Architecture and Design of Molecule Logic Gates and Atom Circuits: Proceedings of the 2nd AtMol European Workshop PDF
Preview Architecture and Design of Molecule Logic Gates and Atom Circuits: Proceedings of the 2nd AtMol European Workshop
Advances in Atom and Single Molecule Machines SeriesEditor ChristianJoachim EditorialBoard L.Grill F.Jelezko D.Martrou T.Nakayama G.Rapenne F.Remacle K.Ohmori Forfurthervolumes: http://www.springer.com/series/10425 • Nicolas Lorente Christian Joachim (cid:2) Editors Architecture and Design of Molecule Logic Gates and Atom Circuits Proceedings of the 2nd AtMol European Workshop 123 Editors NicolasLorente ChristianJoachim CIN2(CSIC-ICN) GNS(CEMES-CNRS) Bellaterra,Spain RueJeanneMarvig ToulousseCedex France ISSN2193-9691 ISSN2193-9705(electronic) ISBN978-3-642-33136-7 ISBN978-3-642-33137-4(eBook) DOI10.1007/978-3-642-33137-4 SpringerHeidelbergNewYorkDordrechtLondon LibraryofCongressControlNumber:2012954938 ©Springer-VerlagBerlinHeidelberg2013 Thisworkissubjecttocopyright.AllrightsarereservedbythePublisher,whetherthewholeorpartof thematerialisconcerned,specificallytherightsoftranslation,reprinting,reuseofillustrations,recitation, broadcasting,reproductiononmicrofilmsorinanyotherphysicalway,andtransmissionorinformation storageandretrieval,electronicadaptation,computersoftware,orbysimilarordissimilarmethodology nowknownorhereafterdeveloped.Exemptedfromthislegalreservationarebriefexcerptsinconnection with reviews or scholarly analysis or material supplied specifically for the purpose of being entered and executed on a computer system, for exclusive use by the purchaser of the work. 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Printedonacid-freepaper SpringerispartofSpringerScience+BusinessMedia(www.springer.com) Preface ThisbookencompassescontributionsofthesecondAtMolWorkshopinBarcelona, January 2012. AtMol is a research project fully supported by the European Commission’sICT-FETprogramme.AtMolwaslaunchedon1stJanuary2011for durationof4years,withtheobjectivetoconstructthefirstevercompletemolecular chip. A molecular chip is a small nanomachine where common microelectronic functionalities are brought and encapsulated at the atomic scale. The core of a molecular chip will make use of the extraordinary properties of molecule(s) and surface atomic wire(s), both regardingtheir chemical and quantumelectronic characteristics that should be of practical use and appealing to future information technologies (ITs) manufacturing. The IT technology is approaching the atomic scale and many reports on molecular devices have filled the literature in the last decade. Hence, it was time to look at the field from the broad perspective of the different possible architectures for a molecular system to perform at least an elementaryBooleanlogicfunctionattheatomicscale.Thisistheaimofthepresent bookanditscorrespondingoriginatingworkshop.Inordertosteerdiscussionsand gatherthe mainideasandchallengesarisingin molecular-basedITs,the bookhas beendividedintofivesections,eachsectioncontainingcontributionsfromdifferent groupsworldwide. Design issues are dealt within three sections of the book. These range from extension of known hybrid molecular-electronics strategies, which correspond to Molecular Devices for Classical Logic, from designs based on intramolecular quantum behaviour in a section entitled Quantum Controlled Logic Gates and a sectiononthe nowadaysstandardMolecularQubits.Thedesignofthe molecular- chipcoreisnottheonlychallengetobefacedbyfutureITtechnologiesbutalsothe interfaceof the molecular-chipcore with the macroscopicworld. These interfaces will necessarily have to match the atom scale with the macroscopic one. In this booktwosectionshavebeendevotedtothestudyofthecircuitsthatshouldconnect and interconnect the active molecule logic gates. The first section builds on the gatheredknow-howonmoleculardevices,presentinghowmolecule(s)themselves can be used as circuits that interconnectand do the interfacing. A second section onSurfaceDanglingBondCircuitspresentsappealingnewdesignstoconnectthe v vi Preface atomic world with the macroscopicone using stable solid surfaceswhere atomic- sizewireshavebeenconstructedthroughmodifyingelectronicstateswithanatomic precision. The topics reported in this book have immense potential for future IT as recognizedattheEuropeanCommissionlevel.WearehappytothanktheICT-FET programmeandA*STARof Singaporeforthefinancialsupportin organizingthis secondworkshopandSpringerVerlaganditsstaffmembersforthepublicationof thisbook.Wearesurethatthisbookwillbecomeareferentandanimportantstep towardstherealizationofatomic-andmolecular-basedtechnologies. Fortheorganizingcommittee Nicola´sLorente Contents ArchitectureattheEndofMoore.............................................. 1 StefanosKaxiras PartI MolecularDevicesforClassicalLogic TowardsPost-CMOSMolecularLogicDevices............................... 