Результаты исследований: Научные публикации в периодических изданиях › статья по материалам конференции › Рецензирование
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.Результаты исследований: Научные публикации в периодических изданиях › статья по материалам конференции › Рецензирование
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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 -
ID: 9915556