Variable-energy photoelectron spectroscopy of CpM(CO)3 (M = Mn, Re) and CpFe(CO)2I

1996 ◽  
Vol 74 (11) ◽  
pp. 2240-2249 ◽  
Author(s):  
Yong-Feng Hu ◽  
G. Michael Bancroft ◽  
Kim H. Tan ◽  
John S. Tse ◽  
Dong-Sheng Yang
Keyword(s):  
Synchrotron Radiation ◽  
Transition Metal Complexes ◽  
Photoelectron Spectroscopy ◽  
General Trend ◽  
Resonance Effect ◽  
Photoelectron Spectra ◽  
Ligand Field ◽  
Band Spectra ◽  
Variable Energy ◽  
Good Agreement

Photoelectron spectra of the valence, inner-valence, and core levels of CpM(CO)3 (M = Mn, Re) and CpFe(CO)2I were obtained using He I radiation and synchrotron radiation between 21 eV and 150 eV photon energies. The high-resolution Mn 3p, Fe 3p, and I 4d core level spectra are reported. Broadening of the I 4d spectrum is due to vibrational and ligand field splittings. Observation of the 3p spectra is critical to fully interpreting the np → nd resonance effect in the valence band spectra. This resonance effect is very useful for assigning the metal d orbital bands in the valence spectra. A Xα-SW calculation of CpMn(CO)3 was used to confirm the assignment of the valence and inner-valence orbitals. The experimental and theoretical branching ratios are in good agreement. The general trend of the metal d orbital ionization potentials for CpML3 (M = transition metal) complexes is also discussed. Key words: photoelectron, synchrotron radiation, CpMn(CO)3, CpRe(CO)3, CpFe(CO)2I, np → nd resonance, Xα-SW calculation.

The study of the electronic structure of some N-heterocyclic carbenes (NHCs) by variable energy photoelectron spectroscopy

2015 ◽  
Vol 17 (16) ◽  
pp. 10656-10667 ◽  
Author(s):  
Branka Kovač ◽  
Ivan Ljubić ◽  
Antti Kivimäki ◽  
Marcello Coreno ◽  
Igor Novak
Keyword(s):  
Electronic Structure ◽  
Synchrotron Radiation ◽  
Computational Methods ◽  
Photoelectron Spectroscopy ◽  
Electronic Structures ◽  
Heterocyclic Carbenes ◽  
Photoelectron Spectra ◽  
X Ray ◽  
Variable Energy

UV and X-ray photoelectron spectra of three N-heterocyclic carbenes under synchrotron radiation reveal details of their electronic structure and are used as a benchmark to test computational methods for treating core ionizations in systems with unusual electronic structures.

Unraveling Internal Structures of Highly Luminescent PbSe Nanocrystallites Using Variable-Energy Synchrotron Radiation Photoelectron Spectroscopy

2006 ◽  
Vol 110 (31) ◽  
pp. 15244-15250 ◽  
Author(s):  
Sameer Sapra ◽  
J. Nanda ◽  
Jeffrey M. Pietryga ◽  
Jennifer A. Hollingsworth ◽  
D. D. Sarma
Keyword(s):  
Synchrotron Radiation ◽  
Photoelectron Spectroscopy ◽  
Internal Structures ◽  
Variable Energy

Characterisation of the electronic structure of some stable nitroxyl radicals using variable energy photoelectron spectroscopy

2014 ◽  
Vol 16 (22) ◽  
pp. 10734-10742 ◽  
Author(s):  
Branka Kovač ◽  
Ivan Ljubić ◽  
Antti Kivimäki ◽  
Marcello Coreno ◽  
Igor Novak
Keyword(s):  
Electronic Structure ◽  
Synchrotron Radiation ◽  
Photoelectron Spectroscopy ◽  
Nitroxyl Radicals ◽  
Intramolecular Interactions ◽  
Stable Nitroxyl Radicals ◽  
Amide Derivatives ◽  
Variable Energy

Core and valence ionizations of three stable nitroxyl radicals studied using synchrotron radiation reveal strong intramolecular interactions in amide derivatives.

A Discussion on photoelectron spectroscopy - Franck-Condon factors and autoionization in the photoelectron spectra of diatomic molecules

1970 ◽  
Vol 268 (1184) ◽  
pp. 159-162 ◽  
Keyword(s):  
Photoelectron Spectroscopy ◽  
Photoionization Cross Section ◽  
Resonance Wavelength ◽  
Exciting Radiation ◽  
Vibrational Structure ◽  
Photoelectron Spectra ◽  
Condon Factors ◽  
Franck Condon ◽  
Characteristic Manner ◽  
Good Agreement

Distributions of calculated Franck-Condon factors for autoionizing transitions are used to illustrate the way in which the vibrational structure of the photoelectron spectrum may be extended in a characteristic manner when the wavelength of the exciting radiation coincides with a resonance in the photoionization cross section of a diatomic gas. The calculations are found to be in good agreement with resonance wavelength photoelectron spectra from O2.

