Abstract Quantum Criticality, Magnetic Frustration, and Unconventional Superconductivity in Heavy Fermion Metals by Jedediah H. Pixley Rareearthand actinide metalcompounds have emerged as quintessen- tial systems to experimentally and theoretically explore zero temperature quantum phase transitions. These so called heavy fermion metals pro- vide a platform to systematically study physics on the edge of our under- standing, where conventional approaches fail to describe the experimental observations. In this thesis, we are concerned with the theoretical descrip- tion of the different types of quantum phases and phase transitions that are possible within heavy fermion metals. We first focus on understanding the unconventional quantum critical scaling properties observed in heavy fermion metals. Guided by the ex- tended dynamical mean field theory (EDMFT) of the Kondo lattice, we study the physics of Kondo destruction in simplified quantum impurity models. Using the continuous time quantum Monte Carlo (CT-QMC), we show Kondo destroyed quantum critical points (QCPs) give rise to local correlation functions that obey frequency and magnetic field over tem- perature scaling, and have a linear in temperature relaxation rate. Our results are consistent with the experiments on the quantum critical heavy fermion metals YbRh Si , CeCu Au , and β-YbAlB . 2 2 6 x x 4 − Motivated by experiments on CeRhIn and related heavy fermion sys- 5 tems, we then focus on the superconducting properties of the Kondo de- stroyed QCPs. We introduce and solve an effective model that has both Kondo destruction and pairing correlations, using a combination of CT- QMC and the numerical renormalization group (NRG) methods. We then solve the cluster EDMFT equations across the QCP for two and three di- mensional magnetic fluctuations, using the CT-QMC as the cluster solver. In the two dimensional case, we find that the Kondo screening is driven critical at the antiferromagnetic QCP. In each case studied, we find that the pairing susceptibility is strongly enhanced in the vicinity of the QCP. Our results point to the exciting possibility of an unconventional super- conducting pairing mechanism, which results from Kondo screening being driven critical on the border of antiferromagnetic order. We then proceed to study the effect of magnetic frustration on heavy fermionmetalsbyconsideringtheShastrySutherlandKondolatticemodel. We solve the model within a large N mean field approach. Our results are particularly pertinent to the frustrated heavy fermion metals Yb Pt Pb 2 2 and YbAl C , of which both realize VBS ground states despite being 3 3 metallic. Our results represent a significant step forward in constructing a global phase diagram of heavy fermion metals. This work is dedicated to the Pixley and Coburn families for giving me the opportunity to follow my dreams. Acknowledgements I would first like to thank my PhD adviser Qimiao Si, who has been guiding me along this exciting research path. Despite me being a young graduate student stumbling my way through research, Qimiao has always treated me asan equal. His kind, patient, andinsightful approach to men- toring has taught me how to become an independent theoretical physicist, allowing me to develop the technical tools I need and giving me the free- dom to explore some of my own ideas and collaborations. In addition, Qimiao has given me the opportunity to present my research at various conferences and collaborate with scientists all over the world. Not only has Qimiao been an excellent adviser but has also become a mentor and a friend, his guidance and intuition has proven invaluable throughout my graduate career and for this I am truly thankful. I would like to thank my collaborators who have come through Rice UniversityM´artonKormos,AdiletImambekov, RongYu,PallabGoswami, and Ang Cai, as well as Kevin Ingersent and Lili Deng at the University of Florida. I would also like to thank Stefan Kirchner for all of his guidance and mentorship, for the many trips to Dresden, Germany, and collabora- tions at the Max Planck Institute for the Physics of Complex Systems. Each trip to Dresden, Germany, was as life changing as the last, these experiences have helped me become the man I am today. I would like to thank Andriy Nevidomskyy for his collaborations and many discussions, which always help remind me how much I enjoy doing physics. I would also like to thank Matthew Foster for serving on my PhD committee, as well as for everything he has taught me inside and outside of the class- room. I would also like to thank