On downscaling of the tantalum oxides from three to zero dimensions
Considering the recent interests in device miniaturization prompted by developments in nanotechnology, study of changes in physical properties of electronic materials upon downscaling to lower dimensions has become more important. This study is aimed at investigating the structural and electronic pr...
Ausführliche Beschreibung
Autor*in: |
Jabeen, Alia [verfasserIn] |
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E-Artikel |
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Englisch |
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2022transfer abstract |
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Enthalten in: Thermal and mechanical characterization of fly ash geopolymer with aluminium chloride and potassium hydroxide treated hemp shiv lightweight aggregate - Narattha, Chalermphan ELSEVIER, 2022, Amsterdam [u.a.] |
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Übergeordnetes Werk: |
volume:151 ; year:2022 ; day:15 ; month:11 ; pages:0 |
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DOI / URN: |
10.1016/j.mssp.2022.107014 |
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Katalog-ID: |
ELV058787291 |
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245 | 1 | 0 | |a On downscaling of the tantalum oxides from three to zero dimensions |
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520 | |a Considering the recent interests in device miniaturization prompted by developments in nanotechnology, study of changes in physical properties of electronic materials upon downscaling to lower dimensions has become more important. This study is aimed at investigating the structural and electronic properties of the tantalum oxides ( TaO , TaO 2 , Ta 2 O 3 , TaO 3 ) in the bulk and lower dimensions of slab, chains and clusters. The predictions pointed out that T a O , TaO2 and Ta2O3 prefer to crystallize in bulk whereas TaO3 stabilizes in form of clusters. The bulk, slab, chains and clusters of TaO exhibit metallic character due to d-electrons at Fermi level. The bulk, slab and clusters of TaO 2 offers the metallic character due to the presence of major contribution of Ta-d states at Fermi level, while the chains appeared as narrow-gap semiconductor which points to a transition from metallic to semiconducting character on downscaling. The bulk and chains of TaO3 exhibited metallic behavior due to presence of p-states on Fermi level, while the clusters are semiconductors having band gap 2.6 eV. Ta2O3 in bulk, slab and chains show metallic character due to presence of d-states of Ta at Fermi level, while the clusters possess the semiconducting nature. In general, the transition from metallic to semiconducting character is observed upon the downscaling. This study gives the valuable predictions for the future usage of these materials in several electronic applications and devices. | ||
520 | |a Considering the recent interests in device miniaturization prompted by developments in nanotechnology, study of changes in physical properties of electronic materials upon downscaling to lower dimensions has become more important. This study is aimed at investigating the structural and electronic properties of the tantalum oxides ( TaO , TaO 2 , Ta 2 O 3 , TaO 3 ) in the bulk and lower dimensions of slab, chains and clusters. The predictions pointed out that T a O , TaO2 and Ta2O3 prefer to crystallize in bulk whereas TaO3 stabilizes in form of clusters. The bulk, slab, chains and clusters of TaO exhibit metallic character due to d-electrons at Fermi level. The bulk, slab and clusters of TaO 2 offers the metallic character due to the presence of major contribution of Ta-d states at Fermi level, while the chains appeared as narrow-gap semiconductor which points to a transition from metallic to semiconducting character on downscaling. The bulk and chains of TaO3 exhibited metallic behavior due to presence of p-states on Fermi level, while the clusters are semiconductors having band gap 2.6 eV. Ta2O3 in bulk, slab and chains show metallic character due to presence of d-states of Ta at Fermi level, while the clusters possess the semiconducting nature. In general, the transition from metallic to semiconducting character is observed upon the downscaling. This study gives the valuable predictions for the future usage of these materials in several electronic applications and devices. | ||
