Segregation of oxygen vacancy at metal-HfO2 interfaces

被引：56

作者：

Cho, Eunae ^{[1
]}

Lee, Bora ^{[1
]}

Lee, Choong-Ki ^{[1
]}

Han, Seungwu ^{[1
]}

Jeon, Sang Ho ^{[2
]}

Park, Bae Ho ^{[2
]}

Kim, Yong-Sung ^{[3
]}

机构：

[1] Ewha Womans Univ, Dept Phys, Seoul 120750, South Korea

[2] Konkuk Univ, Dept Phys, Seoul 143091, South Korea

[3] Korea Res Inst Stand & Sci, Taejon 305340, South Korea

来源：

APPLIED PHYSICS LETTERS | 2008年 / 92卷 / 23期

关键词：

D O I：

10.1063/1.2943322

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

We perform first-principles calculations on metal-HfO2 interfaces in the presence of oxygen vacancies. Pt, Al, Ti, and Ag are considered as electrodes. It is found that oxygen vacancies are strongly attracted to the interface with binding energies of up to several eVs. In addition, the vacancy affinity of interfaces is proportional to the work function of metals, which is understood by the transition level of the vacancy and metal-Hf bonding. Interfacial segregation of vacancies significantly affects effective work functions of p metals. Our results are consistent with flatband shifts in p-type field effect transistors employing high-k dielectrics and metal gates. (c) 2008 American Institute of Physics.

引用

页数：3

共 19 条

[1] Modified oxygen vacancy induced Fermi level pinning model extendable to p-metal pinning [J].

Akasaka, Yasushi ;

Nakamura, Genji ;

Shiraish, Kenji ;

Umezawa, Naoto ;

Yamabe, Kikuo ;

Ogawa, Osamu ;

Lee, Myoungbum ;

Amiaka, Toshio ;

Kasuya, Tooru ;

Watanabe, Heiji ;

Chikyow, Toyohiro ;

Ootsuka, Fumio ;

Nara, Yasuo ;

Nakamura, Kunio .

JAPANESE JOURNAL OF APPLIED PHYSICS PART 2-LETTERS & EXPRESS LETTERS, 2006, 45 (46-50) :L1289-L1292

[2] PROJECTOR AUGMENTED-WAVE METHOD [J].

BLOCHL, PE .

PHYSICAL REVIEW B, 1994, 50 (24) :17953-17979

[3] GROUND-STATE OF THE ELECTRON-GAS BY A STOCHASTIC METHOD [J].

CEPERLEY, DM ;

ALDER, BJ .

PHYSICAL REVIEW LETTERS, 1980, 45 (07) :566-569

[4] THE ENERGIES OF POINT-DEFECTS NEAR METAL-OXIDE INTERFACES [J].

DUFFY, DM ;

HARDING, JH ;

STONEHAM, AM .

JOURNAL OF APPLIED PHYSICS, 1994, 76 (05) :2791-2798

[5] Vacancy and interstitial defects in hafnia [J].

Foster, AS ;

Gejo, FL ;

Shluger, AL ;

Nieminen, RM .

PHYSICAL REVIEW B, 2002, 65 (17) :1741171-17411713

[6] Oxidation of the Pt/HfO2 interface:: The role of the oxygen chemical potential [J].

Gavrikov, A. V. ;

Knizhnik, A. A. ;

Bagatur'yants, A. A. ;

Potapkin, B. V. ;

Fonseca, L. R. C. ;

Stoker, M. W. ;

Schaeffer, J. .

JOURNAL OF APPLIED PHYSICS, 2007, 101 (01)

[7] Oxygen vacancies in high dielectric constant oxide-semiconductor films [J].

Guha, Supratik ;

Narayanan, Vijay .

PHYSICAL REVIEW LETTERS, 2007, 98 (19)

[8] Advanced high-κ dielectric stacks with polySi and metal gates:: Recent progress and current challenges [J].

Gusev, E. P. ;

Narayanan, V. ;

Frank, M. M. .

IBM JOURNAL OF RESEARCH AND DEVELOPMENT, 2006, 50 (4-5) :387-410

[9] First-principles modeling of resistance switching in perovskite oxide material [J].

Jeon, Sang Ho ;

Park, Bae Ho ;

Lee, Jaichan ;

Lee, Bora ;

Han, Seungwu .

APPLIED PHYSICS LETTERS, 2006, 89 (04)

[10] AB-INITIO MOLECULAR-DYNAMICS SIMULATION OF THE LIQUID-METAL AMORPHOUS-SEMICONDUCTOR TRANSITION IN GERMANIUM [J].

KRESSE, G ;

HAFNER, J .

PHYSICAL REVIEW B, 1994, 49 (20) :14251-14269

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