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Molecular Quantum-dot Cellular Automata (QCA): Beyond Transistors Craig S. Lent University of Notre Dame ND Collaborators: Greg Snider, Peter Kogge, Mike Niemier, Marya Lieberman, Thomas Fehlner, Alex Kandel, Alexei Orlov, Mo Liu,Yuhui Lu Supported by National Science Foundation Center for Nano Science and Technology Outline of presentation • Introduction and motivation • QCA paradigm • QCA implementations – – – – Metal-dot Semiconductor-dot Magnetic Molecular • Circuit and system architecture • Summary Center for Nano Science and Technology Goal: Electronics at the single-molecule scale Center for Nano Science and Technology The Dream of Molecular Transistors Why don’t we keep on shrinking transistors until they are each a single molecule? Center for Nano Science and Technology Dream molecular transistors V off V on I 1 nm low conductance state high conductance state fmax=1 THz Molecular densities: 1nm x 1nm Æ 1014/cm2 Center for Nano Science and Technology Transistors at molecular densities V Suppose in each clock cycle a single electron moves from power supply (1V) to ground. Power dissipation (Watts/cm2) Frequency (Hz) 1014 devices/cm2 1013 devices/cm2 1012 devices/cm2 1011 devices/cm2 1012 16,000,000 1,600,000 160,000 16,000 1011 1,600,000 160,000 16,000 1,600 1010 160,000 16,000 1,600 160 109 16,000 1600 160 16 108 1600 160 16 1.6 107 160 16 1.6 0.16 106 16 1.6 0.16 0.016 ITRS roadmap: 7nm gate length, 109 logic transistors/cm2 @ 3x1010 Hz for 2016 Center for Nano Science and Technology Center for Nano Science and Technology The Dream of Molecular Transistors Center for Nano Science and Technology New paradigm: Quantum-dot Cellular Automata Represent information with molecular charge configuration. Zuse’s paradigm 3• Binary 2• Current switch 3• charge configuration Revolutionary, not incremental, approach Beyond transistors – requires rethinking circuits and architectures Use molecules, not as current switches, but as structured charge containers. Center for Nano Science and Technology Quantum-dot cellular automata Represent binary information by charge configuration of cell. • QCA cell Dots localize charge • Two mobile charges • Tunneling between dots • Clock signal varies relative energies of “active” and “null” dots active “1” “0” “null” Clock need not separately contact each cell. Center for Nano Science and Technology Quantum-dot cellular automata Neighboring cells tend to align in the same state. “1” “null” Center for Nano Science and Technology Quantum-dot cellular automata Neighboring cells tend to align in the same state. “1” “1” Center for Nano Science and Technology Quantum-dot cellular automata Neighboring cells tend to align in the same state. “1” “1” This is the COPY operation. Center for Nano Science and Technology Clock: off Neighbor Polarization Cell Polarization Cell Polarization QCA cell-cell response function Clock: on Neighbor Polarization Center for Nano Science and Technology Majority Gate “0” “null” “1” “1” Center for Nano Science and Technology Majority Gate “0” “1” “1” “1” Center for Nano Science and Technology Majority Gate A B C “B” M “out” “A” “C” Three input majority gate can function as programmable 2-input AND/OR gate. Center for Nano Science and Technology QCA single-bit full adder result of SC-HF calculation with site model Hierarchical layout and design are possible. Simple-12 microprocessor (Kogge & Niemier) Center for Nano Science and Technology Outline of presentation • Introduction and motivation • QCA paradigm • QCA implementations – – – – Metal-dot Semiconductor-dot Magnetic Molecular • Circuit and system architecture • Summary Center for Nano Science and Technology QCA devices exist Metal-dot QCA implementation Al/AlOx on SiO2 electrometers 70-300 mK “dot” = metal island Greg Snider, Alexei Orlov, and Gary Bernstein Center for Nano Science and Technology Metal-dot QCA cells and devices • Majority Gate A B C M Amlani, A. Orlov, G. Toth, G. H. Bernstein, C. S. Lent, G. L. Snider, Science 284, pp. 289-291 (1999). Center for Nano Science and Technology QCA Shift Register Center for Nano Science and Technology QCA Shift Register D1 D4 Gtop V+ IN VCLK1 VIN– VCLK2 Gbot electrometers Center for Nano Science and Technology Metal-dot QCA devices exist • Single electron analogue of molecular QCA • Gates and circuits: – – – – – Wires Shift registers Fan-out Power gain demonstrated AND, OR, Majority gates • Work underway to raise operating temperatures Center for Nano Science and Technology Power Gain in QCA Cells • Power gain is crucial for practical devices because some energy is always lost between stages. • Lost energy must be replaced. – Conventional devices – current from power supply – QCA devices – from the clock • Unity power gain means replacing exactly as much energy as is lost to environment. Power gain > 3 has been measured in metal-dot QCA. Center for Nano Science and Technology GaAs-AlGaAs QCA cell • Dots defined by top gates depleting 2DEG • Direct measurement of cell switching Center for Nano Science and Technology Silicon P-dot QCA cell • Dots defined by implanted phosphorus • Single-donor creation