Predicting Phonon-Induced Spin Decoherence from First Principles: Colossal Spin Renormalization in Condensed Matter

Park, Jinsoo; Zhou, Jin-Jian; Luo, Yao; Bernardi, Marco

doi:10.1103/physrevlett.129.197201

Predicting Phonon-Induced Spin Decoherence from First Principles: Colossal Spin Renormalization in Condensed Matter

Journal Article · Thu Nov 03 00:00:00 EDT 2022 · Physical Review Letters

DOI:https://doi.org/10.1103/physrevlett.129.197201· OSTI ID:2423057

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California Institute of Technology (CalTech), Pasadena, CA (United States)
Beijing Institute of Technology (China)

Developing a microscopic understanding of spin decoherence is essential to advancing quantum technologies. Electron spin decoherence due to atomic vibrations (phonons) plays a special role as it sets an intrinsic limit to the performance of spin-based quantum devices. Two main sources of phonon-induced spin decoherence—the Elliott-Yafet and Dyakonov-Perel mechanisms—have distinct physical origins and theoretical treatments. Here, we show calculations that unify their modeling and enable accurate predictions of spin relaxation and precession in semiconductors. We compute the phonon-dressed vertex of the spin-spin correlation function with a treatment analogous to the calculation of the anomalous electron magnetic moment in QED. We find that the vertex correction provides a giant renormalization of the electron spin dynamics in solids, greater by many orders of magnitude than the corresponding correction from photons in vacuum. Finally, our Letter demonstrates a general approach for quantitative analysis of spin decoherence in materials, advancing the quest for spin-based quantum technologies.

View Accepted Manuscript (DOE)

Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)

Sponsoring Organization:: National Science Foundation (NSF); USDOE

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 2423057

Journal Information:: Physical Review Letters, Journal Name: Physical Review Letters Journal Issue: 19 Vol. 129; ISSN 0031-9007

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

References (66)