Emil Nica, Jianda Wu, Zhentao Wang, Yang-Zhi Chou, Hong-Yi Xie, and Wenxin Ding for numerous discussions and for making my time in the condensed matter theory group at Rice University very enjoyable. Laslty, I would also like to thank Gustavo Scuseria for being on my PhD committee and helping me improve the quality and readership of this thesis. I would like to thank my close friends I have had the luck of getting to know in Houston, Texas. My time here wouldn’t have been the same without J.J.Thomson, Lindsey Anderson, BrianDeSalvo, Eva Dyer, Sara Haber, Marcel LaFlamme, Karen Rosenthall, Josh Rueckheim, Aditya Shashi, and Alex and Eli Witus. Having the opportunity to be close friends and go through the training to be a theoretical physicist with vi Aditya Shashi has been invaluable to me, I look forward to his insights and friendship for a long time to come. From establishing “The Institute” many years back to its utter destruction, which then lead to the birth of the “Bakery” (like a phoenix rising out of the ashes), Brian DeSalvo has been an excellent friend, housemate, confidant, and all around stand up guy. I would like to thank my friends from long ago that continue to have an impact on my life T. C. Calhoun, Sam and Britton Douglass, Ian Evarts, Jack Kellames, and Zack Walter. I would also like to thank my college friends Josiah Failing, Glenn Grey, Chris Meyer, Dan Nagy, Leo Ronin, Alex Wang, Cameron Wong, and Arla Yost for their continuing support. Lastly, I would like to thank all of my close friends far and wide for helping me get back up after I get knocked down because we all fall down sometimes. I would never have made it to where I am today without the continual love,guidance,andsupportofmyfamily. Notonlyhavemyparentsalways pushed me to follow my passions they have helped me however they can. My mother Janice Pixley has always helped nurture my creative spark, while helping me develop a deep love for learning. She has always helped me believe in myself no matter the odds. My father John Pixley helped expose me to the beauty of science at a young age. He has taught me the true meaning of hard work and what it means to be a respectable man. I would like to thank my brother Aaron Pixley for helping me discover a love for academics and for his help in following this passion even though it takes one very far from the beaten path. My brother has taught me the true meaning of courage, his influence and friendship have been and will continue to be invaluable throughout my life. In the past three years of my life I have been lucky enough to get to know and fall in love with Sara Haber. Sara is incredibly supportive in all of my different endeavors, she is always ready to help me think through any issue, or even help me make nice figures (such as figures 1.1 and 1.2 in this thesis). Sara’s loving, carefree, beautiful, and genuine spirit help remind me of what happiness should be like, what I am looking for in life, and the man I am trying to become. She is my best friend, my better half, and I love her for this. For these reasons and many more I would like to thank Sara for helping me along this journey and for continuing to make it so much more wonderful. Contents Abstract ii Acknowledgements v 1 Introduction 2 1.1 Landau Theory of Phase Transitions . . . . . . . . . . . . . . . . . . 9 1.2 Spin Density Wave Quantum Critical Point . . . . . . . . . . . . . . . 12 1.3 Unconventional Superconductivity . . . . . . . . . . . . . . . . . . . . 15 1.4 Summary . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17 2 Heavy Fermion Metals 19 2.1 Impurity Models . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20 2.2 Heavy Quasiparticles . . . . . . . . . . . . . . . . . . . . . . . . . . . 25 2.3 Spin Density Wave Transition . . . . . . . . . . . . . . . . . . . . . . 27 2.4 Kondo Destruction, Experiment, and Theory . . . . . . . . . . . . . . 29 2.4.1 CeCu Au . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 6 x x − 2.4.2 YbRh Si . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 2 2 2.4.3 CeRhIn . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 31 5 viii 2.4.4 Local Quantum Criticality . . . . . . . . . . . . . . . . . . . . 32 2.4.5 Summary . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34 2.5 Quantum Fluctuations . . . . . . . . . . . . . . . . . . . . . . . . . . 35 3 Scaling and Relaxational Dynamics of Kondo Breakdown Quantum Critical Points 38 3.1 Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 39 3.2 Methods . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40 3.3 Pseudogap Kondo model in a dynamical large-N limit . . . . . . . . . 