Oxygen polyvacancy in anatas as a filament: First principle investigation

T. V. Perevalov; D. R. Islamov

doi:10.1088/1742-6596/864/1/012084

Oxygen polyvacancy in anatas as a filament: First principle investigation

Результат исследования: Научные публикации в периодических изданиях › статья по материалам конференции › рецензирование

Аннотация

We investigate oxygen-deficient anatase using quantum-chemical simulation within the density functional theory. It was found that the most energetically favorable spatial configuration of an oxygen polyvacancy is a three-dimensional chain in crystallographic direction [100] or [010]. The ability of oxygen polyvacancy in the form of a chain to act as a conductive filament and to participate in the resistive switching is discussed.

Язык оригинала	английский
Номер статьи	012084
Число страниц	4
Журнал	Journal of Physics: Conference Series
Том	864
Номер выпуска	1
DOI	https://doi.org/10.1088/1742-6596/864/1/012084
Состояние	Опубликовано - 15 авг 2017

Доступ к документу

10.1088/1742-6596/864/1/012084

Link to publication in Scopus

Fingerprint Подробные сведения о темах исследования «Oxygen polyvacancy in anatas as a filament: First principle investigation». Вместе они формируют уникальный семантический отпечаток (fingerprint).

Цитировать

@article{72d59ba9b719460c8a61de1970b02efa,

title = "Oxygen polyvacancy in anatas as a filament: First principle investigation",

abstract = "We investigate oxygen-deficient anatase using quantum-chemical simulation within the density functional theory. It was found that the most energetically favorable spatial configuration of an oxygen polyvacancy is a three-dimensional chain in crystallographic direction [100] or [010]. The ability of oxygen polyvacancy in the form of a chain to act as a conductive filament and to participate in the resistive switching is discussed.",

keywords = "ELECTRONIC-STRUCTURE, TIO2, MEMORY",

author = "Perevalov, {T. V.} and Islamov, {D. R.}",

year = "2017",

month = aug,

day = "15",

doi = "10.1088/1742-6596/864/1/012084",

language = "English",

volume = "864",

journal = "Journal of Physics: Conference Series",

issn = "1742-6588",

publisher = "IOP Publishing Ltd.",

number = "1",

}

Oxygen polyvacancy in anatas as a filament : First principle investigation. / Perevalov, T. V.; Islamov, D. R.

В: Journal of Physics: Conference Series, Том 864, № 1, 012084, 15.08.2017.

Результат исследования: Научные публикации в периодических изданиях › статья по материалам конференции › рецензирование

TY - JOUR

T1 - Oxygen polyvacancy in anatas as a filament

T2 - First principle investigation

AU - Perevalov, T. V.

AU - Islamov, D. R.

PY - 2017/8/15

Y1 - 2017/8/15

N2 - We investigate oxygen-deficient anatase using quantum-chemical simulation within the density functional theory. It was found that the most energetically favorable spatial configuration of an oxygen polyvacancy is a three-dimensional chain in crystallographic direction [100] or [010]. The ability of oxygen polyvacancy in the form of a chain to act as a conductive filament and to participate in the resistive switching is discussed.

AB - We investigate oxygen-deficient anatase using quantum-chemical simulation within the density functional theory. It was found that the most energetically favorable spatial configuration of an oxygen polyvacancy is a three-dimensional chain in crystallographic direction [100] or [010]. The ability of oxygen polyvacancy in the form of a chain to act as a conductive filament and to participate in the resistive switching is discussed.

KW - ELECTRONIC-STRUCTURE

KW - TIO2

KW - MEMORY

UR - http://www.scopus.com/inward/record.url?scp=85028766692&partnerID=8YFLogxK

U2 - 10.1088/1742-6596/864/1/012084

DO - 10.1088/1742-6596/864/1/012084

M3 - Conference article

AN - SCOPUS:85028766692

VL - 864

JO - Journal of Physics: Conference Series

JF - Journal of Physics: Conference Series

SN - 1742-6588

IS - 1

M1 - 012084

ER -