DOCSLIB.ORG

Electronic States of Heavy Fermion Metals in High Magnetic Fields

Total Page：16

File Type：pdf, Size：1020Kb

Download full-text PDF Read full-text
Electronic States of Heavy Fermion Metals in High Magnetic Fields Electronic States of Heavy Fermion Metals in High Magnetic Fields by Patrick M. C. Rourke A thesis submitted in conformity with the requirements for the degree of Doctor of Philosophy Graduate Department of Physics University of Toronto Copyright c 2009 by Patrick M. C. Rourke Abstract Electronic States of Heavy Fermion Metals in High Magnetic Fields Patrick M. C. Rourke Doctor of Philosophy Graduate Department of Physics University of Toronto 2009 Heavy fermion metals often exhibit novel electronic states at low temperatures, due to competing interactions and energy scales. In order to characterize these states, precise determination of material electronic properties, such as the Fermi surface topology, is necessary. Magnetic field is a particularly powerful tool, since it can be used as both a tuning parameter and probe of the fundamental physics of heavy fermion compounds. In CePb , I measured magnetoresistance and torque for 23 mK T 400 mK, 0 T 3 ≤ ≤ ≤ H 18 T, and magnetic field rotated between the (100), (110), and (111) directions. ≤ For H (111), my magnetoresistance results show a decreasing Fermi liquid temperature || range near H , and a T 2 coefficient that diverges as A(H) H H −α, with H 6 T c ∝ | − c| c ∼ and α 1. The torque exhibits a complicated dependence on magnetic field strength ∼ and angle. By comparison to numerical spin models, I find that the “spin-flop” scenario previously thought to describe the physics of CePb3 does not provide a good explanation of the experimental results. Using novel data acquisition software that exceeds the capabilities of a traditional measurement set-up, I measured de Haas–van Alphen oscillations in YbRh Si for 30 mK 2 2 ≤ T 600 mK, 8 T H 16 T, and magnetic field rotated between the (100), (110), and ≤ ≤ ≤ (001) directions. The measured frequencies smoothly increase as the field is decreased through H 10 T. I compared my measurements to 4f-itinerant and 4f-localized elec- 0 ≈ tronic structure calculations, using a new algorithm for extracting quantum oscillation ii information from calculated band energies, and conclude that the Yb 4f quasi-hole re- mains itinerant over the entire measured field range, with the behaviour at H0 caused by a Fermi surface Lifshitz transition. My measurements are the first to directly track the Fermi surface of YbRh2Si2 across this field range, and rule out the 4f localization transition/crossover that was previously proposed to occur at H0. iii Dedication This thesis is dedicated to my grandfather, Professor Emeritus E. G. Bertram, who is a great inspiration to me as a scientist. iv Acknowledgements First and foremost, I would like to express my gratitude to my supervisor, Stephen Julian, for patiently sharing with me his deep, intuitive understanding of complicated physical phenomena, finding new research opportunities when our dilution refrigerator was broken, and putting forth a heroic effort to read this thesis and give me feedback within my very short time constraints. I would also like to thank our post-doc, Alix McCollam, for her tireless efforts to further the cause of our research group, and my fellow graduate students, Wenlong Wu, Fazel Tafti, Aaron Sutton, Cyrus Turel, Patrick Morales, and Igor Fridman, for making my time in the McLennan Physical Laboratories more enjoyable. I have benefited greatly from interesting discussions with John Wei and Hae-Young Kee at the University of Toronto, Mike Norman at Argonne National Laboratory, Andriy Nevidomskyy at Rutgers University, Suchitra Sebastian at the University of Cambridge, Johnpierre Paglione at the University of Maryland, Makariy Tanatar at Ames Laboratory, and Ramzy Daou at the Universit´ede Sherbrooke, regarding wider physical concepts related to my work. My appreciation also to Gerard Lapertot, Georg Knebel and Jacques Flouquet at CEA Grenoble, and Suchitra Sebastian at the University of Cambridge, for the extremely pure YbRh2Si2 and CePb3 samples, and Krystyna Biel and Marianne Khurana for cheerfully guiding me through the University of Toronto administrative jungle. Finally, I would like to thank the Hart House Orchestra, Looks Linear, and the Monday Night Jam Band for providing balance in my life and sharing the joy of music; and Robin Gallagher, my parents, my grandfather, and the rest of my family and friends for their unwavering support, both emotional and nutritional, without which this would not have been possible. v Contents 1 Introduction 1 1.1 Fermiliquidtheory .............................. 