Dangling-bond logic gates on a Si(100)-(2 × 1)–H surface

Atomic-scale Boolean logic gates (LGs) with two inputs and one output (i.e. OR, NOR, AND, NAND) were designed on a Si(100)-(2 × 1)-H surface and connected to the macroscopic scale by metallic nano-pads physisorbed on the Si(100)-(2 × 1)-H surface. The logic inputs are provided by saturating and unsaturating two surface Si dangling bonds, which can, for example, be achieved by adding and extracting two hydrogen atoms per input. Quantum circuit design rules together with semi-empirical elastic-scattering quantum chemistry transport calculations were used to determine the output current intensity of the proposed switches and LGs when they are interconnected to the metallic nano-pads by surface atomic-scale wires. Our calculations demonstrate that the proposed devices can reach ON/OFF ratios of up to 2000 for a running current in the 10 µA range.

[1]  Christian Joachim,et al.  Logic gates and memory cells based on single C60 electromechanical transistors , 2001 .

[2]  C. Joachim,et al.  Manipulating molecular quantum states with classical metal atom inputs: demonstration of a single molecule NOR logic gate. , 2011, ACS nano.

[3]  Kelly,et al.  Theoretical study of the Si(100) surface reconstruction. , 1995, Physical review. B, Condensed matter.

[4]  G. Dujardin,et al.  Picometer-Scale Electronic Control of Molecular Dynamics Inside a Single Molecule , 2005, Science.

[5]  S. Datta.  Quantum Transport: Atom to Transistor , 2004 .

[6]  R. Hoffmann.  An Extended Hückel Theory. I. Hydrocarbons , 1963 .

[7]  Christian Joachim,et al.  Molecular ‘OR’ and ‘AND’ logic gates integrated in a single molecule , 2003 .

[8]  M. Kawai,et al.  Self-directed chain reaction by small ketones with the dangling bond site on the Si(100)-(2 x 1)-H surface: acetophenone, a unique example. , 2008, Journal of the American Chemical Society.

[9]  Edwin C. Kan,et al.  Electrical transport in a two-dimensional electron and hole gas on a Si(001)-(2 X 1) surface , 2008 .

[10]  G. P. Srivastava,et al.  Theoretical study of dangling-bond wires on the H-terminated Si surface , 2003 .

[11]  The contact conductance on a molecular wire , 2005 .

[12]  Direct transfer of gold nanoislands from a MoS2 stamp to a Si–H surface , 2010 .

[13]  Robert W. Keyes,et al.  The Future of Solid‐State Electronics , 1992 .

[14]  J. Gimzewski,et al.  Physical principles of the single- C 60 transistor effect , 1998 .

[15]  R. Landauer.  Spatial variation of currents and fields due to localized scatterers in metallic conduction , 1988 .

[16]  C. Joachim,et al.  Conductance of a finite missing hydrogen atomic line on Si(001)-(2×1)- H , 1999 .

[17]  Büttiker.  Role of quantum coherence in series resistors. , 1986, Physical review. B, Condensed matter.

[18]  K. Terabe,et al.  Quantized conductance atomic switch , 2005, Nature.

[19]  L. Oberbeck,et al.  Scanning tunneling microscope based fabrication of nano- and atomic scale dopant devices in silicon: The crucial step of hydrogen removal , 2007 .

[20]  C Joachim,et al.  Single OR molecule and OR atomic circuit logic gates interconnected on a Si(100)H surface. , 2011, Journal of physics. Condensed matter : an Institute of Physics journal.

[21]  John R. Tucker,et al.  Nanoscale patterning and oxidation of H‐passivated Si(100)‐2×1 surfaces with an ultrahigh vacuum scanning tunneling microscope , 1994 .

[22]  Mark S. Lundstrom.  Fundamentals of Carrier Transport, 2nd edn , 2002 .

[23]  M. Lutwyche,et al.  A proposal of nanoscale devices based on atom/molecule switching , 1993 .

[24]  Hassan Raza.  Theoretical study of isolated dangling bonds, dangling bond wires, and dangling bond clusters on a H : Si ( 001 ) − ( 2 × 1 ) surface , 2007 .

[25]  R. Wolkow,et al.  Direct observation of an increase in buckled dimers on Si(001) at low temperature. , 1992, Physical review letters.

[26]  C Joachim,et al.  Multiple atomic scale solid surface interconnects for atom circuits and molecule logic gates , 2010, Journal of physics. Condensed matter : an Institute of Physics journal.

[27]  L. Chaput,et al.  Electronic properties of the n -doped hydrogenated silicon (100) surface and dehydrogenated structures at 5 K , 2009 .

[28]  R. W. Keyes,et al.  Miniaturization of electronics and its limits , 1988, IBM J. Res. Dev..

[29]  John N. Randall,et al.  Atomic precision lithography on Si , 2009 .

[30]  Christian Joachim,et al.  Conductance of molecular wires connected or bonded in parallel , 1999 .

[31]  Sumio Hosaka,et al.  Fabrication of nanostructures using scanning probe microscopes , 1995 .

[32]  Joachim,et al.  Electronic transmission coefficient for the single-impurity problem in the scattering-matrix approach. , 1988, Physical review. B, Condensed matter.

[33]  C. Joachim,et al.  Origin of the apparent (2×1) topography of the Si(100)−c(4×2) surface observed in low-temperature STM images , 2011 .

[34]  Oguz Gulseren,et al.  Functionalized carbon nanotubes and device applications , 2004 .

[35]  C. Joachim,et al.  Direct observation of molecular orbitals of pentacene physisorbed on Au(111) by scanning tunneling microscope. , 2009, Physical review letters.

[36]  Gérald Dujardin,et al.  Atomic wire fabrication by STM induced hydrogen desorption , 2003 .

[37]  C. Joachim,et al.  The chemisorption of polyaromatic hydrocarbons on Si(1 0 0)H dangling bonds , 2008 .

[38]  C. Joachim,et al.  Conductance of a Single Conjugated Polymer as a Continuous Function of Its Length , 2009, Science.

[39]  C. Joachim,et al.  Balancing a four-branch–single-molecule nanoscale Wheatstone bridge , 2003 .

[40]  J. W. Precker,et al.  Experimental estimation of the band gap in silicon and germanium from the temperature–voltage curve of diode thermometers , 2002 .

[41]  Yukihito Kondo,et al.  Quantized conductance through individual rows of suspended gold atoms , 1998, Nature.

[42]  Claude E. Shannon,et al.  The synthesis of two-terminal switching circuits , 1949, Bell Syst. Tech. J..

[43]  Christian Joachim,et al.  CONDUCTANCE AND TRANSPARENCE OF LONG MOLECULAR WIRES , 1997 .

[44]  J. Mutus,et al.  Controlled coupling and occupation of silicon atomic quantum dots at room temperature. , 2008, Physical review letters.

[45]  Watanabe,et al.  Theoretical study of atomic and electronic structures of atomic wires on an H-terminated Si(100)2 x 1 surface. , 1996, Physical review. B, Condensed matter.

[46]  Webb,et al.  Observation of h/e Aharonov-Bohm oscillations in normal-metal rings. , 1985, Physical review letters.

[47]  M. Simmons.  Scanning probe spectroscopy: Probing dopants at the atomic level , 2008 .

[48]  D. Eigler,et al.  An atomic switch realized with the scanning tunnelling microscope , 1991, Nature.

[49]  J. Gimzewski,et al.  Electronics using hybrid-molecular and mono-molecular devices , 2000, Nature.