TITLE

Comparative study of defect energetics in HfO[sub 2] and SiO[sub 2]

AUTHOR(S)
Scopel, W.L.; da Silva, Antônio J.R.; Orellana, W.; Fazzio, A.
PUB. DATE
March 2004
SOURCE
Applied Physics Letters;3/1/2004, Vol. 84 Issue 9, p1492
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
We perform ab initio calculations, based on density functional theory, for substitutional and vacancy defects in the monoclinic hafnium oxide (m-HfO[sub 2]) and α-quartz (SiO[sub 2]). The neutral oxygen vacancies and substitutional Si and Hf defects in HfO[sub 2] and SiO[sub 2], respectively, are investigated. Our calculations show that, for a large range of Hf chemical potential, Si substitutional defects are most likely to form in HfO[sub 2], leading to the formation of a silicate layer at the HfO[sub 2]/Si interface. We also find that it is energetically more favorable to form oxygen vacancies in SiO[sub 2] than in HfO[sub 2], which implies that oxygen-deficient HfO[sub 2] grown on top of SiO[sub 2] will consume oxygen from the SiO[sub 2]. © 2004 American Institute of Physics.
ACCESSION #
12360970

 

Related Articles

  • Formation of substoichiometric GeOx at the Ge-HfO2 interface. Broqvist, Peter; Binder, Jan Felix; Pasquarello, Alfredo // Applied Physics Letters;11/15/2010, Vol. 97 Issue 20, p202908 

    The stability of oxygen vacancies across the Ge-HfO2 interface is studied through semilocal and hybrid density-functional calculations. On the semiconductor side, the formation energies are obtained for substoichiometric GeOx of varying x through the use of a bond-energy model. On the hafnium...

  • Defects responsible for the Fermi level pinning in n+ poly-Si/HfO2 gate stacks. Ryu, Byungki; Chang, K. J. // Applied Physics Letters;12/13/2010, Vol. 97 Issue 24, p242910 

    Based on density functional calculations, we propose a defect model that can explain flat band voltage shifts, especially in n+ poly-Si/HfO2 gate stacks. For two interface structures, with Si electrodes on top of crystalline and amorphous HfO2, we find the formation of O-vacancies at the...

  • First principles investigation of scaling trends of zirconium silicate interface band offsets. Kawamoto, Atsushi; Cho, Kyeongjae; Griffin, Peter; Dutton, Robert // Journal of Applied Physics;8/1/2001, Vol. 90 Issue 3 

    First principles density functional theory calculations are carried out to investigate the scaling trends of band offsets at model silicon/zirconium silicate interfaces. Owing to the d character of zirconium silicate conduction bands, the band gap and band offset are shown to decrease as the...

  • Effect of nitrogen containing plasmas on interface stability of hafnium oxide ultrathin films on Si(100). Chen, P.; Bhandari, H. B.; Klein, T. M. // Applied Physics Letters;8/30/2004, Vol. 85 Issue 9, p1574 

    Hafnium oxide dielectric thin films were deposited by metalorganic chemical vapor deposition with Hf (IV) t-butoxide and either an O2, N2, or N2O plasma in a 1:1 ratio with helium. Films approximately 5 nm thick were analyzed using angle-resolved x-ray photoelectron spectroscopy (XPS) and...

  • Control of silicidation in HfO2/Si(100) interfaces. Cho, Deok-Yong; Park, Kee-Shik; Choi, B.-H.; Oh, S.-J.; Chang, Y. J.; Kim, D. H.; Noh, T. W.; Jung, Ranju; Lee, Jae-Cheol; Bu, S. D. // Applied Physics Letters;1/24/2005, Vol. 86 Issue 4, p041913 

    The interfacial states of the HfO2 thin film grown on the Si(100) substrate by the pulsed laser deposition method is investigated in situ using x-ray photoelectron spectroscopy. They are found to depend on the HfO2 film thickness, oxygen pressure during the pulsed laser deposition growth, and...

  • Influence of the substrate orientation on the electrical and material properties of GaAs metal-oxide-semiconductor capacitors and self-aligned transistors using HfO2 and silicon interface passivation layer. Ok, InJo; Kim, H.; Zhang, M.; Zhu, F.; Park, S.; Yum, J.; Zhao, H.; Garcia, Domingo; Majhi, Prashant; Lee, Jack C. // Applied Physics Letters;5/19/2008, Vol. 92 Issue 20, p202908 

    In this work, we studied the effects of postdeposition anneal (PDA) time and Si interface passivation layer on the material and electrical characteristics of the metal-oxide-semiconductor (MOS) capacitor with high-k (HfO2) material on different orientation substrates with (100), (110), and...

  • Effective work function tunability and interfacial reactions with underlying HfO2 layer of plasma-enhanced atomic layer deposited TaCxNy films. Park, Tae Joo; Kim, Jeong Hwan; Jang, Jae Hyuck; Na, Kwang Duk; Hwang, Cheol Seong; Kim, Gee-Man; Choi, Kang Jun; Jeong, Jae Hak // Applied Physics Letters;5/19/2008, Vol. 92 Issue 20, p202902 

    This study examined the interfacial reaction of plasma-enhanced atomic layer deposited TaCxNy films with underlying SiO2 and HfO2 layers, as well as their effective work functions (EWFs). The adoption of Ar/H2 plasma as a reducing agent suppressed the interfacial reactions resulting in a lower...

  • Silicon/HfO2 Interface: Effects of Proton Irradiation. Maurya, Savita; Radhakrishna, M. // AIP Conference Proceedings;2015, Vol. 1665, p1 

    Substrate oxide interfaces are of paramount importance in deciding the quality of the semiconductor devices. In this work we have studied how 200 keV proton irradiation affects the interface of a 13 nm thick, atomic layer deposited hafnium dioxide on silicon substrate. Pre- and post-irradiation...

  • Formation of interfacial layer during reactive sputtering of hafnium oxide. Tsui, Bing-Yue; Chang, Hsiu-Wei // Journal of Applied Physics;6/15/2003, Vol. 93 Issue 12, p10119 

    Hafnium oxide is one of the most promising high dielectric constant materials to replace silicon dioxide as the gate dielectric. To take the advantages of high dielectric constant of HfO[SUB2] thoroughly, the relatively low dielectric constant interfacial layer must be controlled carefully. In...

Share

Read the Article

Courtesy of THE LIBRARY OF VIRGINIA

Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics