Electronic structure of NixTiSe2 (0.05 <= x <= 0.46) compounds with ordered and disordered Ni / Shkvarin A. S.,Yarmoshenko Yu. M.,Merentsov A. I.,Zhukov Yu. M.,Titov A. A.,Shkvarina E. G.,Titov A. N. // PHYSICAL CHEMISTRY CHEMICAL PHYSICS. - 2017. - V. 19, l. 6. - P. 4500-4506.

ISSN/EISSN:

1463-9076 / 1463-9084

Type:

Article

Abstract:

The electronic structure of the NixTiSe2 intercalation compounds with disordered and ordered Ni atoms is studied using photoelectron, resonant photoelectron and X-ray absorption spectroscopy, theoretical calculations of the X-ray spectra and density of electronic states. The increase in the covalent component of the chemical bond of Ni and Ti with the nearest neighbour was found with increasing nickel concentration and its ordering. A significant charge transfer from the Ni atoms to the host lattice resulting in the transformation of Ti4+ into Ti3+ occurs, while the symmetry of the crystal lattice is lowered from the hexagonal to the monoclinic one.

Author keywords:

TRANSITION-METAL DICHALCOGENIDES; RESONANT PHOTOEMISSION; TITANIUM DISELENIDE; PHASE-TRANSITION; RAY-ABSORPTION; INTERCALATION; LIXTIS2; NICKEL; IONS; CR

DOI:

10.1039/c6cp08130d

Web of Science ID:

ISI:000395526600037

Соавторы в МНС:

Другие поля

Поле	Значение
Month	FEB 14
Publisher	ROYAL SOC CHEMISTRY
Address	THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND
Language	English
EISSN	1463-9084
Keywords-Plus	TRANSITION-METAL DICHALCOGENIDES; RESONANT PHOTOEMISSION; TITANIUM DISELENIDE; PHASE-TRANSITION; RAY-ABSORPTION; INTERCALATION; LIXTIS2; NICKEL; IONS; CR
Research-Areas	Chemistry; Physics
Web-of-Science-Categories	Chemistry, Physical; Physics, Atomic, Molecular \& Chemical
Author-Email	shkvarin@imp.uran.ru
ResearcherID-Numbers	Shkvarin, Alexey/J-4275-2013 Titov, Alexander/K-4328-2013
ORCID-Numbers	Shkvarin, Alexey/0000-0002-3774-5669 Titov, Alexander/0000-0003-3636-2604 Zhukov, Yuri/0000-0001-7457-4347
Funding-Acknowledgement	RFBR {[}14-03-00274]; ELETTRA synchrotron in the framework of CiPo beamlines
Funding-Text	The authors are grateful to the Resource Centre ``Physical Methods of Surface Investigation'' (RC PMSI) of the Saint Petersburg State University Research Park for XPS measurements. The authors are grateful to the ELETTRA synchrotron for support in the framework of CiPo beamlines. The research was carried out within the state assignment of FASO of Russia (theme ``Electron'' No. 01201463326 and theme ``Spin'' No. 01201463330), supported in part by the RFBR Grant No. 14-03-00274.
Number-of-Cited-References	31
Usage-Count-Last-180-days	5
Usage-Count-Since-2013	5
Journal-ISO	Phys. Chem. Chem. Phys.
Doc-Delivery-Number	EM7XW