Many-Particle Physics Mahan, Gerald D. Physics of Solids and Liquids (PSLI) https://doi.org/10.1007/978-1-4757-5714-9	book	January 2000
The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table van Setten, M. J.; Giantomassi, M.; Bousquet, E. Computer Physics Communications, Vol. 226 https://doi.org/10.1016/j.cpc.2018.01.012	journal	May 2018
Perturbo: A software package for ab initio electron–phonon interactions, charge transport and ultrafast dynamics Zhou, Jin-Jian; Park, Jinsoo; Lu, I-Te Computer Physics Communications, Vol. 264 https://doi.org/10.1016/j.cpc.2021.107970	journal	July 2021
Spin dynamics in semiconductors Wu, M. W.; Jiang, J. H.; Weng, M. Q. Physics Reports, Vol. 493, Issue 2-4 https://doi.org/10.1016/j.physrep.2010.04.002	journal	August 2010
Unveiling Valley Lifetimes of Free Charge Carriers in Monolayer WSe ₂ Ersfeld, Manfred; Volmer, Frank; Rathmann, Lars Nano Letters, Vol. 20, Issue 5 https://doi.org/10.1021/acs.nanolett.9b05138	journal	March 2020
Electronic measurement and control of spin transport in silicon Appelbaum, Ian; Huang, Biqin; Monsma, Douwe J. Nature, Vol. 447, Issue 7142 https://doi.org/10.1038/nature05803	journal	May 2007
Nanoscale imaging magnetometry with diamond spins under ambient conditions Balasubramanian, Gopalakrishnan; Chan, I. Y.; Kolesov, Roman Nature, Vol. 455, Issue 7213 https://doi.org/10.1038/nature07278	journal	October 2008
A two-qubit logic gate in silicon Veldhorst, M.; Yang, C. H.; Hwang, J. C. C. Nature, Vol. 526, Issue 7573, p. 410-414 https://doi.org/10.1038/nature15263	journal	October 2015
A coherent spin–photon interface in silicon Mi, X.; Benito, M.; Putz, S. Nature, Vol. 555, Issue 7698 https://doi.org/10.1038/nature25769	journal	February 2018
Silicon spintronics Jansen, Ron Nature Materials, Vol. 11, Issue 5 https://doi.org/10.1038/nmat3293	journal	April 2012
A scanning superconducting quantum interference device with single electron spin sensitivity Vasyukov, Denis; Anahory, Yonathan; Embon, Lior Nature Nanotechnology, Vol. 8, Issue 9 https://doi.org/10.1038/nnano.2013.169	journal	September 2013
Graphene spintronics Han, Wei; Kawakami, Roland K.; Gmitra, Martin Nature Nanotechnology, Vol. 9, Issue 10 https://doi.org/10.1038/nnano.2014.214	journal	October 2014
Entanglement and control of single nuclear spins in isotopically engineered silicon carbide Bourassa, Alexandre; Anderson, Christopher P.; Miao, Kevin C. Nature Materials, Vol. 19, Issue 12 https://doi.org/10.1038/s41563-020-00802-6	journal	September 2020
Spin transport and spin torque in antiferromagnetic devices Železný, J.; Wadley, P.; Olejník, K. Nature Physics, Vol. 14, Issue 3 https://doi.org/10.1038/s41567-018-0062-7	journal	March 2018
Spin–phonon interactions in silicon carbide addressed by Gaussian acoustics Whiteley, Samuel J.; Wolfowicz, Gary; Anderson, Christopher P. Nature Physics, Vol. 15, Issue 5 https://doi.org/10.1038/s41567-019-0420-0	journal	February 2019
Quantum guidelines for solid-state spin defects Wolfowicz, Gary; Heremans, F. Joseph; Anderson, Christopher P. Nature Reviews Materials https://doi.org/10.1038/s41578-021-00306-y	journal	April 2021
Universal quantum logic in hot silicon qubits Petit, L.; Eenink, H. G. J.; Russ, M. Nature, Vol. 580, Issue 7803 https://doi.org/10.1038/s41586-020-2170-7	journal	April 2020
Fast universal quantum gate above the fault-tolerance threshold in silicon Noiri, Akito; Takeda, Kenta; Nakajima, Takashi Nature, Vol. 601, Issue 7893 https://doi.org/10.1038/s41586-021-04182-y	journal	January 2022
A unified theory of spin-relaxation due to spin-orbit coupling in metals and semiconductors Boross, Péter; Dóra, Balázs; Kiss, Annamária Scientific Reports, Vol. 3, Issue 1 https://doi.org/10.1038/srep03233	journal	November 2013