13 RoyHakim,Elad.D.Mentovich,andShacharRichter Quantum Interference Effects in Electron Transport: How to Select Suitable Molecules forLogicGatesandThermoelectricDevices.................................. 25 RobertStadler MappingElectronTransportPathwaysinComplexSystems............... 41 GemmaC.Solomon SwitchingMechanismsforSingle-MoleculeLogicGates.................... 55 C.Toher,F.Moresco,andG.Cuniberti PTMRadicalsforMolecular-BasedElectronicDevices ..................... 71 Nu´ria Crivillers, Marta Mas-Torrent, Cla´udia Sima˜o, Markos Paradinas, Carmen Munuera, Carmen Ocal, Stefan T. Bromley, Concepcio´ Rovira, andJaumeVeciana VibrationalHeatinginSingle-MoleculeSwitches ............................ 87 ThomasBrumme,RafaelGutie´rrez,andGianaurelioCuniberti HeatDissipationinMolecularJunctions:LinkingMoleculesto MacroscopicContacts ........................................................... 97 AlessandroPecchia vii viii Contents PartII Molecule-Circuits ClassicalLogicinaSingleMolecule ........................................... 109 MohamedHliwaandChristianJoachim Modeling and Simulation of Electron Transport at the Nanoscale:IllustrationsinLow-DimensionalCarbonNanostructures.... 123 VincentMeunier,EduardoCostaGira˜o,andBobbyG.Sumpter PartIII SurfaceDanglingBondCircuits First-Principles Simulations of Electronic Transport in Dangling-BondWires............................................................ 137 M.Kepenekian,R.Robles,andN.Lorente Dangling-BondLogic:DesigningBooleanLogicGatesona Si(001)-(2x1):HSurface ......................................................... 149 HiroyoKawai,FranciscoAmple,ChristianJoachim,andMark Saeys Dangling-BondWireCircuitsonaSi(001)-(2x1):HSurface withTheirContactingNanopads............................................... 163 FranciscoAmple,HiroyoKawai,KianSoonYong,MarkSaeys, KuanEngJohnsonGoh,andChristianJoachim TheoryofInelasticTransportThroughAtomicSurfaceWires............. 175 SergeMonturetandChristianJoachim PartIV QuantumControlledLogicGates SingleMoleculeCanCalculate1,000TimesFasterthan Supercomputers.................................................................. 189 KenjiOhmori RealizationofComplexLogicOperationsattheNanoscale................. 195 R.D.LevineandF.Remacle BinaryFull-AdderinaSingleQuantumSystem............................. 221 N.RenaudandC.Joachim PartV MolecularQubits AControlledQuantumSWAPLogicGateina4-centerMetal Complex........................................................................... 237 MohamedHliwa,JacquesBonvoisin,andChristianJoachim Contents ix ArtificialMolecularNanomagnetsasSpin-BasedQuantum LogicGates ....................................................................... 249 FernandoLuis,OlivierRoubeau,andGuillemArom´ı TowardaMolecularIonQubit................................................. 267 J.Mur-Petit,J.Pe´rez-R´ıos,J.Campos-Mart´ınez,M.I.Herna´ndez, S.Willitsch,andJ.J.Garc´ıa-Ripoll ImplementingQuantumGatesandAlgorithmsinUltracold PolarMolecules................................................................... 279 S. Vranckx,A. Jaouadi,P. Pellegrini,L. Bomble,N. Vaeck, andM.Desouter-Lecomte Architecture at the End of Moore StefanosKaxiras Abstract Computer architecture in recent years shifted focus from performance to powerefficiency(a combinedmetric or performanceandenergyconsumption). For decades architects translated Moore’s law into performance, but we are now close to hitting two major “walls”: The first is the “power wall,” or our inability to significantly reducepower consumption(and more importantlypowerdensity). The power wall is likely to lead us to a “dark silicon” future where the majority ofthetransistorsonachipwillhavetobeturnedoffbecauseofpowerconstraints. The second is the “memory wall.” Because, fundamentally, our current memory technology can be fast or vast, but not both at the same time, we have to rely on a complex memory hierarchy which, nevertheless, has significant limitations. In addition to power and performance, architects also worry about reliability. As we scale to very small feature sizes, devices become increasingly unreliable. A new trend that is emerging, however, is to embrace unreliability rather than fight it. This chapter discusses the challenges computer architects are facing today and the possible connections at the architectural level with novel devices that are in development. 1 Introduction While for manyyears, architects have been very successful in exploitingMoore’s law to provide exponential performance increases, we are now facing a power consumptionproblem.Compoundedbythe“memorywall”problem,theexponen- tially growingdiscrepancybetween logic and memoryspeed, and complicated by increasingly unreliable devices, as we scale the technology node towards 10nm, S.Kaxiras UppsalaUniversity,Biskopsgatan375310Uppsala,Sweden e-mail:[email protected] N.LorenteandC.Joachim(eds.),ArchitectureandDesignofMoleculeLogicGates 1 andAtomCircuits,AdvancesinAtomandSingleMoleculeMachines, DOI10.1007/978-3-642-33137-4 1,©Springer-VerlagBerlinHeidelberg2013
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