5 1.2 Quantumcriticality.............................. 7 1.3 Heavyfermions ................................ 10 1.4 Densityfunctionaltheory. 12 1.5 ThedeHaas–vanAlpheneffect . 17 1.5.1 Quantum oscillations at T =0.................... 18 1.5.2 Damping factors and other complications . 22 1.5.3 The field modulation measurement technique . 29 2 Instrumentation 35 2.1 Data Acquisition Virtual Instrument Experiment System . 36 2.1.1 Hardware ............................... 38 2.1.2 TheDataSocketprotocol. 41 2.1.3 Errorhandling ............................ 43 2.1.4 Temperaturecontrol . 46 2.1.5 Magneticfieldcontrol. 49 2.1.6 Samplerotationcontrol . 53 2.1.7 Dataacquisition............................ 55 2.1.8 Automation .............................. 60 vi 2.1.9 Monitoring .............................. 62 2.1.10 Testresultsanddiscussion . 64 2.2 Graphiterotationmechanism . 66 2.3 Silverannealing................................ 68 2.4 Glovebox ................................... 71 3 Supercell K-space Extremal Area Finder 76 3.1 Basic concepts of Fermiology . 77 3.1.1 Comparisontobandstructure . 79 3.2 Algorithmdetails ............................... 79 3.2.1 Overview ............................... 79 3.2.2 k-spacesupercellconstruction. 81 3.2.3 Fermisurfaceorbitdetection. 84 3.2.4 dHvA frequency, effective mass, and orbit type calculations.... 87 3.2.5 Slice-to-slice orbit matching . 88 3.2.6 Extremumdetermination. 89 3.2.7 Density of states calculation . 89 3.3 Testresults .................................. 90 3.4 CeCoIn5 results................................ 92 4 UPt3 99 4.1 Materialbackground ............................. 99 4.2 Theoretical models of the Fermi surface . 104 4.3 Discussion................................... 107 5 CePb3 118 5.1 Materialbackground ............................. 118 5.2 Experimentaldetails ............................. 123 5.3 Experimentalresults ............................. 129 vii 5.4 Discussion................................... 136 6 YbRh2Si2 147 6.1 Materialbackground ............................. 147 6.2 Electronicstructurecalculations . 152 6.3 Experimentaldetails ............................. 155 6.4 Experimentalresults ............................. 168 6.5 Discussion................................... 177 7 Conclusions 181 7.1 Instrumentation................................ 181 7.2 SupercellK-spaceExtremalAreaFinder . 182 7.3 UPt3 ...................................... 182 7.4 CePb3 ..................................... 183 7.5 YbRh2Si2 ................................... 184 7.6 ListofPublications.............................. 186 Bibliography 188 viii List of Tables 3.1 Measured and calculated CeCoIn5 dHvA frequencies . 95 3.2 Calculated band masses, measured effective masses, and resulting mass enhancements in CeCoIn5 .......................... 96 3.3 CeCoIn5 specificheatestimates .. .. ... .. .. .. .. .. ... .. 97 4.1 Comparison of UPt3 band labelling schemes . 105 4.2 Description of the UPt3 orbits in the fully itinerant model . 107 6.1 Calculated and measured YbRh2Si2 effective masses . 172 6.2 YbRh2Si2 specificheatestimates . 174 ix List of Figures 1.1 Generic quantum critical phase diagram . ... 8 1.2 Self-consistent density functional theory algorithm . ......... 15 1.3 Landau tubes intersecting a spherical Fermi surface . ...... 19 1.4 Temperature dependence of RT ....................... 24 1.5 dHvA frequency back-projection illustration . ...... 28 1.6 Set-up of a traditional field modulation dHvA experiment . ........ 31 1.7 Bessel function Jν(λ) for several values of ν ................ 33 2.1 Overview of the Data Acquisition Virtual Instrument Experiment System (DAVIES)................................... 37 2.2 Diagram of the DAVIES temperature control subsystem . 46 2.3 Diagram of the DAVIES magnetic field control subsystem . 49 2.4 Diagram of the DAVIES sample rotation control subsystem . 54 2.5 Diagram of the DAVIES data acquisition subsystem . 56 2.6 Diagram of the DAVIES automation subsystem . 61 2.7 Diagram of the DAVIES monitoring subsystem . 62 2.8 DAVIES virtual lock-in vs. SR830 lock-in amplifier test results...... 65 2.9 Graphiterotationmechanism . 67 2.10 Silver heat-sink wire annealing apparatus . ....... 69 2.11 Gloveboxgashandlingsystem . 72 x 3.1 The band 2 Fermi surface of UPt3, tiled in several Brillouin zones . 78 3.2 AnexampleSKEAFsupercell. 82 3.3 SKEAFalgorithmflowchart. 85 3.4 SKEAFexampleslice............................. 86 3.5 dHvA frequency vs. magnetic field angle for test Fermi surfaces ..... 91 3.6 CeCoIn5 crystalstructure .......................... 93 3.7 CeCoIn5 Fermisurface ............................ 94 4.1 UPt3 crystalstructure ............................ 101 4.2 UPt3 Fermi surface sheets generated from the fully itinerant model . 103 4.3 Major UPt3 Fermi surface sheets generated from the partially localized model ..................................... 106 4.4 Predicted angle dependence of UPt3 dHvA frequencies in the fully itinerant model ..................................... 108 4.5 Predicted angle dependence of UPt3
