Standard

Atomic and Electronic Structures of Intrinsic Defects in Ta2O5 : Ab Initio Simulation. / Perevalov, T. V.; Islamov, D. R.; Chernykh, I. G.

в: JETP Letters, Том 107, № 12, 01.06.2018, стр. 761-765.

Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование

Harvard

Perevalov, TV, Islamov, DR & Chernykh, IG 2018, 'Atomic and Electronic Structures of Intrinsic Defects in Ta2O5: Ab Initio Simulation', JETP Letters, Том. 107, № 12, стр. 761-765. https://doi.org/10.1134/S0021364018120111

APA

Perevalov, T. V., Islamov, D. R., & Chernykh, I. G. (2018). Atomic and Electronic Structures of Intrinsic Defects in Ta2O5: Ab Initio Simulation. JETP Letters, 107(12), 761-765. https://doi.org/10.1134/S0021364018120111

Vancouver

Perevalov TV, Islamov DR, Chernykh IG. Atomic and Electronic Structures of Intrinsic Defects in Ta2O5: Ab Initio Simulation. JETP Letters. 2018 июнь 1;107(12):761-765. doi: 10.1134/S0021364018120111

Author

Perevalov, T. V. ; Islamov, D. R. ; Chernykh, I. G. / Atomic and Electronic Structures of Intrinsic Defects in Ta2O5 : Ab Initio Simulation. в: JETP Letters. 2018 ; Том 107, № 12. стр. 761-765.

BibTeX

@article{d7acafe95839491e93ba3e43f6609f16,
title = "Atomic and Electronic Structures of Intrinsic Defects in Ta2O5: Ab Initio Simulation",
abstract = "The atomic and electronic structure of intrinsic point defects in orthorhombic tantalum oxide has been studied by numerical simulation within the density functional theory. It has been shown that all defects responsible for metal enrichment of Ta2O5 serve as electron and hole traps. Under conditions of strong oxygen depletion and at a metal–insulator interface, which are characteristic of resistive memory elements, interstitial tantalum atoms compete with an oxygen vacancy in the formation of a conducting filament. Interstitial oxygen atoms are not involved in charge transport. Tantalum substituting oxygen can be considered as a combination of the oxygen vacancy and interstitial tantalum. The analysis of the calculated thermal and optical energies of trap ionization shows that the oxygen vacancy is a key defect for charge transport in Ta2O5.",
author = "Perevalov, {T. V.} and Islamov, {D. R.} and Chernykh, {I. G.}",
note = "Publisher Copyright: {\textcopyright} 2018, Pleiades Publishing, Inc.",
year = "2018",
month = jun,
day = "1",
doi = "10.1134/S0021364018120111",
language = "English",
volume = "107",
pages = "761--765",
journal = "JETP Letters",
issn = "0021-3640",
publisher = "MAIK NAUKA/INTERPERIODICA/SPRINGER",
number = "12",

}

RIS

TY - JOUR

T1 - Atomic and Electronic Structures of Intrinsic Defects in Ta2O5

T2 - Ab Initio Simulation

AU - Perevalov, T. V.

AU - Islamov, D. R.

AU - Chernykh, I. G.

N1 - Publisher Copyright: © 2018, Pleiades Publishing, Inc.

PY - 2018/6/1

Y1 - 2018/6/1

N2 - The atomic and electronic structure of intrinsic point defects in orthorhombic tantalum oxide has been studied by numerical simulation within the density functional theory. It has been shown that all defects responsible for metal enrichment of Ta2O5 serve as electron and hole traps. Under conditions of strong oxygen depletion and at a metal–insulator interface, which are characteristic of resistive memory elements, interstitial tantalum atoms compete with an oxygen vacancy in the formation of a conducting filament. Interstitial oxygen atoms are not involved in charge transport. Tantalum substituting oxygen can be considered as a combination of the oxygen vacancy and interstitial tantalum. The analysis of the calculated thermal and optical energies of trap ionization shows that the oxygen vacancy is a key defect for charge transport in Ta2O5.

AB - The atomic and electronic structure of intrinsic point defects in orthorhombic tantalum oxide has been studied by numerical simulation within the density functional theory. It has been shown that all defects responsible for metal enrichment of Ta2O5 serve as electron and hole traps. Under conditions of strong oxygen depletion and at a metal–insulator interface, which are characteristic of resistive memory elements, interstitial tantalum atoms compete with an oxygen vacancy in the formation of a conducting filament. Interstitial oxygen atoms are not involved in charge transport. Tantalum substituting oxygen can be considered as a combination of the oxygen vacancy and interstitial tantalum. The analysis of the calculated thermal and optical energies of trap ionization shows that the oxygen vacancy is a key defect for charge transport in Ta2O5.

UR - http://www.scopus.com/inward/record.url?scp=85052404825&partnerID=8YFLogxK

U2 - 10.1134/S0021364018120111

DO - 10.1134/S0021364018120111

M3 - Article

AN - SCOPUS:85052404825

VL - 107

SP - 761

EP - 765

JO - JETP Letters

JF - JETP Letters

SN - 0021-3640

IS - 12

ER -

ID: 16266255