Probing Topological Properties of Bloch Bands with Ultracold Atoms in a Honeycomb Optical Lattice

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Probing topological properties of Bloch bands with ultracold atoms in a honeycomb optical lattice Lucia Duca M¨unchen,2015 Probing topological properties of Bloch bands with ultracold atoms in a honeycomb optical lattice Lucia Duca Dissertation an der Fakult¨atf¨urPhysik der Ludwig{Maximilians{Universit¨at M¨unchen vorgelegt von Lucia Duca aus Ancona, Italien M¨unchen, Juli 2015 Erstgutachter: Prof. Dr. Immanuel Bloch Zweitgutachter: Prof. Dr. Wilhelm Zwerger Tag der m¨undlichen Pr¨ufung:18 September 2015 Zusammenfassung Vor ¨uber 30 Jahren beschrieb Berry die Effekte, die durch die geometrische Struk- tur des Hilbertraums auf die adiabatische Bewegung quantenmechanischer Systeme wirken. Seit dem hat das Konzept der geometrischen Phasen, die mit der adia- batischen Bewegung verbunden werden sogenannten Berry-Phasen in einer grossen Anzahl physikalischer Systeme Anwendung gefunden. In der Festk¨orperphysik sind analoge topologische Eigenschaften von B¨andernf¨ureine Vielzahl von Vielteilch- eneffekten verantwortlich, zum Beispiel f¨urden ganzzahligen Quanten-Hall-Effekt und die Existenz robuster leitender Randzust¨andein topologischen Isolatoren. Die Berry-Kr¨ummung, jener Parameter der die Geometrie der Eigenzust¨andeder B¨ander beschreibt, ist von fundamentaler Bedeutung f¨urdie Charakterisierung physikalis- cher Eigenschaften von Elektronenzust¨andenin der Festk¨orperphysik und bestimmt die topologische Invariante eines Bandes, die sogenannte Chern-Zahl. Obwohl die Berry-Phase und die Berry-Kr¨ummung eine zentrale Rolle in der Bestimmung topol- ogischer Eigenschaften von B¨andernspielen, bleibt die Messung der kompletten ge- ometrischen Struktur eines Bandes eine grosse experimentelle Herausforderung. Diese Arbeit berichtet ¨uber die experimentelle Realisierung eines hexagonalen optischen Gitters f¨urultrakalte Atome, dessen Eigenschaften denen von Graphen ¨ahneln. Diese Gitterstruktur besitzt eigenartige topologische Merkmale, die mit den konischen Schnittpunkten zweier B¨ander,den sogenannten Dirac-Punkten, in Verbindung stehen. Die topologischen Eigenschaften eines Bloch-Bandes mani- festieren sich, wenn ein Teilchen adiabatisch in einem geschlossenen Kreis im Im- pulsraum um einen solchen konischen Schnittpunkt zweier B¨anderdes Energiespek- trums bewegt wird. Analog zum Aharonov-Bohm-Effekt, bei dem ein Elektron durch die Bewegung um eine Zylinderspule einen Phasenversatz erh¨alt,erh¨altein Teilchen bei dieser Bewegung eine geometrische Phase. Diese Arbeit pr¨asentiert eine inter- ferometrische Technik zur Detektion der topologischen Eigenschaften dieser Kegel sowie der Verteilung der Berry-Kr¨ummung im reziproken Raum mit einer hohen Quasiimpulsaufl¨osung. Im ersten Teil dieser Arbeit werden das hexagonale Gitter sowie der experimentelle Aufbau zum Erzeugen eines Gases ultrakalter Atome erl¨autert. Dann wird analog zum Aharonov-Bohm-Effekt ein interferometrisches Protokoll f¨urultrakalte Atome im reziproken Raum entwickelt, mit dem die mit den Dirac-Kegeln assoziierte ge- ometrische Phase detektiert werden kann. Diese interferometrische Technik kom- biniert die Bewegung der Atome im Band mit Spin-Echo-Interferometrie und erlaubt die Charakterisierung topologischer Eigenschaften des untersten Bandes im optis- chen Gitter durch Bestimmung der r¨aumlichen Verteilung der Berry-Kr¨ummung eines einzelnen Dirac-Kegels. Der detektierte, scharfe Phasensprung von π und die starke Reduktion des Interferenzkontrasts am Dirac-Kegel demonstrieren die nicht- triviale Verwindung der Bandeigenzust¨andeund die starke Lokalisierung der Berry- Kr¨ummung an den Kegeln. Des Weiteren wird die Interferometrie dazu genutzt die Bewegung im reziproken Raum und die Annihilation der topologischen Eigen- schaften durch ein unausgeglichenes Gitter zu detektieren. Das beobachtete Ver- schwinden der π Berry-Phase demonstriert den ¨ubergang zu einer topologisch triv- ialen Bandstruktur. Der letzte Abschnitt dieser Arbeit pr¨asentiert vorl¨aufigeErgebnisse zur Interfer- ometrie in den untersten beiden B¨anderndes Gitters. Die St¨uckelberg-Interferometrie, realisiert durch die diabatische Bewegung der Atome im reziproken Raum, wird dazu genutzt, die Dispersion der B¨anderzu bestimmen und die Symmetrie der Bandeigen- zust¨andezu erforschen. Erweiterungen dieser Arbeit w¨urdendie Charakterisierung topologischer Invarianten von Mehrbandsystemen erlauben, wie zum Beispiel die Z2 invariant of the quantum spin Hall effect. Invariante des Quanten-Spin-Hall-Effekts. Die Ergebnisse, die in dieser Arbeit pr¨asentiert werden, demonstrieren die nicht- triviale Verwindung der Bandeigenzust¨andeum die Dirac-Kegel eines optischen Bienenwabengitters f¨urultrakalte Atome. Durch den hohen Grad an Kontrolle ¨uber die Gitterparameter eignet sich das System um topologische Eigenschaften von Energieb¨andernin einer gut kontrollierten Umgebung zu erforschen. Die bei- den pr¨asentierten interferometrischen Techniken stellen m¨ogliche Wege zur Rekon- struktion der lokalen topologischen Eigenschaften und dadurch der topologischen Invarianten eines optischen 2D-Gitters dar. Abstract More than thirty years ago, Berry delineated the effects of the geometric structure of Hilbert space on the adiabatic evolution of quantum mechanical systems. Since then, the concept of geometrical phases { the Berry phases { associated with adiabatic evolution has been applied to a large variety of physical systems. In condensed matter, analogous topological properties of the energy bands are responsible for a wide range of many-body phenomena, such as the integer quantum Hall effect and the existence of robust conducting edge states in topological insulators. The Berry curvature, the parameter which describes the geometry of the band eigenstates, is of fundamental importance to the characterization of the physical properties of electronic states in condensed matter systems and it determines the topological invariant of a band, the Chern number. Despite the central role of Berry phases and Berry curvature, fully mapping out the geometric structure of an energy band remains a major challenge for experiments. This thesis reports on the experimental realization of a honeycomb optical lattice for ultracold atoms which has properties similar to those of solid state graphene. This lattice structure presents peculiar topological features associated with conical intersections of energy bands, the Dirac cones. The topological properties of a Bloch band can manifest themselves when a particle is adiabatically moved in a closed loop in reciprocal space around one of the conical intersection of bands present in the energy spectrum. By doing so, the particle acquires a geometric phase which is analogous to the phase shift experienced by electrons moving around a solenoid, the well known Aharonov-Bohm effect. This thesis presents an interferometric technique to detect the topological properties of such cones and to probe the distribution of Berry curvature in reciprocal space with high quasimomentum resolution. The first part of this thesis introduces the honeycomb optical lattice and the experimental setup for cooling ultracold atoms. Then, an interferometric protocol for ultracold atoms, analog of the Aharonov-Bohm effect in reciprocal space, is developed to detect the geometric phase associated with the Dirac cones. The interferometric technique combines the motion of atoms in the band with spin-echo interferometry and it allows the topological properties of the lowest band of the optical lattice to be characterized by probing the localization of the Berry curvature of an individual Dirac cone. The detected sharp phase jump to π and the strong reduction in interference contrast at the Dirac cones demonstrate the winding of the band eigenstates and the strong localization of the Berry curvature at the cones. Moreover, the interferometry is used to detect the movement in reciprocal space and the annihilation of the topological features upon lattice imbalance. The observed disappearance of the π Berry phase confirms the transition to a topologically trivial band structure. The last part of this thesis presents preliminary results concerning interferometry in the two lowest bands of the lattice. The St¨uckelberg interferometry, realized by diabatic motion of atoms in reciprocal space, is used to map the dispersion of the bands and to probe the symmetry of the band eigenstates. Extensions of this work would allow the characterization of topological invariants of multi-band systems, like the Z2 invariant of the quantum spin Hall effect. The results reported in this thesis demonstrate the non-trivial winding of the band eigenstates around the Dirac cones of an optical honeycomb lattice for ultra- cold atoms. The high degree of control over the lattice parameters makes the system suitable for investigating topological properties of energy bands in a well controlled environment. The two interferometric techniques presented constitute possible ap- proaches for reconstructing the local topological properties of a 2D optical lattice and, thereby, of its topological invariant. Contents 1. Introduction1 2. Topological properties of Bloch bands7 2.1. Introduction on geometrical properties.................7 2.2. Manifestations of topology in quantum mechanical systems......9 2.2.1. Geometric phase factors related to cyclic adiabatic transport.9 2.3. Geometric phases in Bloch bands.................... 12 2.3.1. Single particle in a periodic potential.............. 12 2.3.2. Topological properties of a single band............. 13 2.3.3.
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  • Maximally Localized Wannier Functions: Theory and Applications