foreseen • Direct measurement of cell switching Center for Nano Science and Technology Magnetic QCA • Dots defined by magnetic domains • Room temperature operation Center for Nano Science and Technology Molecular QCA Metal tunnel junctions “dot” = metal island 70 mK “dot” = redox center Mixed valence compounds room temperature+ Key strategy: use nonbonding orbitals (π or d) to act as dots. Center for Nano Science and Technology Experiments on molecular double-dot Thomas Fehlner et al. (Notre Dame chemistry group) Journal of American Chemical Society, 125:15250, 2003 Fe Fe Ru Ru “0” “1” trans-Ru-(dppm)2(C≡CFc)(NCCH2CH2NH2) dication Fe group and Ru group act as two unequal quantum dots. Center for Nano Science and Technology Surface attachment and orientation molecule N Si-N bonds Si 106o 3.8 Α 2.4 Α Si Si(111) PHENYL GROUPS “TOUCHING” SILICON “struts” Molecule is covalent bonded to Si and oriented vertically by “struts.” Center for Nano Science and Technology Measurement of molecular bistability layer of molecules Fe Ru Ru Fe 0.15 1.7 Ru C(oxidized) C(reduced) ∆C 1.6 Hg Hg 1.5 Hg Fe Fe Fe Ru Ru Ru Si ground state applied potential -0.05 1.3 Si 1.2 switching excited state 1.1 -0.10 -0.15 -0.20 1.0 voltage -1.5 -1.0 Fe When equalized, capacitance peaks. 2 counterion charge configurations on surface 0.05 0.00 1.4 Si 0.10 ∆C (nF) ac Capacitance Fe C (nF) Energy Applied field equalizes the energy of the two dots Ru -0.5 0.0 0.5 VHg (V) 1.0 -0.25 1.5 Fe Ru Center for Nano Science and Technology Longer molecular double-dot Isopotential surface HOMO orbital Center for Nano Science and Technology Double-dot click-clack COxidized Cas prepared ∆C 1.3 3+ H2N 0.0 1.1 -0.1 1.0 Hua & Fehlner Ph2 P P Ph2 dm=2.8 nm d1=1.8 nm Ph2 P Ru P N Ph2 Ph2 P P Ph2 NH2 0.9 -1.5 Ph2 P N Ru P Ph2 ∆C (nF) C (nF) 1.2 0.1 -0.2 -1.0 -0.5 0.0 0.5 1.0 1.5 VHg (V) Center for Nano Science and Technology Square 4-dot QCA molecules 0.6 nm Center for Nano Science and Technology Imaging molecular double-dot Kandel group structure toluene solution Goal: single-molecule imaging on surfaces Molecules are pulse-injected from solution into vacuum onto a clean, crystalline gold [Au(111)] surface. Ru-Ru molecule with no surface binding. Not mixed-valence species. Center for Nano Science and Technology Ru2 clustering Some clustering and alignment of molecules occurs automatically during deposition. (50 nm image shown.) We should be able to compare isolated molecules with those in larger clusters. Experimental 0.5and V, Technology 20 pA, 298 K Center forconditions: Nano Science Molecular motion Changing tunneling conditions (from 1.0 V, 20 pA to 1.0 V, 100 pA) increases tip/molecule interaction. We observe a change in orientation for one Ru2 molecule. This suggests the possibility of using the STM tip for controlled manipulation of these molecules on the surface. Experimental conditions: 250 ×180 Å, 1.0 V, 20 (100) pA, 298 K Center for Nano Science and Technology Imaging charge localization Neutral molecules Mixed-valence molecules Preliminary results for Fe-Fe fabricated by Claude Lapinte (Rennes) Center for Nano Science and Technology Single-atom quantum dots Center for Nano Science and Technology Outline of presentation • Introduction and motivation • QCA paradigm • QCA implementations – – – – Metal-dot Semiconductor-dot Magnetic Molecular • Circuit and system architecture • Summary Center for Nano Science and Technology Field-clocking of QCA wire: shift-register Center for Nano Science and Technology Computational wave: majority gate Center for Nano Science and Technology Computational wave: adder back-end Center for Nano Science and Technology Permuter Deep pipe-lining at very small scale Center for Nano Science and Technology Wider QCA wires Redundancy results in defect tolerance. Center for Nano Science and Technology Molecular circuits and clocking wires Next: zoom out to dataflow level Center for Nano Science and Technology Universal floorplan Peter Kogge Center for Nano Science and Technology QCA design tools QCADesigner Konrad Walus U. British Columbia Design tools are starting to enable new systems ideas. Center for Nano Science and Technology System + Application Architectures Mike Niemier Grounded in device physics & simulation Incorporate clock driven dataflow B A D C B A Device architecture maps well to many system architectures… Reconfigurable AND Plane Systolic General Purpose OR Plane BC AB AC A A’ B B’ C C’ AB + BC + AC Good for FIR, FT, Matrix multiply, graph algorithms, etc. Center for Nano Science and Technology Center for Nano Science and Technology Center for Nano Science and Technology Center for Nano Science and Technology Center for Nano Science and Technology Summary • QCA offers possible path to limits of downscaling – molecular computing. – General-purpose computing – New architecture – Low power dissipation which is essential • Single-electron metal-dot QCA devices exist. • First steps in molecular-scale QCA • Clear path but much research remains to be done. – Rethinking architecture to match problem – Chemistry, physics, electrical engineering, computer science Thanks for your attention. Center for Nano Science and Technology