Hybrid functionals based on a screened Coulomb potential Heyd, Jochen; Scuseria, Gustavo E.; Ernzerhof, Matthias The Journal of Chemical Physics, Vol. 118, Issue 18 https://doi.org/10.1063/1.1564060	journal	May 2003
Temperature dependence of electron-spin coherence in intrinsic bulk GaAs Lai, Tianshu; Liu, Xiaodong; Xu, Haihong Applied Physics Letters, Vol. 88, Issue 19 https://doi.org/10.1063/1.2202754	journal	May 2006
High temperature electron spin relaxation in bulk GaAs Oertel, S.; Hübner, J.; Oestreich, M. Applied Physics Letters, Vol. 93, Issue 13 https://doi.org/10.1063/1.2993344	journal	September 2008
Spin-lattice relaxation of conduction electrons in silicon Lancaster, G.; Wyk, J. A. van; Schneider, E. E. Proceedings of the Physical Society, Vol. 84, Issue 1 https://doi.org/10.1088/0370-1328/84/1/304	journal	July 1964
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502 https://doi.org/10.1088/0953-8984/21/39/395502	journal	September 2009
Wannier90 as a community code: new features and applications Pizzi, Giovanni; Vitale, Valerio; Arita, Ryotaro Journal of Physics: Condensed Matter, Vol. 32, Issue 16 https://doi.org/10.1088/1361-648X/ab51ff	journal	January 2020
Re-examination of the Elliott–Yafet spin-relaxation mechanism Baral, Alexander; Vollmar, Svenja; Kaltenborn, Steffen New Journal of Physics, Vol. 18, Issue 2 https://doi.org/10.1088/1367-2630/18/2/023012	journal	January 2016
On Quantum-Electrodynamics and the Magnetic Moment of the Electron Schwinger, Julian Physical Review, Vol. 73, Issue 4 https://doi.org/10.1103/PhysRev.73.416	journal	February 1948
Theory of the Effect of Spin-Orbit Coupling on Magnetic Resonance in Some Semiconductors Elliott, R. J. Physical Review, Vol. 96, Issue 2 https://doi.org/10.1103/PhysRev.96.266	journal	October 1954
Spin-phonon relaxation times in centrosymmetric materials from first principles Park, Jinsoo; Zhou, Jin-Jian; Bernardi, Marco Physical Review B, Vol. 101, Issue 4 https://doi.org/10.1103/PhysRevB.101.045202	journal	January 2020
Phonon-limited electron mobility in Si, GaAs, and GaP with exact treatment of dynamical quadrupoles Brunin, Guillaume; Miranda, Henrique Pereira Coutada; Giantomassi, Matteo Physical Review B, Vol. 102, Issue 9 https://doi.org/10.1103/PhysRevB.102.094308	journal	September 2020
Long-range quadrupole electron-phonon interaction from first principles Park, Jinsoo; Zhou, Jin-Jian; Jhalani, Vatsal A. Physical Review B, Vol. 102, Issue 12 https://doi.org/10.1103/PhysRevB.102.125203	journal	September 2020
Ab initio ultrafast spin dynamics in solids Xu, Junqing; Habib, Adela; Sundararaman, Ravishankar Physical Review B, Vol. 104, Issue 18 https://doi.org/10.1103/PhysRevB.104.184418	journal	November 2021
Many-body theory of phonon-induced spin relaxation and decoherence Park, Jinsoo; Luo, Yao; Zhou, Jin-Jian Physical Review B, Vol. 106, Issue 17 https://doi.org/10.1103/PhysRevB.106.174404	journal	November 2022
Spin Resonance of Localized and Delocalized Electrons in Phosphorus-Doped Silicon between 20 and 30 °K Lépine, Daniel J. Physical Review B, Vol. 2, Issue 7 https://doi.org/10.1103/PhysRevB.2.2429	journal	October 1970
Improved tetrahedron method for Brillouin-zone integrations Blöchl, Peter E.; Jepsen, O.; Andersen, O. K. Physical Review B, Vol. 49, Issue 23 https://doi.org/10.1103/PhysRevB.49.16223	journal	June 1994
Room-temperature ultrafast carrier and spin dynamics in GaAs probed by the photoinduced magneto-optical Kerr effect Kimel, A. V.; Bentivegna, F.; Gridnev, V. N. Physical Review B, Vol. 63, Issue 23 https://doi.org/10.1103/PhysRevB.63.235201	journal	May 2001
Spin relaxation in a two-dimensional electron gas in a perpendicular magnetic field Burkov, A. A.; Balents, Leon Physical Review B, Vol. 69, Issue 24 https://doi.org/10.1103/PhysRevB.69.245312	journal	June 2004