Load more

Recommended publications
  • 1 Density Functionals for Non-Relativistic Coulomb Systems in the New Century
    1 Density Functionals for Non-relativistic Coulomb Systems in the New Century John P. Perdew∗ and Stefan Kurth† ∗ Department of Physics and Quantum Theory Group, Tulane University, New Orleans LA 70118, USA [email protected] † Institut f¨ur Theoretische Physik, Freie Universit¨at Berlin, Arnimallee 14, 14195 Berlin, Germany [email protected] John Perdew 1.1 Introduction 1.1.1 Quantum Mechanical Many-Electron Problem The material world of everyday experience, as studied by chemistry and con- densed-matter physics, is built up from electrons and a few (or at most a few hundred) kinds of nuclei . The basic interaction is electrostatic or Coulom- bic: An electron at position r is attracted to a nucleus of charge Z at R by the potential energy −Z/|r − R|, a pair of electrons at r and r repel one another by the potential energy 1/|r − r|, and two nuclei at R and R repel one another as ZZ/|R − R|. The electrons must be described by quantum mechanics, while the more massive nuclei can sometimes be regarded as clas- sical particles. All of the electrons in the lighter elements, and the chemically important valence electrons in most elements, move at speeds much less than the speed of light, and so are non-relativistic. In essence, that is the simple story of practically everything. But there is still a long path from these general principles to theoretical prediction of the structures and properties of atoms, molecules, and solids, and eventually to the design of new chemicals or materials.
    [Show full text]
  • ERIC BORGUET Department of Chemistry Phone: (215) 204-9696 130 Beury Hall Temple University [email protected] 1901 N
    ERIC BORGUET Department of Chemistry Phone: (215) 204-9696 130 Beury Hall Temple University [email protected] 1901 N. 13th Street Philadelphia, Pennsylvania 19122 www.sites.temple.edu/borguet orcid.org/0000-0003-0593-952X Academic Appointments Professor of Chemistry, Temple University 2007-present Associate Professor of Chemistry, Temple University 2004-2007 Assistant Professor of Chemistry, University of Pittsburgh 1996-2004 Research Interests Nanotechnology and Nanoscale Processes at Interfaces, Plasmonics, Nonlinear Optics, Ultrafast Dynamics, Environmental Chemistry, Nanomaterials, Scanning Probe Microscopy, Sensors for Biological and Chemical Agents Education Post-doctoral Research Fellow, Columbia University, New York 1993-1996 “Nonlinear Optical Studies of Spectroscopy and Dynamics at Liquid Interfaces” Advisor: Professor Kenneth Eisenthal Ph.D., University of Pennsylvania, Philadelphia, Pennsylvania 1993 “Spectroscopic Study of Adsorption and Intermolecular Interactions on Stepped Metal Surfaces” Advisor: Professor Hai-Lung Dai B.Sc. (Maîtrise de Chimie-Physique), Université de Paris-Sud (XI-Orsay), France 1986 Honors and Awards Morino Lectureship, Japan 2019-2020 Honorary Visiting Professor, Indian Institute of Technology-Bombay, India 2019-2020 Fulbright Specialist Roster 2018-2021 Visiting Professor, Université Paul Sabatier, Toulouse, France 2013 Temple University CST Dean’s Distinguished Excellence in Mentoring Award 2012 Visiting Professor, Hokkaido University, Japan 2012 American Physical Society, Fellow 2010 Adjunct
    [Show full text]
  • Tulane Physicist Receives Top Honors for Theories on “Nature's Glue”
    EXPERIMENTAL PROGRAM TO STIMULATE COMPETITIVE RESEARCH VOL.8 NO.8 MAY 2011 Tulane physicist receives top honors for theories on “nature’s glue” Tulane University physics Professor John P. Perdew was elected to the National Academy of Sciences (NAS) in May 2011 for his key role in the development of density functional theory (DFT). Dr. Perdew joins the NAS ranks with LSU physicist Dr. Ward Plummer, who was elected in 2006, and 2,100 other distinguished scientists, many of which are Nobel Prize winners. Drs. Perdew and Plummer are members of the Louisiana Alliance 1 2 3 for Simulation-Guided Materials Applications (LA-SiGMA), funded by NSF EPSCoR. The NAS was established by President Abraham