650 | 7 | |a 1D metal oxides |2 Elsevier | |
650 | 7 | |a Structural and electronic properties |2 Elsevier | |
650 | 7 | |a Formation energy analysis |2 Elsevier | |
650 | 7 | |a Tantalum oxides |2 Elsevier | |
650 | 7 | |a 0D metal oxides |2 Elsevier | |
650 | 7 | |a Density functional theory |2 Elsevier | |
650 | 7 | |a 3D metal oxides |2 Elsevier | |
650 | 7 | |a 2D metal oxides |2 Elsevier | |
650 | 7 | |a Nanotechnology |2 Elsevier | |
700 | 1 | |a Alkhedher, Mohammad |4 oth | |
700 | 1 | |a Majid, Abdul |4 oth | |
700 | 1 | |a Al Hassan, Najam |4 oth | |
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10.1016/j.mssp.2022.107014 doi /cbs_pica/cbs_olc/import_discovery/elsevier/einzuspielen/GBV00000000001887.pica (DE-627)ELV058787291 (ELSEVIER)S1369-8001(22)00543-1 DE-627 ger DE-627 rakwb eng 690 VZ 56.45 bkl Jabeen, Alia verfasserin aut On downscaling of the tantalum oxides from three to zero dimensions 2022transfer abstract nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier Considering the recent interests in device miniaturization prompted by developments in nanotechnology, study of changes in physical properties of electronic materials upon downscaling to lower dimensions has become more important. This study is aimed at investigating the structural and electronic properties of the tantalum oxides ( TaO , TaO 2 , Ta 2 O 3 , TaO 3 ) in the bulk and lower dimensions of slab, chains and clusters. The predictions pointed out that T a O , TaO2 and Ta2O3 prefer to crystallize in bulk whereas TaO3 stabilizes in form of clusters. The bulk, slab, chains and clusters of TaO exhibit metallic character due to d-electrons at Fermi level. The bulk, slab and clusters of TaO 2 offers the metallic character due to the presence of major contribution of Ta-d states at Fermi level, while the chains appeared as narrow-gap semiconductor which points to a transition from metallic to semiconducting character on downscaling. The bulk and chains of TaO3 exhibited metallic behavior due to presence of p-states on Fermi level, while the clusters are semiconductors having band gap 2.6 eV. Ta2O3 in bulk, slab and chains show metallic character due to presence of d-states of Ta at Fermi level, while the clusters possess the semiconducting nature. In general, the transition from metallic to semiconducting character is observed upon the downscaling. This study gives the valuable predictions for the future usage of these materials in several electronic applications and devices. Considering the recent interests in device miniaturization prompted by developments in nanotechnology, study of changes in physical properties of electronic materials upon downscaling to lower dimensions has become more important. This study is aimed at investigating the structural and electronic properties of the tantalum oxides ( TaO , TaO 2 , Ta 2 O 3 , TaO 3 ) in the bulk and lower dimensions of slab, chains and clusters. The predictions pointed out that T a O , TaO2 and Ta2O3 prefer to crystallize in bulk whereas TaO3 stabilizes in form of clusters. The bulk, slab, chains and clusters of TaO exhibit metallic character due to d-electrons at Fermi level. The bulk, slab and clusters of TaO 2 offers the metallic character due to the presence of major contribution of Ta-d states at Fermi level, while the chains appeared as narrow-gap semiconductor which points to a transition from metallic to semiconducting character on downscaling. The bulk and chains of TaO3 exhibited metallic behavior due to presence of p-states on Fermi level, while the clusters are semiconductors having band gap 2.6 eV. Ta2O3 in bulk, slab and chains show metallic character due to presence of d-states of Ta at Fermi level, while the clusters possess the semiconducting nature. In general, the transition from metallic to semiconducting character is observed upon the downscaling. This study gives the valuable predictions for the future usage of these materials in several electronic applications and devices. 1D metal oxides Elsevier Structural and electronic properties Elsevier Formation energy analysis Elsevier Tantalum oxides Elsevier 0D metal oxides Elsevier Density functional theory Elsevier 3D metal oxides Elsevier 2D metal oxides Elsevier Nanotechnology Elsevier Alkhedher, Mohammad oth Majid, Abdul oth Al Hassan, Najam oth Enthalten in Elsevier Science Narattha, Chalermphan ELSEVIER Thermal and mechanical characterization of fly ash geopolymer with aluminium chloride and potassium hydroxide treated hemp shiv lightweight aggregate 2022 Amsterdam [u.a.] (DE-627)ELV007709056 volume:151 year:2022 day:15 month:11 pages:0 https://doi.org/10.1016/j.mssp.2022.107014 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U 56.45 Baustoffkunde VZ AR 151 2022 15 1115 0 |
