Migration of oxygen vacancy in HfO2 and across the HfO2/SiO2 interface:: A first-principles investigation

被引：133
作者：
Capron, Nathalie
Broqvist, Peter
Pasquarello, Alfredo
机构：
[1] Univ Paris 06, F-75005 Paris, France
[2] Lab Chim Phys Mat & Rayonnement, F-75231 Paris 05, France
[3] Ecole Polytech Fed Lausanne, Inst Theoret Phys, CH-1015 Lausanne, Switzerland
[4] PHB Ecublens, IRRMA, CH-1015 Lausanne, Switzerland
来源：
APPLIED PHYSICS LETTERS | 2007年 / 91卷 / 19期
关键词：
D O I：
10.1063/1.2807282
中图分类号：
O59 [应用物理学];
学科分类号：
摘要：
Oxygen vacancy migration is studied in monoclinic HfO2 and across its interface with SiO2 through density functional calculations. In HfO2, long-range diffusion shows activation barriers of 2.4 and 0.7 eV for the neutral and doubly positively charged vacancy, respectively. In the latter case, the migration preferentially occurs along one-dimensional pathways. A HfO2/SiO2 interface model is constructed to address O vacancy migration across high-kappa gate stacks. The vacancy is shown to stabilize in its neutral charge state upon entering the SiO2 layer.
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页数：3
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共 27 条
  • [1] Interfacial layer-induced mobility degradation in high-k transistors
    Bersuker, G
    Barnett, J
    Moumen, N
    Foran, B
    Young, CD
    Lysaght, P
    Peterson, J
    Lee, BH
    Zeitzoff, PM
    Huff, HR
    [J]. JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS, 2004, 43 (11B): : 7899 - 7902
  • [2] BROQVIST P, UNPUB
  • [3] First principles investigation of defects at interfaces between silicon and amorphous high-κ oxides
    Broqvist, Peter
    Pasquarello, Alfredo
    [J]. MICROELECTRONIC ENGINEERING, 2007, 84 (9-10) : 2022 - 2027
  • [4] Oxygen vacancy in monoclinic HfO2:: A consistent interpretation of trap assisted conduction, direct electron injection, and optical absorption experiments
    Broqvist, Peter
    Pasquarello, Alfredo
    [J]. APPLIED PHYSICS LETTERS, 2006, 89 (26)
  • [5] Cartier E, 2005, 2005 SYMPOSIUM ON VLSI TECHNOLOGY, DIGEST OF TECHNICAL PAPERS, P230
  • [6] Role of oxygen vacancy in HfO2/SiO2/Si(100) interfaces
    Cho, Deok-Yong
    Oh, S. -J.
    Chang, Y. J.
    Noh, T. W.
    Jung, Ranju
    Lee, Jae-Cheol
    [J]. APPLIED PHYSICS LETTERS, 2006, 88 (19)
  • [7] Decomposition of interfacial SiO2 during HfO2 deposition
    Copel, M
    Reuter, MC
    [J]. APPLIED PHYSICS LETTERS, 2003, 83 (16) : 3398 - 3400
  • [8] Vacancy and interstitial defects in hafnia
    Foster, AS
    Gejo, FL
    Shluger, AL
    Nieminen, RM
    [J]. PHYSICAL REVIEW B, 2002, 65 (17) : 1741171 - 17411713
  • [9] Negative oxygen vacancies in HfO2 as charge traps in high-k stacks
    Gavartin, J. L.
    Ramo, D. Munoz
    Shluger, A. L.
    Bersuker, G.
    Lee, B. H.
    [J]. APPLIED PHYSICS LETTERS, 2006, 89 (08)
  • [10] Oxygen vacancies in high dielectric constant oxide-semiconductor films
    Guha, Supratik
    Narayanan, Vijay
    [J]. PHYSICAL REVIEW LETTERS, 2007, 98 (19)
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