Atomic and Electronic Structures of Intrinsic Defects in $ Ta_{2} $$ O_{5} $: Ab Initio Simulation
Abstract The atomic and electronic structure of intrinsic point defects in orthorhombic tantalum oxide has been studied by numerical simulation within the density functional theory. It has been shown that all defects responsible for metal enrichment of $ Ta_{2} $$ O_{5} $ serve as electron and hole...
Ausführliche Beschreibung
Gespeichert in:
| Autor*in: |
Perevalov, T. V. [verfasserIn] |
|---|
| Format: |
Artikel |
|---|---|
| Sprache: |
Englisch |
| Erschienen: |
2018 |
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| Anmerkung: |
© Pleiades Publishing, Inc. 2018 |
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| Übergeordnetes Werk: |
Enthalten in: Journal of experimental and theoretical physics / JETP letters - Pleiades Publishing, 1993, 107(2018), 12 vom: Juni, Seite 761-765 |
|---|---|
| Übergeordnetes Werk: |
volume:107 ; year:2018 ; number:12 ; month:06 ; pages:761-765 |
| Links: |
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| DOI / URN: |
10.1134/S0021364018120111 |
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| 520 | |a 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 $ Ta_{2} $$ O_{5} $ serve as electron and hole traps. Under conditions of strong oxygen depletion and at a metal–insulator interface, which are characteristic of resistive memory elements, interstitial tantalum atoms compete with an oxygen vacancy in the formation of a conducting filament. Interstitial oxygen atoms are not involved in charge transport. Tantalum substituting oxygen can be considered as a combination of the oxygen vacancy and interstitial tantalum. The analysis of the calculated thermal and optical energies of trap ionization shows that the oxygen vacancy is a key defect for charge transport in $ Ta_{2} $$ O_{5} $. | ||
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| 700 | 1 | |a Chernykh, I. G. |4 aut | |
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10.1134/S0021364018120111 doi (DE-627)OLC2085824072 (DE-He213)S0021364018120111-p DE-627 ger DE-627 rakwb eng 530 VZ 33.00 bkl Perevalov, T. V. verfasserin aut Atomic and Electronic Structures of Intrinsic Defects in $ Ta_{2} $$ O_{5} $: Ab Initio Simulation 2018 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Pleiades Publishing, Inc. 2018 Abstract The atomic and electronic structure of intrinsic point defects in orthorhombic tantalum oxide has been studied by numerical simulation within the density functional theory. It has been shown that all defects responsible for metal enrichment of $ Ta_{2} $$ O_{5} $ 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 $ Ta_{2} $$ O_{5} $. Islamov, D. R. aut Chernykh, I. G. aut Enthalten in Journal of experimental and theoretical physics / JETP letters Pleiades Publishing, 1993 107(2018), 12 vom: Juni, Seite 761-765 (DE-627)182384713 (DE-600)917787-5 (DE-576)053745841 0021-3640 nnns volume:107 year:2018 number:12 month:06 pages:761-765 https://doi.org/10.1134/S0021364018120111 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY 33.00 VZ AR 107 2018 12 06 761-765 |
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10.1134/S0021364018120111 doi (DE-627)OLC2085824072 (DE-He213)S0021364018120111-p DE-627 ger DE-627 rakwb eng 530 VZ 33.00 bkl Perevalov, T. V. verfasserin aut Atomic and Electronic Structures of Intrinsic Defects in $ Ta_{2} $$ O_{5} $: Ab Initio Simulation 2018 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Pleiades Publishing, Inc. 2018 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 $ Ta_{2} $$ O_{5} $ serve as electron and hole traps. Under conditions of strong oxygen depletion and at a metal–insulator interface, which are characteristic of resistive memory elements, interstitial tantalum atoms compete with an oxygen vacancy in the formation of a conducting filament. Interstitial oxygen atoms are not involved in charge transport. Tantalum substituting oxygen can be considered as a combination of the oxygen vacancy and interstitial tantalum. The analysis of the calculated thermal and optical energies of trap ionization shows that the oxygen vacancy is a key defect for charge transport in $ Ta_{2} $$ O_{5} $. Islamov, D. R. aut Chernykh, I. G. aut Enthalten in Journal of experimental and theoretical physics / JETP letters Pleiades Publishing, 1993 107(2018), 12 vom: Juni, Seite 761-765 (DE-627)182384713 (DE-600)917787-5 (DE-576)053745841 0021-3640 nnns volume:107 year:2018 number:12 month:06 pages:761-765 https://doi.org/10.1134/S0021364018120111 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY 33.00 VZ AR 107 2018 12 06 761-765 |
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10.1134/S0021364018120111 doi (DE-627)OLC2085824072 (DE-He213)S0021364018120111-p DE-627 ger DE-627 rakwb eng 530 VZ 33.00 bkl Perevalov, T. V. verfasserin aut Atomic and Electronic Structures of Intrinsic Defects in $ Ta_{2} $$ O_{5} $: Ab Initio Simulation 2018 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Pleiades Publishing, Inc. 2018 Abstract The atomic and electronic structure of intrinsic point defects in orthorhombic tantalum oxide has been studied by numerical simulation within the density functional theory. It has been shown that all defects responsible for metal enrichment of $ Ta_{2} $$ O_{5} $ 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 $ Ta_{2} $$ O_{5} $. Islamov, D. R. aut Chernykh, I. G. aut Enthalten in Journal of experimental and theoretical physics / JETP letters Pleiades Publishing, 1993 107(2018), 12 vom: Juni, Seite 761-765 (DE-627)182384713 (DE-600)917787-5 (DE-576)053745841 0021-3640 nnns volume:107 year:2018 number:12 month:06 pages:761-765 https://doi.org/10.1134/S0021364018120111 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY 33.00 VZ AR 107 2018 12 06 761-765 |