spelling |
10.1016/j.mssp.2022.107014 doi /cbs_pica/cbs_olc/import_discovery/elsevier/einzuspielen/GBV00000000001887.pica (DE-627)ELV058787291 (ELSEVIER)S1369-8001(22)00543-1 DE-627 ger DE-627 rakwb eng 690 VZ 56.45 bkl Jabeen, Alia verfasserin aut On downscaling of the tantalum oxides from three to zero dimensions 2022transfer abstract nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier Considering the recent interests in device miniaturization prompted by developments in nanotechnology, study of changes in physical properties of electronic materials upon downscaling to lower dimensions has become more important. This study is aimed at investigating the structural and electronic properties of the tantalum oxides ( TaO , TaO 2 , Ta 2 O 3 , TaO 3 ) in the bulk and lower dimensions of slab, chains and clusters. The predictions pointed out that T a O , TaO2 and Ta2O3 prefer to crystallize in bulk whereas TaO3 stabilizes in form of clusters. The bulk, slab, chains and clusters of TaO exhibit metallic character due to d-electrons at Fermi level. The bulk, slab and clusters of TaO 2 offers the metallic character due to the presence of major contribution of Ta-d states at Fermi level, while the chains appeared as narrow-gap semiconductor which points to a transition from metallic to semiconducting character on downscaling. The bulk and chains of TaO3 exhibited metallic behavior due to presence of p-states on Fermi level, while the clusters are semiconductors having band gap 2.6 eV. Ta2O3 in bulk, slab and chains show metallic character due to presence of d-states of Ta at Fermi level, while the clusters possess the semiconducting nature. In general, the transition from metallic to semiconducting character is observed upon the downscaling. This study gives the valuable predictions for the future usage of these materials in several electronic applications and devices. Considering the recent interests in device miniaturization prompted by developments in nanotechnology, study of changes in physical properties of electronic materials upon downscaling to lower dimensions has become more important. This study is aimed at investigating the structural and electronic properties of the tantalum oxides ( TaO , TaO 2 , Ta 2 O 3 , TaO 3 ) in the bulk and lower dimensions of slab, chains and clusters. The predictions pointed out that T a O , TaO2 and Ta2O3 prefer to crystallize in bulk whereas TaO3 stabilizes in form of clusters. The bulk, slab, chains and clusters of TaO exhibit metallic character due to d-electrons at Fermi level. The bulk, slab and clusters of TaO 2 offers the metallic character due to the presence of major contribution of Ta-d states at Fermi level, while the chains appeared as narrow-gap semiconductor which points to a transition from metallic to semiconducting character on downscaling. The bulk and chains of TaO3 exhibited metallic behavior due to presence of p-states on Fermi level, while the clusters are semiconductors having band gap 2.6 eV. Ta2O3 in bulk, slab and chains show metallic character due to presence of d-states of Ta at Fermi level, while the clusters possess the semiconducting nature. In general, the transition from metallic to semiconducting character is observed upon the downscaling. This study gives the valuable predictions for the future usage of these materials in several electronic applications and devices. 1D metal oxides Elsevier Structural and electronic properties Elsevier Formation energy analysis Elsevier Tantalum oxides Elsevier 0D metal oxides Elsevier Density functional theory Elsevier 3D metal oxides Elsevier 2D metal oxides Elsevier Nanotechnology Elsevier Alkhedher, Mohammad oth Majid, Abdul oth Al Hassan, Najam oth Enthalten in Elsevier Science Narattha, Chalermphan ELSEVIER Thermal and mechanical characterization of fly ash geopolymer with aluminium chloride and potassium hydroxide treated hemp shiv lightweight aggregate 2022 Amsterdam [u.a.] (DE-627)ELV007709056 volume:151 year:2022 day:15 month:11 pages:0 https://doi.org/10.1016/j.mssp.2022.107014 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U 56.45 Baustoffkunde VZ AR 151 2022 15 1115 0 |
