Influence of La on electronic structure of a-Al2O3 high k-gate from first principles
نویسنده:
, , , , ,سال
: 2005
چکیده: Abstract
The theoretical effects of La on electronic structure of Al2O3 high k-gate have been studied by first principles. The electronic properties of pure -Al2O3 and La aluminates (Al2-xaxO3, x = 0.50) were studied by using the density functional theory. The calculations were performed by the full potential-linearized augmented plane wave (FP-LAPW) method with the generalized gradient approximation (GGA). The calculated electronic structure and charge density yield a band gap of 6.4 eV for pure -Al2O3 (without empirical correction factor) at the point in the Brillouin zone, fairly close to experimental values. The substitution of La reduces the band gap to 3.6 eV for Al1.5La0.5O3. The calculated density of states (DOS) of -Al2O3 is in good agreement with recent experimental XPS and XES data.
The theoretical effects of La on electronic structure of Al2O3 high k-gate have been studied by first principles. The electronic properties of pure -Al2O3 and La aluminates (Al2-xaxO3, x = 0.50) were studied by using the density functional theory. The calculations were performed by the full potential-linearized augmented plane wave (FP-LAPW) method with the generalized gradient approximation (GGA). The calculated electronic structure and charge density yield a band gap of 6.4 eV for pure -Al2O3 (without empirical correction factor) at the point in the Brillouin zone, fairly close to experimental values. The substitution of La reduces the band gap to 3.6 eV for Al1.5La0.5O3. The calculated density of states (DOS) of -Al2O3 is in good agreement with recent experimental XPS and XES data.
کلیدواژه(گان): Influence of La on electronic structure of a-Al2O3 high k-gate from first principles
کالکشن
:
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آمار بازدید
Influence of La on electronic structure of a-Al2O3 high k-gate from first principles
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| contributor author | محمد حسینی | en |
| contributor author | حسین اصغر رهنمای علی آباد | en |
| contributor author | احمد کمپانی | en |
| contributor author | Mohammad Hosseini | fa |
| contributor author | Hossein Asghar Rahnamaye Aliabad | fa |
| contributor author | Ahmad Kompany | fa |
| date accessioned | 2020-06-06T14:18:26Z | |
| date available | 2020-06-06T14:18:26Z | |
| date issued | 2005 | |
| identifier uri | http://libsearch.um.ac.ir:80/fum/handle/fum/3391042?locale-attribute=fa | |
| description abstract | Abstract The theoretical effects of La on electronic structure of Al2O3 high k-gate have been studied by first principles. The electronic properties of pure -Al2O3 and La aluminates (Al2-xaxO3, x = 0.50) were studied by using the density functional theory. The calculations were performed by the full potential-linearized augmented plane wave (FP-LAPW) method with the generalized gradient approximation (GGA). The calculated electronic structure and charge density yield a band gap of 6.4 eV for pure -Al2O3 (without empirical correction factor) at the point in the Brillouin zone, fairly close to experimental values. The substitution of La reduces the band gap to 3.6 eV for Al1.5La0.5O3. The calculated density of states (DOS) of -Al2O3 is in good agreement with recent experimental XPS and XES data. | en |
| language | English | |
| title | Influence of La on electronic structure of a-Al2O3 high k-gate from first principles | en |
| type | Journal Paper | |
| contenttype | External Fulltext | |
| subject keywords | Influence of La on electronic structure of a-Al2O3 high k-gate from first principles | en |
| journal title | Ceramics International | fa |
| pages | 671-675 | |
| journal volume | 0 | |
| journal issue | 31 | |
| identifier link | https://profdoc.um.ac.ir/paper-abstract-103072.html | |
| identifier articleid | 103072 |