An accurate determination of barrier heights at the HfO2/Si interfaces

被引:96
作者
Puthenkovilakam, R [1 ]
Chang, JP [1 ]
机构
[1] Univ Calif Los Angeles, Dept Chem Engn, Los Angeles, CA 90095 USA
关键词
D O I
10.1063/1.1778213
中图分类号
O59 [应用物理学];
学科分类号
摘要
X-ray photoelectron spectroscopy (XPS) combined with first principles simulations are used to investigate the band alignments of HfO2 on silicon. Our theoretical calculations predict dangling bond states originating from the partial occupancy of Hf d orbitals at a stoichiometric HfO2/Si interface. Our band structure calculations predict that hydrogen passivation of Hf atoms at the interface as well as increased oxygen concentration at the interface remove the dangling bond states effectively. A HfSiO4/Si interface also has no dangling bond states. Theoretically calculated valence band offsets of HfO2/Si interface ranged from 2.69 to 3.04 eV and the conduction band offsets ranged from 1.54 to 1.89 eV, and they are a function of the interface coordination numbers. For the HfSiO4/Si interface, the calculated valence and conduction band offsets are 2.69 eV and 2.19 eV, respectively. Experimentally measured band offsets by XPS yield a valence band offset of 3.10 eV and a conduction band offset of 1.48 eV for a HfO2/Si interface, in very good agreement with theoretical results. These results suggest that HfO2 and HfSiO4 provide sufficient tunneling barriers for electrons and holes, making them suitable candidates as alternative gate dielectrics. (C) 2004 American Institute of Physics.
引用
收藏
页码:2701 / 2707
页数:7
相关论文
共 38 条
[11]   PHOTOEMISSION SPECTROSCOPY USING SYNCHROTRON RADIATION .1. OVERVIEWS OF VALENCE-BAND STRUCTURE FOR GE, GAAS, GAP, INSB, ZNSE, CDTE, AND AGL [J].
EASTMAN, DE ;
GROBMAN, WD ;
FREEOUF, JL ;
ERBUDAK, M .
PHYSICAL REVIEW B, 1974, 9 (08) :3473-3488
[12]   Vacancy and interstitial defects in hafnia [J].
Foster, AS ;
Gejo, FL ;
Shluger, AL ;
Nieminen, RM .
PHYSICAL REVIEW B, 2002, 65 (17) :1741171-17411713
[13]   Heterojunction band offset engineering [J].
Franciosi, A ;
Van de Walle, CG .
SURFACE SCIENCE REPORTS, 1996, 25 (1-4) :1-+
[14]   INHOMOGENEOUS ELECTRON-GAS [J].
RAJAGOPAL, AK ;
CALLAWAY, J .
PHYSICAL REVIEW B, 1973, 7 (05) :1912-1919
[15]   Electron spin resonance study of interface defects in atomic layer deposited hafnium oxide on Si [J].
Kang, AY ;
Lenahan, PM ;
Conley, JF ;
Solanki, R .
APPLIED PHYSICS LETTERS, 2002, 81 (06) :1128-1130
[16]   SEMICONDUCTOR CORE-LEVEL TO VALENCE-BAND MAXIMUM BINDING-ENERGY DIFFERENCES - PRECISE DETERMINATION BY X-RAY PHOTOELECTRON-SPECTROSCOPY [J].
KRAUT, EA ;
GRANT, RW ;
WALDROP, JR ;
KOWALCZYK, SP .
PHYSICAL REVIEW B, 1983, 28 (04) :1965-1977
[17]   Dielectric property and thermal stability of HfO2 on silicon [J].
Lin, YS ;
Puthenkovilakam, R ;
Chang, JP .
APPLIED PHYSICS LETTERS, 2002, 81 (11) :2041-2043
[18]   ENERGY-GAP DISCONTINUITIES AND EFFECTIVE MASSES FOR GAAS-ALXGA1-XAS QUANTUM WELLS [J].
MILLER, RC ;
KLEINMAN, DA ;
GOSSARD, AC .
PHYSICAL REVIEW B, 1984, 29 (12) :7085-7087
[19]   THEORETICAL-STUDY OF X-RAY PHOTOELECTRON-SPECTRUM OF GERMANIUM VALENCE-ELECTRONS [J].
NEMOSHKALENKO, VV ;
ALESHIN, VG ;
KUCHERENKO, YN .
SOLID STATE COMMUNICATIONS, 1976, 20 (12) :1155-1157
[20]   Bonding, energies, and band offsets of Si-ZrO2 and HfO2 gate oxide interfaces -: art. no. 057601 [J].
Peacock, PW ;
Robertson, J .
PHYSICAL REVIEW LETTERS, 2004, 92 (05) :4