| 1. |
|
|
| 2. |
|
|
| 3. |
- Butorin, Sergei, et al.
(författare)
-
Effect of Ag Doping on Electronic Structure of Cluster Compounds AgxMo9Se11 (x = 3.4, 3.9)
- 2018
-
Ingår i: ACS Applied Energy Materials. - : American Chemical Society (ACS). - 2574-0962. ; 1:8, s. 4032-4039
-
Tidskriftsartikel (refereegranskat)abstract
- The electronic structure of AgxMo9Se11 as a potential material for thermoelectric applications was studied using high-energy-resolution fluorescence-detection X-ray absorption spectroscopy (HERFD-XAS) and the resonant inelastic X-ray scattering (RIXS) technique. The experiments were supported by first-principle calculations using density functional theory (DFT). The analysis of obtained spectra indicate the presence of subvalent (less than 1+) Ag in AgxMo9Se11. The advanced HERFD-XAS measurements allowed us to resolve the contribution of the electronic states at the Fermi level of AgxMo9Se11 and to monitor its dependence on the x value. A comparison of the experimental data with the results of the DFT calculations suggests the importance of the Ag2-type sites with the shortest Ag–Se distance for affecting the properties of AgxMo9Se11.
|
|
| 4. |
- Kapaklis, Vassilios, et al.
(författare)
-
Temperature dependence of the electrical resistivity and electronic structure of amorphous Fe100-xZrx films and multilayers
- 2012
-
Ingår i: Journal of Physics. - : IOP Publishing. - 0953-8984 .- 1361-648X. ; 24:49, s. 495402-
-
Tidskriftsartikel (refereegranskat)abstract
- The electrical resistivity of amorphous Fe100-xZrx metal alloy films and multilayers has been investigated in a wide temperature and composition range. The overall behavior of the resistivity is consistent with bulk measurements, exhibiting prominent semiconductor-like changes at low temperatures. The transition from positive (metallic) to negative temperature coefficient of resistivity behavior is accompanied by minute changes in magnetoresistance and we can therefore rule out magnetic phase changes as being the cause for the observed changes in the resistivity. Using x-ray absorption and emission spectroscopies we are able to probe the unoccupied and occupied electronic densities of states. The corresponding spectra are found to significantly overlap, as expected for a metallic-like electronic structure and the absence of a band gap. Besides a broadening of the x-ray emission lines expected from an amorphous material, remarkably small differences are observed in the electronic structures when changing the amount of Zr. The resistivity data were modeled and agreement with the Mott variable range hopping model was found, indicating localized electronic states due the disordered structure of the Fe100-xZrx alloys.
|
|
| 5. |
- Marchenko, T., et al.
(författare)
-
Potential Energy Surface Reconstruction and Lifetime Determination of Molecular Double-Core-Hole States in the Hard X-Ray Regime
- 2017
-
Ingår i: Physical Review Letters. - : AMER PHYSICAL SOC. - 0031-9007 .- 1079-7114. ; 119:13
-
Tidskriftsartikel (refereegranskat)abstract
- A combination of resonant inelastic x-ray scattering and resonant Auger spectroscopy provides complementary information on the dynamic response of resonantly excited molecules. This is exemplified for CH3I, for which we reconstruct the potential energy surface of the dissociative I 3d(-2) double-core-hole state and determine its lifetime. The proposed method holds a strong potential for monitoring the hard x-ray induced electron and nuclear dynamic response of core-excited molecules containing heavy elements, where ab initio calculations of potential energy surfaces and lifetimes remain challenging.
|
|
| 6. |
- Zitnik, M, et al.
(författare)
-
High resolution multiphoton spectroscopy by a tunable free-electron-laser light.
