Berlin 2015 – wissenschaftliches Programm

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HL: Fachverband Halbleiterphysik

HL 42: Devices

HL 42.2: Vortrag

Mittwoch, 18. März 2015, 09:45–10:00, EW 015

Charge transition levels of oxygen, lanthanum and fluorine related defect structures in bulk hafniumdioxide (HfO2): an ab initio investigation. — •Roman Leitsmann¹, Florian Lazarevic¹, Rolf Öttking², Ebrahim Nadimi³, and Philipp Plänitz¹ — ¹AQcomputare GmbH, 09125 Chemnitz, Germany — ²Institute of Physics, Illmenau University of Technology, 98693 Illmenau, Germany — ³K. N. Toosi University of Technology, Faculty of Computer and Electrical Engineering, 14317-14191 Tehran, Iran

Intrinsic defect structures and impurity atoms are one of the main source of leakage current in metal-oxide-semiconductor devices. Using state of the art density functional theory we have investigated oxygen, lanthanum, and fluorine related defect structures and possible combinations of them. In particular we have calculated their charge transition levels in bulk m-HfO2. The obtained results are able to explain the experimentally observed reduction of the trap density after NF3 treatment [1].

[1] M. Drescher et al., J. Vac. Sci. Technol. accepted (2014).