41 3.4 Pseudogap Anderson model at N = 2 . . . . . . . . . . . . . . . . . . 44 3.5 Discussion . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 48 3.6 Summary . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 49 4 The Effect of Valence Fluctuations in the Particle Hole Asymmetric Pseudogap Anderson Model 51 4.1 Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 52 4.2 Methods . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 53 4.3 Phases . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55 4.4 Quantum Critical Properties . . . . . . . . . . . . . . . . . . . . . . . 56 4.5 Dynamical Scaling at the QCP . . . . . . . . . . . . . . . . . . . . . 58 4.6 Discussion . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60 4.7 Summary . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 62 5 Bose Fermi Pseudogap Impurity Models 63 5.1 Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 63 5.2 Models . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 67 5.3 Methods . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 69 5.3.1 Continuous Time Quantum Monte Carlo . . . . . . . . . . . . 69 ix 5.3.2 Numerical Renormalization Group . . . . . . . . . . . . . . . 72 5.4 Phases . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 75 5.5 Results Near the Quantum Critical Point . . . . . . . . . . . . . . . . 78 5.5.1 Static Critical Behavior . . . . . . . . . . . . . . . . . . . . . 78 5.5.2 Critical Dynamics . . . . . . . . . . . . . . . . . . . . . . . . . 91 5.6 Summary . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95 6 Cluster Extended Dynamical Mean Field Theory 98 6.1 Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99 6.2 Extended Cluster Theories . . . . . . . . . . . . . . . . . . . . . . . . 102 6.2.1 Real Space Formulation . . . . . . . . . . . . . . . . . . . . . 102 6.2.2 Momentum Space Formulation . . . . . . . . . . . . . . . . . . 108 6.3 Magnetic Order . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110 6.3.1 Static Spin Susceptibility . . . . . . . . . . . . . . . . . . . . . 112 6.4 Superconductivity . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115 6.4.1 Ising Spin Interaction . . . . . . . . . . . . . . . . . . . . . . . 115 6.4.2 Heisenberg Spin Interaction . . . . . . . . . . . . . . . . . . . 118 6.4.3 Static Pairing Susceptibility . . . . . . . . . . . . . . . . . . . 120 6.5 Effective Cluster Models . . . . . . . . . . . . . . . . . . . . . . . . . 121 6.6 Discussion . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124 6.7 Conclusions . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126 7 Pairing Correlations in the Two Impurity Bose-Fermi Anderson Model 127 7.1 Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 128 7.2 Model . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 129 7.3 Methods . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 131 x 7.4 Quantum Critical Properties . . . . . . . . . . . . . . . . . . . . . . . 133 7.4.1 Ising H . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 133 12 7.4.2 Heisenberg H . . . . . . . . . . . . . . . . . . . . . . . . . . 134 12 7.5 Pairing Susceptibilities . . . . . . . . . . . . . . . . . . . . . . . . . . 138 7.6 Summary . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 139 8 Unconventional Superconductivity near the Locally Critical Point 141 8.1 Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 142 8.2 Method . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 143 8.3 Two Dimensional Magnetic Fluctuations . . . . . . . . . . . . . . . . 146 8.3.1 Phase Diagram . . . . . . . . . . . . . . . . . . . . . . . . . . 148 8.3.2 Pairing Susceptibilities . . . . . . . . . . . . . . . . . . . . . . 152 8.4 Three Dimensional Magnetic Fluctuations . . . . . . . . . . . . . . . 154 8.5 Summary . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158 9 Global Phase Diagram of Heavy Fermion Metals, insights from the Shastry-Sutherland Kondo Lattice 162 9.1 Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 163 9.2 Model . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 165 9.3 Mean Field Theory in the Large-N limit . . . . . . . . . . . . . . . . 166 9.4 Large N Phase Diagram . . . . . . . . . . . . . . . . . . . . . . . . . 167 9.5 Magnetism at N = 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . 169 10 Conclusions 175 Appendices 177 A Appendix A: Appendix of Chapter 5 178 A.1 Schrieffer Wolf Transormation . . . . . . . . . . . . . . . . . . . . . . 178
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