Identification of structural phases in ferroelectric hafnium zirconium oxide by density-functional-theory-assisted EXAFS analysis

2021 ◽  
Vol 118 (9) ◽  
pp. 092903
Author(s):  
Mehmet Alper Sahiner ◽  
Rory J. Vander Valk ◽  
Joshua Steier ◽  
Jared Savastano ◽  
Stephen Kelty ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Zirconium Oxide ◽  
Density Functional ◽  
Functional Theory ◽  
Exafs Analysis

scholarly journals Hafnium-Zirconium Oxide Interface Models with Semiconductor and Metal for Ferroelectric Devices

2021 ◽  
Author(s):  
Kisung Chae ◽  
Andrew C Kummel ◽  
Kyeongjae Cho
Keyword(s):  
Density Functional Theory ◽  
Zirconium Oxide ◽  
Density Functional ◽  
Oxide Interface ◽  
Functional Theory ◽  
Metal Insulator ◽  
Metal Insulator Semiconductor ◽  
Metal Insulator Metal ◽  
Mis Structures

Density functional theory (DFT) is employed to investigate ferroelectric (FE) hafnium-zirconium oxide stack models for both metal-insulator-metal (MIM) and metal-insulator-semiconductor (MIS) structures. The role of dielectric (DE) interlayers at the...

Doping effects on the geometric and electronic structure of tin clusters

2019 ◽  
Vol 21 (44) ◽  
pp. 24478-24488 ◽  
Author(s):  
Martin Gleditzsch ◽  
Marc Jäger ◽  
Lukáš F. Pašteka ◽  
Armin Shayeghi ◽  
Rolf Schäfer
Keyword(s):  
Density Functional Theory ◽  
Electronic Structure ◽  
Density Functional ◽  
Beam Deflection ◽  
Functional Theory ◽  
Doping Effects ◽  
Depth Analysis ◽  
Trajectory Simulations

In depth analysis of doping effects on the geometric and electronic structure of tin clusters via electric beam deflection, numerical trajectory simulations and density functional theory.

What correlation effects are covered by density functional theory?

2000 ◽  
Vol 98 (20) ◽  
pp. 1639-1658 ◽  
Author(s):  
Yuan He, Jurgen Grafenstein, Elfi Kraka,
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Correlation Effects ◽  
Functional Theory
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