allfields_unstemmed |
10.1016/j.mssp.2022.107014 doi /cbs_pica/cbs_olc/import_discovery/elsevier/einzuspielen/GBV00000000001887.pica (DE-627)ELV058787291 (ELSEVIER)S1369-8001(22)00543-1 DE-627 ger DE-627 rakwb eng 690 VZ 56.45 bkl Jabeen, Alia verfasserin aut On downscaling of the tantalum oxides from three to zero dimensions 2022transfer abstract nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier Considering the recent interests in device miniaturization prompted by developments in nanotechnology, study of changes in physical properties of electronic materials upon downscaling to lower dimensions has become more important. This study is aimed at investigating the structural and electronic properties of the tantalum oxides ( TaO , TaO 2 , Ta 2 O 3 , TaO 3 ) in the bulk and lower dimensions of slab, chains and clusters. The predictions pointed out that T a O , TaO2 and Ta2O3 prefer to crystallize in bulk whereas TaO3 stabilizes in form of clusters. The bulk, slab, chains and clusters of TaO exhibit metallic character due to d-electrons at Fermi level. The bulk, slab and clusters of TaO 2 offers the metallic character due to the presence of major contribution of Ta-d states at Fermi level, while the chains appeared as narrow-gap semiconductor which points to a transition from metallic to semiconducting character on downscaling. The bulk and chains of TaO3 exhibited metallic behavior due to presence of p-states on Fermi level, while the clusters are semiconductors having band gap 2.6 eV. Ta2O3 in bulk, slab and chains show metallic character due to presence of d-states of Ta at Fermi level, while the clusters possess the semiconducting nature. In general, the transition from metallic to semiconducting character is observed upon the downscaling. This study gives the valuable predictions for the future usage of these materials in several electronic applications and devices. Considering the recent interests in device miniaturization prompted by developments in nanotechnology, study of changes in physical properties of electronic materials upon downscaling to lower dimensions has become more important. This study is aimed at investigating the structural and electronic properties of the tantalum oxides ( TaO , TaO 2 , Ta 2 O 3 , TaO 3 ) in the bulk and lower dimensions of slab, chains and clusters. The predictions pointed out that T a O , TaO2 and Ta2O3 prefer to crystallize in bulk whereas TaO3 stabilizes in form of clusters. The bulk, slab, chains and clusters of TaO exhibit metallic character due to d-electrons at Fermi level. The bulk, slab and clusters of TaO 2 offers the metallic character due to the presence of major contribution of Ta-d states at Fermi level, while the chains appeared as narrow-gap semiconductor which points to a transition from metallic to semiconducting character on downscaling. The bulk and chains of TaO3 exhibited metallic behavior due to presence of p-states on Fermi level, while the clusters are semiconductors having band gap 2.6 eV. Ta2O3 in bulk, slab and chains show metallic character due to presence of d-states of Ta at Fermi level, while the clusters possess the semiconducting nature. In general, the transition from metallic to semiconducting character is observed upon the downscaling. This study gives the valuable predictions for the future usage of these materials in several electronic applications and devices. 1D metal oxides Elsevier Structural and electronic properties Elsevier Formation energy analysis Elsevier Tantalum oxides Elsevier 0D metal oxides Elsevier Density functional theory Elsevier 3D metal oxides Elsevier 2D metal oxides Elsevier Nanotechnology Elsevier Alkhedher, Mohammad oth Majid, Abdul oth Al Hassan, Najam oth Enthalten in Elsevier Science Narattha, Chalermphan ELSEVIER Thermal and mechanical characterization of fly ash geopolymer with aluminium chloride and potassium hydroxide treated hemp shiv lightweight aggregate 2022 Amsterdam [u.a.] (DE-627)ELV007709056 volume:151 year:2022 day:15 month:11 pages:0 https://doi.org/10.1016/j.mssp.2022.107014 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U 56.45 Baustoffkunde VZ AR 151 2022 15 1115 0 |