Reassignment of the valence photoelectron spectra of nickel diallyl complex Ni(.eta.3-C3H5)2 using variable energy photoelectron spectroscopy

1992 ◽  
Vol 31 (25) ◽  
pp. 5162-5163 ◽  
Author(s):  
Xiaorong Li ◽  
G. M. Bancroft ◽  
R. J. Puddephatt ◽  
Y. F. Hu ◽  
Z. Liu ◽  
...  
Keyword(s):  
Photoelectron Spectroscopy ◽  
Photoelectron Spectra ◽  
Variable Energy

Surface Study of Ni2MnGa(100)

2011 ◽  
Vol 684 ◽  
pp. 215-230 ◽  
Author(s):  
S.W. D'Souza ◽  
R.S. Dhaka ◽  
Abhishek Rai ◽  
M. Maniraj ◽  
J. Nayak ◽  
...  
Keyword(s):  
Valence Band ◽  
Photoelectron Spectroscopy ◽  
Density Functional ◽  
Room Temperature ◽  
Compositional Variation ◽  
Ferromagnetic Shape Memory Alloy ◽  
Functional Theory ◽  
Band Spectra ◽  
Ferromagnetic Shape Memory ◽  
Good Agreement

The (100) surface of Ni2MnGa ferromagnetic shape memory alloy exhibits intrinsic surface property dissimilar to the bulk as well as influence of compositional variation at the surface. It is shown that by sputtering at room temperature and annealing at high temperature, it is possible to obtain a clean, ordered and stoichiometric surface. However, for even higher annealing temperatures, the surface becomes Mn rich. The (100) surface of Ni2MnGa is found to have Mn–Ga termination. A surface reconstruction to p4gm symmetry is observed in the austenite phase, while the expected bulk truncated symmetry at surface is p4mm. For the stoichiometric surface, the XPS valence band is compared with our calculations based on first principles density functional theory and good agreement is obtained. The ultraviolet photoelectron spectroscopy (UPS) valence band spectra depend sensitively on composition varying from Ni rich to Mn rich surfaces. A satellite feature observed in both Ni 2p core-level and valence band spectra is related to the narrow 3d valence band in Ni2MnGa.

scholarly journals Механизм открытия щели в точке Дирака в электронном спектре Gd-допированного топологического изолятора

2020 ◽  
Vol 62 (2) ◽  
pp. 286
Author(s):  
А.М. Шикин ◽  
Д.А. Естюнин ◽  
А.В. Королева ◽  
Д.А. Глазкова ◽  
Т.П. Макарова ◽  
...  
Keyword(s):  
Synchrotron Radiation ◽  
Long Range ◽  
Photoelectron Spectroscopy ◽  
Dirac Point ◽  
Energy Gap ◽  
Magnetic Transition ◽  
Magnetic Ordering ◽  
Photoelectron Spectra ◽  
Dirac Cone ◽  
Antiferromagnetic Ordering

The electronic structure of magnetically-doped TI with stoichiometry Bi1.09Gd0.06Sb0.85Te3 in the region of the Dirac point has been studied in detail by angle-resolved photoelectron spectroscopy (ARPES) at various temperatures (above and below the Néel temperature, 1-35 K) and different polarizations of synchrotron radiation. It has shown that the energy gap in photoemission spectra opens at the Dirac point and remains open above the temperature of the long-range magnetic ordering, Tn. Measurements of magnetic properties by the superconducting magnetometry method (SQUID) have shown antiferromagnetic ordering with a transition temperature to the paramagnetic phase equal to 8.3 K. Study of the temperature dependence of the Dirac cone state intensity at the Г point by ARPES has confirmed the magnetic transition and has shown a possibility of its indication directly from photoemission spectra. A more detailed analysis of the splitting between the upper and lower Dirac cone states (i.e. the energy gap) at the Dirac point in the photoelectron spectra has shown the dependence of the measured gap on the synchrotron radiation polarization (about 28-30 meV for p-polarization and 22-25 meV for circularly polarized radiation of opposite chirality). The mechanism of opening the gap at a Dirac point above the Tn was proposed due to the “pairing” of the Dirac fermions with opposite momentum and spin orientation as a result of their interaction with the spin texture generated by photoemission in the region of the photoemission hole on a magnetic impurity atom (Gd). It was shown that the gap at the Dirac point, measured above Tn, is dynamic and is formed directly during photoemission process. At the same time, the origin of the gap remains magnetic (even when the long-range magnetic ordering is destroyed) and is associated with the properties of the magnetic topological insulator that determines a practically unchanged size of the gap above Tn. The dynamic origin of the generated gap is confirmed by the dependence of its magnitude on the polarization of synchrotron radiation.

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