- 2014
-
Ingår i: Physical Review Letters. - 1079-7114 .- 0031-9007. ; 113:19
-
Tidskriftsartikel (refereegranskat)abstract
- Seeded free electron lasers theoretically have the intensity, tunability, and resolution required for multiphoton spectroscopy of atomic and molecular species. Using the seeded free electron laser FERMI and a novel detection scheme, we have revealed the two-photon excitation spectra of dipole-forbidden doubly excited states in helium. The spectral profiles of the lowest (-1,0)^{+1} ^{1}S^{e} and (0,1)^{0} ^{1}D^{e} resonances display energy shifts in the meV range that depend on the pulse intensity. The results are explained by an effective two-level model based on calculated Rabi frequencies and decay rates.
|
|
| 7. |
- Marchenko, T., et al.
(författare)
-
Electron Dynamics in the Core-Excited CS2 Molecule Revealed through Resonant Inelastic X-Ray Scattering Spectroscopy
- 2015
-
Ingår i: Physical Review X. - 2160-3308. ; 5:3
-
Tidskriftsartikel (refereegranskat)abstract
- We present an experimental and theoretical study of resonant inelastic x-ray scattering (RIXS) in the carbon disulphide CS 2 molecule near the sulfur K-absorption edge. We observe a strong evolution of the RIXS spectral profile with the excitation energy tuned below the lowest unoccupied molecular orbital (LUMO) absorption resonance. The reason for this is twofold. Reducing the photon energy in the vicinity of the LUMO absorption resonance leads to a relative suppression of the LUMO contribution with respect to the emission signal from the higher unoccupied molecular orbitals, which results in the modulation of the total RIXS profile. At even larger negative photon-energy detuning from the resonance, the excitation-energy dependence of the RIXS profile is dominated by the onset of electron dynamics triggered by a coherent excitation of multiple electronic states. Furthermore, our study demonstrates that in the hard x-ray regime, localization of the S 1s core hole occurs in CS2 during the RIXS process because of the orientational dephasing of interference between the waves scattering on the two sulfur atoms. Core-hole localization leads to violation of the symmetry selection rules for the electron transitions observed in the spectra.
|
|
| 8. |
- Marehenko, T., et al.
(författare)
-
Electron dynamics in the core-excited CS2 molecule revealed through resonant inelastic x-ray scattering spectroscopy
- 2015
-
Ingår i: XXIX INTERNATIONAL CONFERENCE ON PHOTONIC, ELECTRONIC, AND ATOMIC COLLISIONS (ICPEAC2015), PTS 1-12. - : Institute of Physics Publishing (IOPP).
-
Konferensbidrag (refereegranskat)abstract
- We present an experimental and theoretical study of resonant inelastic x-ray scattering (RIXS) in the CS2 molecule near the S 1s edge. We show that localization of the S 1s core-hole occurs in CS2 during the RIXS process due to the orientational dephasing of interference between the waves scattering on the two sulfur atoms. Strong evolution of the RIXS profile with the excitation energy far below the first absorption resonance reflects the onset of electron dynamics triggered by a coherent excitation of multiple electronic states.
|
|
| 9. |
- Mori, R. Alonso, et al.
(författare)
-
Sulfur-Metal Orbital Hybridization in Sulfur-Bearing Compounds Studied by X-ray Emission Spectroscopy
- 2010
-
Ingår i: Inorganic Chemistry. - : American Chemical Society (ACS). - 0020-1669 .- 1520-510X. ; 49:14, s. 6468-6473
-
Tidskriftsartikel (refereegranskat)abstract
- The electronic structure and ligand environment of sulfur was investigated in various sulfur-containing compounds with different structures and chemical states by using X-ray emission spectroscopy (XES). Calculations were performed using density functional theory (DFT) as implemented in the StoBe code. The sulfur chemical state and atomic environment is discussed in terms of the molecular orbitals and partial charges that are obtained from the calculations. The main spectral features can be modeled using our calculational approach. The sensitivity of the K beta emission to the cation and the local symmetry is discussed.
|
|
| 10. |
|
|