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10.1134/S0021364018120111 doi (DE-627)OLC2085824072 (DE-He213)S0021364018120111-p DE-627 ger DE-627 rakwb eng 530 VZ 33.00 bkl Perevalov, T. V. verfasserin aut Atomic and Electronic Structures of Intrinsic Defects in $ Ta_{2} $$ O_{5} $: Ab Initio Simulation 2018 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Pleiades Publishing, Inc. 2018 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 $ Ta_{2} $$ O_{5} $ serve as electron and hole traps. Under conditions of strong oxygen depletion and at a metal–insulator interface, which are characteristic of resistive memory elements, interstitial tantalum atoms compete with an oxygen vacancy in the formation of a conducting filament. Interstitial oxygen atoms are not involved in charge transport. Tantalum substituting oxygen can be considered as a combination of the oxygen vacancy and interstitial tantalum. The analysis of the calculated thermal and optical energies of trap ionization shows that the oxygen vacancy is a key defect for charge transport in $ Ta_{2} $$ O_{5} $. Islamov, D. R. aut Chernykh, I. G. aut Enthalten in Journal of experimental and theoretical physics / JETP letters Pleiades Publishing, 1993 107(2018), 12 vom: Juni, Seite 761-765 (DE-627)182384713 (DE-600)917787-5 (DE-576)053745841 0021-3640 nnns volume:107 year:2018 number:12 month:06 pages:761-765 https://doi.org/10.1134/S0021364018120111 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY 33.00 VZ AR 107 2018 12 06 761-765 |
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10.1134/S0021364018120111 doi (DE-627)OLC2085824072 (DE-He213)S0021364018120111-p DE-627 ger DE-627 rakwb eng 530 VZ 33.00 bkl Perevalov, T. V. verfasserin aut Atomic and Electronic Structures of Intrinsic Defects in $ Ta_{2} $$ O_{5} $: Ab Initio Simulation 2018 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Pleiades Publishing, Inc. 2018 Abstract The atomic and electronic structure of intrinsic point defects in orthorhombic tantalum oxide has been studied by numerical simulation within the density functional theory. It has been shown that all defects responsible for metal enrichment of $ Ta_{2} $$ O_{5} $ 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 $ Ta_{2} $$ O_{5} $. Islamov, D. R. aut Chernykh, I. G. aut Enthalten in Journal of experimental and theoretical physics / JETP letters Pleiades Publishing, 1993 107(2018), 12 vom: Juni, Seite 761-765 (DE-627)182384713 (DE-600)917787-5 (DE-576)053745841 0021-3640 nnns volume:107 year:2018 number:12 month:06 pages:761-765 https://doi.org/10.1134/S0021364018120111 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY 33.00 VZ AR 107 2018 12 06 761-765 |
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Abstract The atomic and electronic structure of intrinsic point defects in orthorhombic tantalum oxide has been studied by numerical simulation within the density functional theory. It has been shown that all defects responsible for metal enrichment of $ Ta_{2} $$ O_{5} $ 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 $ Ta_{2} $$ O_{5} $. © Pleiades Publishing, Inc. 2018 |
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Abstract The atomic and electronic structure of intrinsic point defects in orthorhombic tantalum oxide has been studied by numerical simulation within the density functional theory. It has been shown that all defects responsible for metal enrichment of $ Ta_{2} $$ O_{5} $ 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 $ Ta_{2} $$ O_{5} $. © Pleiades Publishing, Inc. 2018 |
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Abstract The atomic and electronic structure of intrinsic point defects in orthorhombic tantalum oxide has been studied by numerical simulation within the density functional theory. It has been shown that all defects responsible for metal enrichment of $ Ta_{2} $$ O_{5} $ 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 $ Ta_{2} $$ O_{5} $. © Pleiades Publishing, Inc. 2018 |
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V.</subfield><subfield code="e">verfasserin</subfield><subfield code="4">aut</subfield></datafield><datafield tag="245" ind1="1" ind2="0"><subfield code="a">Atomic and Electronic Structures of Intrinsic Defects in $ Ta_{2} $$ O_{5} $: Ab Initio Simulation</subfield></datafield><datafield tag="264" ind1=" " ind2="1"><subfield code="c">2018</subfield></datafield><datafield tag="336" ind1=" " ind2=" "><subfield code="a">Text</subfield><subfield code="b">txt</subfield><subfield code="2">rdacontent</subfield></datafield><datafield tag="337" ind1=" " ind2=" "><subfield code="a">ohne Hilfsmittel zu benutzen</subfield><subfield code="b">n</subfield><subfield code="2">rdamedia</subfield></datafield><datafield tag="338" ind1=" " ind2=" "><subfield code="a">Band</subfield><subfield code="b">nc</subfield><subfield code="2">rdacarrier</subfield></datafield><datafield tag="500" ind1=" " ind2=" "><subfield code="a">© Pleiades Publishing, Inc. 2018</subfield></datafield><datafield tag="520" ind1=" " ind2=" "><subfield code="a">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 $ Ta_{2} $$ O_{5} $ serve as electron and hole traps. Under conditions of strong oxygen depletion and at a metal–insulator interface, which are characteristic of resistive memory elements, interstitial tantalum atoms compete with an oxygen vacancy in the formation of a conducting filament. Interstitial oxygen atoms are not involved in charge transport. Tantalum substituting oxygen can be considered as a combination of the oxygen vacancy and interstitial tantalum. The analysis of the calculated thermal and optical energies of trap ionization shows that the oxygen vacancy is a key defect for charge transport in $ Ta_{2} $$ O_{5} $.</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Islamov, D. R.</subfield><subfield code="4">aut</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Chernykh, I. 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