Defects responsible for the Fermi level pinning in n+ poly-Si/HfO2 gate stacks

作者: Byungki Ryu , K. J. Chang

DOI: 10.1063/1.3527929

关键词: Amorphous solidCondensed matter physicsQuasi Fermi levelFermi levelDensity functional theoryElectrodeSiliconDimerOxideMaterials science

摘要: 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 top of crystalline and amorphous HfO2, find the formation O-vacancies at interface, which exhibit weak Si–Si dimer bonds low energies, very different from those oxide. Due to bonds, charge trap levels lie near conduction edge, leading Fermi level pinning shifts poly-Si electrodes.

参考文章(25)
Eric Bersch, Sylvie Rangan, Robert Allen Bartynski, Eric Garfunkel, Elio Vescovo, Band offsets of ultrathin high-κoxide films with Si Physical Review B. ,vol. 78, pp. 085114- ,(2008) , 10.1103/PHYSREVB.78.085114
G. Kresse, D. Joubert, From ultrasoft pseudopotentials to the projector augmented-wave method Physical Review B. ,vol. 59, pp. 1758- 1775 ,(1999) , 10.1103/PHYSREVB.59.1758
Blair R. Tuttle, Chunguang Tang, R. Ramprasad, First-principles study of the valence band offset between silicon and hafnia Physical Review B. ,vol. 75, pp. 235324- ,(2007) , 10.1103/PHYSREVB.75.235324
Audrius Alkauskas, Peter Broqvist, Fabien Devynck, Alfredo Pasquarello, Band offsets at semiconductor-oxide interfaces from hybrid density-functional calculations Physical Review Letters. ,vol. 101, pp. 106802- ,(2008) , 10.1103/PHYSREVLETT.101.106802
Joongoo Kang, Yong-Hoon Kim, Junhyeok Bang, K. J. Chang, Direct and defect-assisted electron tunneling through ultrathinSiO2layers from first principles Physical Review B. ,vol. 77, pp. 195321- ,(2008) , 10.1103/PHYSREVB.77.195321
Aliaksandr V. Krukau, Oleg A. Vydrov, Artur F. Izmaylov, Gustavo E. Scuseria, Influence of the exchange screening parameter on the performance of screened hybrid functionals. Journal of Chemical Physics. ,vol. 125, pp. 224106- 224106 ,(2006) , 10.1063/1.2404663
V. V. Afanas’ev, A. Stesmans, F. Chen, X. Shi, S. A. Campbell, Internal photoemission of electrons and holes from (100)Si into HfO2 Applied Physics Letters. ,vol. 81, pp. 1053- 1055 ,(2002) , 10.1063/1.1495088
Chris G. Van de Walle, Richard M. Martin, Theoretical study of band offsets at semiconductor interfaces Physical Review B. ,vol. 35, pp. 8154- 8165 ,(1987) , 10.1103/PHYSREVB.35.8154
C. Tang, R. Ramprasad, Oxygen defect accumulation at Si:HfO2 interfaces Applied Physics Letters. ,vol. 92, pp. 182908- ,(2008) , 10.1063/1.2917576