O K-energy loss near-edge structure change induced by tantalum impurity in monoclinic hafnium oxide

Journal Article · Tue Mar 01 00:00:00 EST 2011 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.3553410· OSTI ID:21538147

Yang, Mino ^[1]; Baik, Hionsuck ^[2]; Ivanovskaya, Viktoria; Colliex, Christian ^[3]; Benayad, Anass ^[4]

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1. Analytical Engineering Group, Samsung Advanced Institute of Technology (SAIT), Samsung Electronics, Youngin-Si, Gyeonggi-Do, 446-712, Korea and School of Advanced Materials Science and Engineering SungKyunKwan University, Suwon 440-746 (Korea, Republic of)
2. Korea Basic Science Institute (KBSI), Seoul 136-713 (Korea, Republic of)
3. Laboratoire de Physique des Solides, University Paris-Sud, UMR-CNRS 8502 91405, Orsay (France)
4. Analytical Engineering Group, Samsung Advanced Institute of Technology (SAIT), Samsung Electronics, Youngin-Si, Gyeonggi-Do 446-712 (Korea, Republic of)

The present paper reports the energy loss near-edge structure (ELNES) study of monoclinic HfO{sub 2} (m-HfO{sub 2}) and tantalum doped m-HfO{sub 2} (Ta{sub 0.1}Hf{sub 0.9}O{sub 2}) thin films prepared by radio frequency magnetron co-sputtering method. A change in the O K-ELNES spectra was observed as the amount of dopant increases. In order to precise the common features and the differences as a function of Ta defect nature (substitutional or interstitial) in HfO{sub 2}, the O K-ELNES were commented with respect to density functional theory calculations implemented in Vienna ab initio simulation package code. The calculated Ta doped HfO{sub 2} band structure showed that substitutional tantalum is the dominant defect and the spectral differences between doped and non-doped HfO{sub 2} are mainly originated from the change in the local cation distribution around the oxygen atoms.

• OSTI ID: 21538147
• Journal Information: Journal of Applied Physics, Vol. 109, Issue 5; Other Information: DOI: 10.1063/1.3553410; (c) 2011 American Institute of Physics; ISSN 0021-8979
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
36 MATERIALS SCIENCE
CRYSTAL DEFECTS
DENSITY FUNCTIONAL METHOD
DEPOSITION
DISTRIBUTION
DOPED MATERIALS
ENERGY LOSSES
ENERGY-LOSS SPECTROSCOPY
HAFNIUM OXIDES
IMPURITIES
INTERSTITIALS
MAGNETRONS
MONOCLINIC LATTICES
OXYGEN
RADIOWAVE RADIATION
SEMICONDUCTOR MATERIALS
SIMULATION
SPECTRA
TANTALUM ADDITIONS
THIN FILMS
ALLOYS
CALCULATION METHODS
CHALCOGENIDES
CRYSTAL LATTICES
CRYSTAL STRUCTURE
ELECTROMAGNETIC RADIATION
ELECTRON SPECTROSCOPY
ELECTRON TUBES
ELECTRONIC EQUIPMENT
ELEMENTS
EQUIPMENT
FILMS
HAFNIUM COMPOUNDS
LOSSES
MATERIALS
MICROWAVE EQUIPMENT
MICROWAVE TUBES
NONMETALS
OXIDES
OXYGEN COMPOUNDS
POINT DEFECTS
RADIATIONS
REFRACTORY METAL COMPOUNDS
SPECTROSCOPY
TANTALUM ALLOYS
TRANSITION ELEMENT ALLOYS
TRANSITION ELEMENT COMPOUNDS
VARIATIONAL METHODS