allfieldsGer |
10.1016/j.mssp.2022.107014 doi /cbs_pica/cbs_olc/import_discovery/elsevier/einzuspielen/GBV00000000001887.pica (DE-627)ELV058787291 (ELSEVIER)S1369-8001(22)00543-1 DE-627 ger DE-627 rakwb eng 690 VZ 56.45 bkl Jabeen, Alia verfasserin aut On downscaling of the tantalum oxides from three to zero dimensions 2022transfer abstract nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier Considering the recent interests in device miniaturization prompted by developments in nanotechnology, study of changes in physical properties of electronic materials upon downscaling to lower dimensions has become more important. This study is aimed at investigating the structural and electronic properties of the tantalum oxides ( TaO , TaO 2 , Ta 2 O 3 , TaO 3 ) in the bulk and lower dimensions of slab, chains and clusters. The predictions pointed out that T a O , TaO2 and Ta2O3 prefer to crystallize in bulk whereas TaO3 stabilizes in form of clusters. The bulk, slab, chains and clusters of TaO exhibit metallic character due to d-electrons at Fermi level. The bulk, slab and clusters of TaO 2 offers the metallic character due to the presence of major contribution of Ta-d states at Fermi level, while the chains appeared as narrow-gap semiconductor which points to a transition from metallic to semiconducting character on downscaling. The bulk and chains of TaO3 exhibited metallic behavior due to presence of p-states on Fermi level, while the clusters are semiconductors having band gap 2.6 eV. Ta2O3 in bulk, slab and chains show metallic character due to presence of d-states of Ta at Fermi level, while the clusters possess the semiconducting nature. In general, the transition from metallic to semiconducting character is observed upon the downscaling. This study gives the valuable predictions for the future usage of these materials in several electronic applications and devices. Considering the recent interests in device miniaturization prompted by developments in nanotechnology, study of changes in physical properties of electronic materials upon downscaling to lower dimensions has become more important. This study is aimed at investigating the structural and electronic properties of the tantalum oxides ( TaO , TaO 2 , Ta 2 O 3 , TaO 3 ) in the bulk and lower dimensions of slab, chains and clusters. The predictions pointed out that T a O , TaO2 and Ta2O3 prefer to crystallize in bulk whereas TaO3 stabilizes in form of clusters. The bulk, slab, chains and clusters of TaO exhibit metallic character due to d-electrons at Fermi level. The bulk, slab and clusters of TaO 2 offers the metallic character due to the presence of major contribution of Ta-d states at Fermi level, while the chains appeared as narrow-gap semiconductor which points to a transition from metallic to semiconducting character on downscaling. The bulk and chains of TaO3 exhibited metallic behavior due to presence of p-states on Fermi level, while the clusters are semiconductors having band gap 2.6 eV. Ta2O3 in bulk, slab and chains show metallic character due to presence of d-states of Ta at Fermi level, while the clusters possess the semiconducting nature. In general, the transition from metallic to semiconducting character is observed upon the downscaling. This study gives the valuable predictions for the future usage of these materials in several electronic applications and devices. 1D metal oxides Elsevier Structural and electronic properties Elsevier Formation energy analysis Elsevier Tantalum oxides Elsevier 0D metal oxides Elsevier Density functional theory Elsevier 3D metal oxides Elsevier 2D metal oxides Elsevier Nanotechnology Elsevier Alkhedher, Mohammad oth Majid, Abdul oth Al Hassan, Najam oth Enthalten in Elsevier Science Narattha, Chalermphan ELSEVIER Thermal and mechanical characterization of fly ash geopolymer with aluminium chloride and potassium hydroxide treated hemp shiv lightweight aggregate 2022 Amsterdam [u.a.] (DE-627)ELV007709056 volume:151 year:2022 day:15 month:11 pages:0 https://doi.org/10.1016/j.mssp.2022.107014 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U 56.45 Baustoffkunde VZ AR 151 2022 15 1115 0 |
allfieldsSound |