Lincoln to recognize leading scientists in all fields and to provide science advice through reports to the Federal government. New members are chosen by member vote and being 4 5 elected to the NAS is one of the highest Photo by Paula Burch-Celentano, Tulane University honors for a scientist or engineer. The April 2009 issue of the American Chemical Society’s Journal of Chemical Theory and Computation (JCTC) was dedicated to Dr. John Perdew to honor The NAS election citation says, his career and contributions toward the development of density functional “Perdew has led the effort to put a theory. Dr. Perdew is one of LA EPSCoR’s lead investigators in the NSF- sound mathematical and physical funded materials science research alliance, LA-SiGMA. foundation under the conceptual particles that repel one another. as advances in computer hardware ideas of
    [Show full text]
  • A Primer in Density Functional Theory
    C. Fiolhais F. Nogueira M. Marques (Eds.) APrimerinDensity Functional Theory 13 Editors Carlos Fiolhais Miguel A. L. Marques Departamento de F´ısica, Donostia International Physics Center Universidade de Coimbra, (DIPC), Rua Larga, P. Manuel Lardizabal´ 4, 3004 -- 516, Coimbra, Portugal 20080 San Sebastian,´ Spain Fernando Nogueira Departamento de F´ısica, Universidade de Coimbra, Rua Larga, 3004 -- 516, Coimbra, Portugal Cataloging-in-Publication Data applied for A catalog record for this book is available from the Library of Congress. Bibliographic information published by Die Deutsche Bibliothek Die Deutsche Bibliothek lists this publication in the Deutsche Nationalbibliografie; detailed bibliographic data is available in the Internet at http://dnb.ddb.de ISSN 0075-8450 ISBN 3-540-03082-2 Springer-Verlag Berlin Heidelberg New York This work is subject to copyright. All rights are reserved, whether the whole or part of the material is concerned, specifically the rights of translation, reprinting, reuse of illustra- tions, recitation, broadcasting, reproduction on microfilm or in any other way, and storage in data banks. Duplication of this publication or parts thereof is permitted only under the provisions of the German Copyright Law of September 9, 1965, in its current version, and permission for use must always be obtained from Springer-Verlag. Violations are liable for prosecution under the German Copyright Law. Springer-Verlag Berlin Heidelberg New York a member of BertelsmannSpringer Science+Business Media GmbH http://www.springer.de c Springer-Verlag Berlin Heidelberg 2003 Printed in Germany The use of general descriptive names, registered names, trademarks, etc. in this publication does not imply, even in the absence of a specific statement, that such names are exempt from the relevant protective laws and regulations and therefore free for general use.
    [Show full text]
  • Psi-K Science Meeting Proposal Application Form for 2017 Events
    Psi-k Science Meeting Proposal Application Form for 2017 Events Event Title: Frontiers of Electronic-Structure Theory: New Concepts and Developments in Density Functional Theory and Beyond Symposium at the DPG (German Physics Society) Spring Meeting Primary contact name Matthias Scheffler Primary contact email [email protected]; [email protected] Location of meeting Dresden Dates of meeting Mar 19, 2017 - Mar 24, 2017 Proposed budget (€’s) 0,- We only ask for psi-k endorsement Organizers: John P. Perdew Temple University, Philadelphia, Pennsylvania, USA Angel Rubio Max Planck Institute for the Structure and Dynamics of Matter, Hamburg, Germany Matthias Scheffler Fritz Haber Institute of the Max Planck Society (FHI), Berlin, Germany 1. Scientific summary and Abstract Abstract Density functional theory (DFT) has made an unmatched contribution on providing first-principles atomistic insights to chemistry, condensed matter physics, materials science, and many other fields. The symposium will cover the recent progress in DFT by inviting well-known international experts as well as young researchers who have already significantly contributed to the field. Scientific Summary Most commonly used density functional approximations (DFAs) suffer from some well-known failures, including the incapability to correctly describe charge transfer processes, weak dispersion interactions, and strongly interacting scenarios. Recent effort attempting to cover such intricate many-body effects in DFT has initiated many new concepts at varying theoretical levels, and has led to a bunch of new concepts and insights, as well as new DFAs. Some of these developments can be viewed as a merger of wavefunction theories of quantum chemistry and DFT.
