Effect of the long-range order in the vacancy distribution on the electronic structure of titanium monoxide TiO1.0 / Kostenko M. G.,Lukoyanov A. V.,Zhukov V. P.,Rempel A. A. // JETP LETTERS. - 2012. - V. 96, l. 8. - P. 507-510.

ISSN/EISSN:

0021-3640 / 1090-6487

Type:

Article

Abstract:

The effect of the long-range order in the vacancy distribution according to the type of monoclinic Ti5O5 superstructure on the electronic structure of titanium monoxide TiO (y) with the stoichiometric composition has been studied by the supercell method within the DFT-GGA approximation with the use of pseudopotentials. It has been established that, in spite of an increase in the Fermi energy, the stability of the compound increases with increasing degree of the long-range order eta. The ordering of the structural vacancies leads to the considerable increase in the depth of the pseudogap at the Fermi level. It has been shown that the effect of the long-range order on the electronic structure in the range of eta from 0 to 1.0 is much weaker than the effect of the nonstoichiometry of TiO (y) in the range of y from 0.75 to 1.33.

Author keywords:

OXYGEN; FILMS; TIOY

DOI:

10.1134/S0021364012200106

Web of Science ID:

ISI:000312879400005

Соавторы в МНС:

Другие поля

Поле	Значение
Month	DEC
Publisher	MAIK NAUKA/INTERPERIODICA/SPRINGER
Address	233 SPRING ST, NEW YORK, NY 10013-1578 USA
Language	English
EISSN	1090-6487
Keywords-Plus	OXYGEN; FILMS; TIOY
Research-Areas	Physics
Web-of-Science-Categories	Physics, Multidisciplinary
Author-Email	rempel@ihim.uran.ru
ResearcherID-Numbers	Lukoyanov, Alexey/J-8069-2013 Rempel, Andrey/O-4276-2017 Kostenko, Maxim/M-2683-2016 Zhukov, Valery/K-3615-2013
ORCID-Numbers	Lukoyanov, Alexey/0000-0003-4459-0893 Rempel, Andrey/0000-0002-0543-9982 Kostenko, Maxim/0000-0002-5069-3998
Funding-Acknowledgement	Russian Foundation for Basic Research {[}13-03-00164, 10-02-00546a]; Ural Branch, Russian Academy of Sciences {[}12-M-23-2001]; Council of the President of the Russian Federation {[}MK-3376.2011.2]; Ministry of Education and Science of the Russian Federation (program ``Development of the Scientific Potential of the Higher School{''})
Funding-Text	This work was supported by the Russian Foundation for Basic Research (13-03-00164 and 10-02-00546a); the Ural Branch, Russian Academy of Sciences (project no. 12-M-23-2001); the Council of the President of the Russian Federation for Support of Young Scientists and Leading Scientific Schools (project no. MK-3376.2011.2); and the Ministry of Education and Science of the Russian Federation (program ``Development of the Scientific Potential of the Higher School{''}).
Number-of-Cited-References	18
Usage-Count-Last-180-days	1
Usage-Count-Since-2013	18
Journal-ISO	Jetp Lett.
Doc-Delivery-Number	061VX