10.1016/j.mssp.2022.107014 doi /cbs_pica/cbs_olc/import_discovery/elsevier/einzuspielen/GBV00000000001887.pica (DE-627)ELV058787291 (ELSEVIER)S1369-8001(22)00543-1 DE-627 ger DE-627 rakwb eng 690 VZ 56.45 bkl Jabeen, Alia verfasserin aut On downscaling of the tantalum oxides from three to zero dimensions 2022transfer abstract nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier Considering the recent interests in device miniaturization prompted by developments in nanotechnology, study of changes in physical properties of electronic materials upon downscaling to lower dimensions has become more important. This study is aimed at investigating the structural and electronic properties of the tantalum oxides ( TaO , TaO 2 , Ta 2 O 3 , TaO 3 ) in the bulk and lower dimensions of slab, chains and clusters. The predictions pointed out that T a O , TaO2 and Ta2O3 prefer to crystallize in bulk whereas TaO3 stabilizes in form of clusters. The bulk, slab, chains and clusters of TaO exhibit metallic character due to d-electrons at Fermi level. The bulk, slab and clusters of TaO 2 offers the metallic character due to the presence of major contribution of Ta-d states at Fermi level, while the chains appeared as narrow-gap semiconductor which points to a transition from metallic to semiconducting character on downscaling. The bulk and chains of TaO3 exhibited metallic behavior due to presence of p-states on Fermi level, while the clusters are semiconductors having band gap 2.6 eV. Ta2O3 in bulk, slab and chains show metallic character due to presence of d-states of Ta at Fermi level, while the clusters possess the semiconducting nature. In general, the transition from metallic to semiconducting character is observed upon the downscaling. This study gives the valuable predictions for the future usage of these materials in several electronic applications and devices. Considering the recent interests in device miniaturization prompted by developments in nanotechnology, study of changes in physical properties of electronic materials upon downscaling to lower dimensions has become more important. This study is aimed at investigating the structural and electronic properties of the tantalum oxides ( TaO , TaO 2 , Ta 2 O 3 , TaO 3 ) in the bulk and lower dimensions of slab, chains and clusters. The predictions pointed out that T a O , TaO2 and Ta2O3 prefer to crystallize in bulk whereas TaO3 stabilizes in form of clusters. The bulk, slab, chains and clusters of TaO exhibit metallic character due to d-electrons at Fermi level. The bulk, slab and clusters of TaO 2 offers the metallic character due to the presence of major contribution of Ta-d states at Fermi level, while the chains appeared as narrow-gap semiconductor which points to a transition from metallic to semiconducting character on downscaling. The bulk and chains of TaO3 exhibited metallic behavior due to presence of p-states on Fermi level, while the clusters are semiconductors having band gap 2.6 eV. Ta2O3 in bulk, slab and chains show metallic character due to presence of d-states of Ta at Fermi level, while the clusters possess the semiconducting nature. In general, the transition from metallic to semiconducting character is observed upon the downscaling. This study gives the valuable predictions for the future usage of these materials in several electronic applications and devices. 1D metal oxides Elsevier Structural and electronic properties Elsevier Formation energy analysis Elsevier Tantalum oxides Elsevier 0D metal oxides Elsevier Density functional theory Elsevier 3D metal oxides Elsevier 2D metal oxides Elsevier Nanotechnology Elsevier Alkhedher, Mohammad oth Majid, Abdul oth Al Hassan, Najam oth Enthalten in Elsevier Science Narattha, Chalermphan ELSEVIER Thermal and mechanical characterization of fly ash geopolymer with aluminium chloride and potassium hydroxide treated hemp shiv lightweight aggregate 2022 Amsterdam [u.a.] (DE-627)ELV007709056 volume:151 year:2022 day:15 month:11 pages:0 https://doi.org/10.1016/j.mssp.2022.107014 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U 56.45 Baustoffkunde VZ AR 151 2022 15 1115 0 |
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abstract |