    Maximally Localized Wannier Functions: Theory and Applications

    REVIEWS OF MODERN PHYSICS, VOLUME 84, OCTOBER–DECEMBER 2012 Maximally localized Wannier functions: Theory and applications Nicola Marzari Theory and Simulation of Materials (THEOS), E´ cole Polytechnique Fe´de´rale de Lausanne, Station 12, 1015 Lausanne, Switzerland Arash A. Mostofi Departments of Materials and Physics, and the Thomas Young Centre for Theory and Simulation of Materials, Imperial College London, London SW7 2AZ, United Kingdom Jonathan R. Yates Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH, United Kingdom Ivo Souza Centro de Fı´sica de Materiales (CSIC) and DIPC, Universidad del Paı´s Vasco, 20018 San Sebastia´n, Spain and Ikerbasque Foundation, 48011 Bilbao, Spain David Vanderbilt Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08854-8019, USA (published 10 October 2012) The electronic ground state of a periodic system is usually described in terms of extended Bloch orbitals, but an alternative representation in terms of localized ‘‘Wannier functions’’ was introduced by Gregory Wannier in 1937. The connection between the Bloch and Wannier representations is realized by families of transformations in a continuous space of unitary matrices, carrying a large degree of arbitrariness. Since 1997, methods have been developed that allow one to iteratively transform the extended Bloch orbitals of a first-principles calculation into a unique set of maximally localized Wannier functions, accomplishing the solid-state equivalent of constructing localized molecular orbitals, or ‘‘Boys orbitals’’ as previously known from the chemistry literature. These developments are reviewed here, and a survey of the applications of these methods is presented. This latter includes a description of their use in analyzing the nature of chemical bonding, or as a local probe of phenomena related to electric polarization and orbital magnetization.