital [3,[29][30][31][32] and, consequently, result in the partial filling of the electronic states in the vicinity of the Fermi level.…”

Section: Xasmentioning

confidence: 99%

Resonant photoemission at the L₃absorption edge of Mn and Ti and the electronic structure of 1T-Mn_0.2TiSe₂

Yablonskikh

Shkvarin

Yarmoshenko

et al. 2012

J. Phys.: Condens. Matter

View full text Add to dashboard Cite

Resonant valence band x-ray photoelectron spectra (ResPES) excited near the 2p(3/2) core level energies, 2p x-ray photoelectron spectra (XPS) and L(3,2) x-ray absorption spectra (XAS) of Ti and Mn in single crystals of 1T-Mn(0.2)TiSe(2) were studied for the first time. The ionic-covalent character of the bonds formed by the Mn atoms with the neighboring Se atoms in the octahedral coordination is established. From the XPS and XAS measurements compared with the results of atomic multiplet calculations of Ti and Mn L(3,2) XAS, it is found that the Ti atoms are in the ionic state of 4 + and the Mn atoms are in the state of 2 +. In ResPES of Mn(0.2)TiSe(2) excited near the Ti 2p(3/2) and Mn 2p(3/2) absorption edges the Ti 3d and Mn 3d bands at binding energies just below the Fermi level are observed. According to theoretical calculations of E(k) the Ti 3d states are localized in the vicinity of the Γ point and the Mn 3d states are localized along the direction K-Γ-M in the Brillouin zone of the crystal.

show abstract

Use of X-Ray Absorption Spectra as a “Fingerprint” of the Local Environment in Complex Chalcogenides

Branci

Womes

Lippens

et al. 2000

Journal of Solid State Chemistry

View full text Add to dashboard Cite

Kβ X-Ray Emission Band and K X-Ray Absorption-Edge Structure of Sulfur in Layered Transition-Metal Compounds TiS₂, ZrS₂and HfS₂

Abstract: The light-front Hamiltonian, path integral and BRST formulations of the Chern-Simons-Higgs theory in (2 + 1) dimensions are investigated under appropriate gauge fixing.

Cited by 4 publications

References 43 publications

SulfurK-Edge X-Ray-Absorption Study of the Charge Transfer upon Lithium Intercalation into Titanium Disulfide

SulfurK-Edge X-Ray-Absorption Study of the Charge Transfer upon Lithium Intercalation into Titanium Disulfide

Resonant photoemission at the L₃absorption edge of Mn and Ti and the electronic structure of 1T-Mn_0.2TiSe₂

Use of X-Ray Absorption Spectra as a “Fingerprint” of the Local Environment in Complex Chalcogenides

Contact Info

Product

Resources

About

Kβ X-Ray Emission Band and K X-Ray Absorption-Edge Structure of Sulfur in Layered Transition-Metal Compounds TiS2, ZrS2and HfS2

Abstract: The light-front Hamiltonian, path integral and BRST formulations of the Chern-Simons-Higgs theory in (2 + 1) dimensions are investigated under appropriate gauge fixing.

Cited by 4 publications

References 43 publications

SulfurK-Edge X-Ray-Absorption Study of the Charge Transfer upon Lithium Intercalation into Titanium Disulfide

SulfurK-Edge X-Ray-Absorption Study of the Charge Transfer upon Lithium Intercalation into Titanium Disulfide

Resonant photoemission at the L3absorption edge of Mn and Ti and the electronic structure of 1T-Mn0.2TiSe2

Use of X-Ray Absorption Spectra as a “Fingerprint” of the Local Environment in Complex Chalcogenides

Contact Info

Product

Resources

About

Kβ X-Ray Emission Band and K X-Ray Absorption-Edge Structure of Sulfur in Layered Transition-Metal Compounds TiS₂, ZrS₂and HfS₂

Resonant photoemission at the L₃absorption edge of Mn and Ti and the electronic structure of 1T-Mn_0.2TiSe₂