Atomic structure, electronic structure, and band offsets at Ge:GeO:GeO2 interfaces

The band gaps of GeO2 and GeO are calculated to be 6.1 and 4.0 eV, respectively, using hybrid density functionals that do not require band gap corrections. The conduction band offsets for Ge:GeO2 and Ge:GeO interfaces are calculated to be 0.8 and 0.4 eV, respectively, relatively small and similar to those found by photoemission. The atomic structure of solid GeO is found to have threefold coordinated Ge and O sites with planar oxygen sites.

[1]  K. Nagashio,et al.  Desorption kinetics of GeO from GeO2/Ge structure , 2010 .

[2]  Influence of the oxidizing species on the Ge dangling bonds at the (100)Ge/GeO2 interface , 2010 .

[3]  C. Merckling,et al.  High FET Performance for a Future CMOS $\hbox{GeO}_{2}$ -Based Technology , 2010, IEEE Electron Device Letters.

[4]  Paul C. McIntyre,et al.  Bilayer metal oxide gate insulators for scaled Ge-channel metal-oxide-semiconductor devices , 2010 .

[5]  P. Broqvist,et al.  Atomistic model structure of the Ge(100)-GeO2 interface , 2009 .

[6]  A. Stesmans,et al.  Nontrigonal Ge dangling bond interface defect in condensation-grown (100)Si1―xGex/SiO2 , 2009 .

[7]  A. Pasquarello,et al.  Band offsets at the Ge/GeO2 interface through hybrid density functionals , 2009 .

[8]  Jisheng Pan,et al.  Impact of oxide defects on band offset at GeO2/Ge interface , 2009 .

[9]  G. Pourtois,et al.  Ge dangling bonds at the (100)Ge/GeO2 interface and the viscoelastic properties of GeO2 , 2008 .

[10]  J. Lüning,et al.  Elimination of GeO2 and Ge3N4 interfacial transition regions and defects at n-type Ge interfaces: A pathway for formation of n-MOS devices on Ge substrates , 2008 .

[11]  A. Stesmans,et al.  Electronic structure of GeO2-passivated interfaces of (100)Ge with Al2O3 and HfO2 , 2008 .

[12]  Y. Kamata,et al.  High-k/Ge MOSFETs for future nanoelectronics , 2008 .

[13]  J. R. Weber,et al.  Dangling-bond defects and hydrogen passivation in germanium , 2007 .

[14]  M. Perego,et al.  Fabrication of GeO2 layers using a divalent Ge precursor , 2007 .

[15]  Shinichi Takagi,et al.  Device structures and carrier transport properties of advanced CMOS using high mobility channels , 2007 .

[16]  J. Hartmann,et al.  Band offsets of HfO2∕GeON∕Ge stacks measured by ultraviolet and soft x-ray photoelectron spectroscopies , 2007 .

[17]  E. K. Evangelou,et al.  Fermi-level pinning and charge neutrality level in germanium , 2006 .

[18]  J. Paier,et al.  Screened hybrid density functionals applied to solids. , 2006, The Journal of chemical physics.

[19]  H. Nakagawa,et al.  Photoemission Study of Ultrathin GeO2/Ge Heterostructures Formed by UV-O3 Oxidation , 2006 .

[20]  K. Saraswat,et al.  Chemical states and electronic structure of a HfO(-2) / Ge(001) interface , 2005 .

[21]  A. Stesmans,et al.  Energy band alignment at the (100)Ge/HfO2 interface , 2004 .

[22]  G. Scuseria,et al.  Hybrid functionals based on a screened Coulomb potential , 2003 .

[23]  D. Donadio,et al.  Ab initio simulations of photoinduced interconversions of oxygen deficient centers in amorphous silica. , 2001, Physical review letters.

[24]  Tu,et al.  Structure and energetics of the Si- SiO2 interface , 1999, Physical review letters.

[25]  L. Skuja.  Optically active oxygen-deficiency-related centers in amorphous silicon dioxide , 1998 .

[26]  Car,et al.  Si 2p core-level shifts at the Si(001)-SiO2 interface: A first-principles study. , 1995, Physical review letters.

[27]  Abe,et al.  Nature and origin of the 5-eV band in SiO2:GeO2 glasses. , 1992, Physical review. B, Condensed matter.

[28]  Chu Ax,et al.  Theory of oxide defects near the Si-SiO2 interface. , 1990 .

[29]  Abbas Ourmazd,et al.  Si-->SiO 2 transformation: Interfacial structure and mechanism , 1987 .

[30]  P. Littlewood.  The crystal structure of IV-VI compounds. I. Classification and description , 1980 .

[31]  A. Bloch,et al.  Quantum-Defect Electronegativity Scale for Nontransition Elements , 1974 .

[32]  M. Pourbaix.  Atlas of Electrochemical Equilibria in Aqueous Solutions , 1974 .

[33]  A. Bloch,et al.  Pauli-Force Model Potential for Solids , 1973 .

[34]  H. Böhm.  On the photoconductivity of vitreous GeO2 , 1972 .

[35]  A. J. Cohen,et al.  Ultraviolet and infrared absorption of fused Germania , 1958 .