Considering the recent interests in device miniaturization prompted by developments in nanotechnology, study of changes in physical properties of electronic materials upon downscaling to lower dimensions has become more important. This study is aimed at investigating the structural and electronic properties of the tantalum oxides ( TaO , TaO 2 , Ta 2 O 3 , TaO 3 ) in the bulk and lower dimensions of slab, chains and clusters. The predictions pointed out that T a O , TaO2 and Ta2O3 prefer to crystallize in bulk whereas TaO3 stabilizes in form of clusters. The bulk, slab, chains and clusters of TaO exhibit metallic character due to d-electrons at Fermi level. The bulk, slab and clusters of TaO 2 offers the metallic character due to the presence of major contribution of Ta-d states at Fermi level, while the chains appeared as narrow-gap semiconductor which points to a transition from metallic to semiconducting character on downscaling. The bulk and chains of TaO3 exhibited metallic behavior due to presence of p-states on Fermi level, while the clusters are semiconductors having band gap 2.6 eV. Ta2O3 in bulk, slab and chains show metallic character due to presence of d-states of Ta at Fermi level, while the clusters possess the semiconducting nature. In general, the transition from metallic to semiconducting character is observed upon the downscaling. This study gives the valuable predictions for the future usage of these materials in several electronic applications and devices. |
abstractGer |
Considering the recent interests in device miniaturization prompted by developments in nanotechnology, study of changes in physical properties of electronic materials upon downscaling to lower dimensions has become more important. This study is aimed at investigating the structural and electronic properties of the tantalum oxides ( TaO , TaO 2 , Ta 2 O 3 , TaO 3 ) in the bulk and lower dimensions of slab, chains and clusters. The predictions pointed out that T a O , TaO2 and Ta2O3 prefer to crystallize in bulk whereas TaO3 stabilizes in form of clusters. The bulk, slab, chains and clusters of TaO exhibit metallic character due to d-electrons at Fermi level. The bulk, slab and clusters of TaO 2 offers the metallic character due to the presence of major contribution of Ta-d states at Fermi level, while the chains appeared as narrow-gap semiconductor which points to a transition from metallic to semiconducting character on downscaling. The bulk and chains of TaO3 exhibited metallic behavior due to presence of p-states on Fermi level, while the clusters are semiconductors having band gap 2.6 eV. Ta2O3 in bulk, slab and chains show metallic character due to presence of d-states of Ta at Fermi level, while the clusters possess the semiconducting nature. In general, the transition from metallic to semiconducting character is observed upon the downscaling. This study gives the valuable predictions for the future usage of these materials in several electronic applications and devices. |
abstract_unstemmed |
Considering the recent interests in device miniaturization prompted by developments in nanotechnology, study of changes in physical properties of electronic materials upon downscaling to lower dimensions has become more important. This study is aimed at investigating the structural and electronic properties of the tantalum oxides ( TaO , TaO 2 , Ta 2 O 3 , TaO 3 ) in the bulk and lower dimensions of slab, chains and clusters. The predictions pointed out that T a O , TaO2 and Ta2O3 prefer to crystallize in bulk whereas TaO3 stabilizes in form of clusters. The bulk, slab, chains and clusters of TaO exhibit metallic character due to d-electrons at Fermi level. The bulk, slab and clusters of TaO 2 offers the metallic character due to the presence of major contribution of Ta-d states at Fermi level, while the chains appeared as narrow-gap semiconductor which points to a transition from metallic to semiconducting character on downscaling. The bulk and chains of TaO3 exhibited metallic behavior due to presence of p-states on Fermi level, while the clusters are semiconductors having band gap 2.6 eV. Ta2O3 in bulk, slab and chains show metallic character due to presence of d-states of Ta at Fermi level, while the clusters possess the semiconducting nature. In general, the transition from metallic to semiconducting character is observed upon the downscaling. This study gives the valuable predictions for the future usage of these materials in several electronic applications and devices. |
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