    [Show full text]
  • Perdew Chosen for Top Scientific Honor
    Tulane University Perdew Chosen for Top Scientific Honor May 24, 2011 11:45 AM Arthur Nead [email protected] John Perdew, professor of physics in the Tulane School of Science and Engineering, is a newly elected member in the prestigious National Academy of Sciences. “My thanks to the academy for electing me and to Tulane for making it all possible,” says Tulane physicist John Perdew about his election to the prestigious National Academy of Sciences. (Photo by Paula Burch-Celentano) Members of the academy, composed of about 2,000 distinguished scientists from all fields, advise the U.S. government on science policy. Election to the academy, founded in 1863, is considered one of the highest honors that can be accorded a scientist or engineer.“I'm very honored to be included among this group,” Perdew says. Perdew is a leader in the development of density functional theory, which is now widely used in many fields to calculate fundamental properties of materials. “Tulane gave me the chance to do the research that I wanted to do in the density functional theory of atoms, molecules and solids,” Perdew says. “My thanks to the academy for electing me and to Tulane for making it all possible.” Perdew came to Tulane in 1977. He has received many honors for his teaching and research at Tulane, including the first annual Outstanding Researcher Award of the School of Science and Engineering in 2007 and the President's Award for Excellence in Graduate and Professional Teaching in 2009. He received his doctorate in physics from Cornell University in 1971.
    [Show full text]
  • Density Functional Theory
    LONI Institute workshop on Density Functional Theory Louisiana State University, Baton Rouge, LA, USA July 23-27, 2011 Preface It is our pleasure to welcome you to the LONI Institute workshop on Density Functional Theory We thank LONI Institute for its generous financial support and the Center for Computation & Technology and LSU High Performance Computing for their technical and logistical support. This educational workshop will expose graduate students, postdocs, faculty, and staff to several flavors of electronic structure calculations in a holistic way. The workshop will be accessible to graduate students and postdocs in condensed matter physics, chemistry, and materials engineering, who may not have prior knowledge of DFT methods. The invited speakers will provide pedagogical and expository lectures on the methods that they use, complemented by hands-on sessions. The format will allow plenty of time for discussions. We hope you will benefit from the excellent lectures and inspiring discussions. Conference Organizers: Juana Moreno, Louisiana State University John Perdew, Tulane University Ramu Ramachandran, Louisiana Tech University Randall Hall, Louisiana State University High Performance Computing Support Team: Harsha Bhagawaty, Alexander Pacheco, Kathy Traxler, and Jim Lupo. Special thanks to Bety Rodriguez-Milla, Leigh Townsend, and Shelley Lee for all their help in putting together this workshop. Cover image credit: Ramu Ramachandran LONI Institute Density Functional Theory Workshop Johnston Hall, Room 338 Louisiana State University
    [Show full text]
  • Density Functional Theory NATO ASI Series Advanced Science Institutes Series
    Density Functional Theory NATO ASI Series Advanced Science Institutes Series A series presenting the results of activities sponsored by the NA TO Science Committee, which aims at the dissemination of advanced scientific and technological knowledge, with a view to strengthening links between scientific communities. The series is published by an international board of publishers in conjunction with the NATO Scientific Affairs Division A Life Sciences Plenum Publishing Corporation B PhYSics New York and London C Mathematical and Physical Sciences Kluwer Academic Publishers o Behavioral and Social Sciences Dordrecht, Boston, and London E Applied Sciences F Computer and Systems Sciences Springer-Verlag G Ecological Sciences Berlin, Heidelberg, New York, London, H Cell Biology Paris. Tokyo. Hong Kong. and Barcelona I Global Environmental Change Recent Volumes in this Series Volume 330 -Coherent Optical Interactions in Semiconductors edited by R. T. Phillips Volume 331 -Hamiltonian Mechanics: Integrability and Chaotic Behavior edited by John Seimenis Volume 332 -Deterministic Chaos in General Relativity edited by David Hobill. Adrian Burd, and Alan Coley Volume 333 - Perspectives in the Structure of Hadronic Systems edited by M. N. Harakeh. J. H. Koch. and O. Scholten Volume 334 -Frontier Topics in Nuclear Physics edited by Werner Scheid and Aurel Sandulescu Volume 335 - Hot and Dense Nuclear Matter edited by Walter Greiner. Horst Stocker. and Andre Gallmann Volume 336 -From Newton to Chaos: Modern Techniques for Understanding and Coping with Chaos in N-Body Systems edited by A. E. Roy and B. A. Stevens Volume 337 - Density Functional Theory edited by Eberhard K. U. Gross and Reiner M. Dreizler ~ Series B: Physics Density Functional Theory Edited by Eberhard K.
    [Show full text]