Hole spin relaxation in intrinsic andp-type bulk GaAs Shen, K.; Wu, M. W. Physical Review B, Vol. 82, Issue 11 https://doi.org/10.1103/PhysRevB.82.115205	journal	September 2010
Dyakonov-Perel spin relaxation for degenerate electrons in the electron-hole liquid Mower, Matthew D.; Vignale, G.; Tokatly, I. V. Physical Review B, Vol. 83, Issue 15 https://doi.org/10.1103/PhysRevB.83.155205	journal	April 2011
Phonon-limited resistivity of graphene by first-principles calculations: Electron-phonon interactions, strain-induced gauge field, and Boltzmann equation Sohier, Thibault; Calandra, Matteo; Park, Cheol-Hwan Physical Review B, Vol. 90, Issue 12 https://doi.org/10.1103/PhysRevB.90.125414	journal	September 2014
Electrical transport limited by electron-phonon coupling from Boltzmann transport equation: An ab initio study of Si, Al, and MoS 2 Li, Wu Physical Review B, Vol. 92, Issue 7 https://doi.org/10.1103/PhysRevB.92.075405	journal	August 2015
Two-dimensional Fröhlich interaction in transition-metal dichalcogenide monolayers: Theoretical modeling and first-principles calculations Sohier, Thibault; Calandra, Matteo; Mauri, Francesco Physical Review B, Vol. 94, Issue 8 https://doi.org/10.1103/PhysRevB.94.085415	journal	August 2016
Ab initio electron mobility and polar phonon scattering in GaAs Zhou, Jin-Jian; Bernardi, Marco Physical Review B, Vol. 94, Issue 20 https://doi.org/10.1103/PhysRevB.94.201201	journal	November 2016
Long valley relaxation time of free carriers in monolayer WSe 2 Yan, Tengfei; Yang, Siyuan; Li, Dian Physical Review B, Vol. 95, Issue 24 https://doi.org/10.1103/PhysRevB.95.241406	journal	June 2017
Generalized Elliott-Yafet spin-relaxation time for arbitrary spin mixing Vollmar, Svenja; Hilton, David J.; Schneider, Hans Christian Physical Review B, Vol. 96, Issue 7 https://doi.org/10.1103/PhysRevB.96.075203	journal	August 2017
Intuitive approach to the unified theory of spin relaxation Szolnoki, Lénárd; Dóra, Balázs; Kiss, Annamária Physical Review B, Vol. 96, Issue 24 https://doi.org/10.1103/PhysRevB.96.245123	journal	December 2017
Towards predictive many-body calculations of phonon-limited carrier mobilities in semiconductors Poncé, Samuel; Margine, Elena R.; Giustino, Feliciano Physical Review B, Vol. 97, Issue 12 https://doi.org/10.1103/PhysRevB.97.121201	journal	March 2018
Vertex corrections to the dc conductivity in anisotropic multiband systems Kim, Sunghoon; Woo, Seungchan; Min, Hongki Physical Review B, Vol. 99, Issue 16 https://doi.org/10.1103/PhysRevB.99.165107	journal	April 2019
New Measurement of the Electron Magnetic Moment and the Fine Structure Constant Hanneke, D.; Fogwell, S.; Gabrielse, G. Physical Review Letters, Vol. 100, Issue 12 https://doi.org/10.1103/PhysRevLett.100.120801	journal	March 2008
Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces Perdew, John P.; Ruzsinszky, Adrienn; Csonka, Gábor I. Physical Review Letters, Vol. 100, Issue 13 https://doi.org/10.1103/PhysRevLett.100.136406	journal	April 2008
Ultrafast Spin Dynamics Including Spin-Orbit Interaction in Semiconductors Krauß, Michael; Aeschlimann, Martin; Schneider, Hans Christian Physical Review Letters, Vol. 100, Issue 25 https://doi.org/10.1103/PhysRevLett.100.256601	journal	June 2008
Generalized Elliott-Yafet Theory of Electron Spin Relaxation in Metals: Origin of the Anomalous Electron Spin Lifetime inMgB2 Simon, F.; Dóra, B.; Murányi, F. Physical Review Letters, Vol. 101, Issue 17 https://doi.org/10.1103/PhysRevLett.101.177003	journal	October 2008
Electron-Phonon Scattering in the Presence of Soft Modes and Electron Mobility in SrTiO 3 Perovskite from First Principles Zhou, Jin-Jian; Hellman, Olle; Bernardi, Marco Physical Review Letters, Vol. 121, Issue 22 https://doi.org/10.1103/PhysRevLett.121.226603	journal	November 2018
Electron-Phonon beyond Fröhlich: Dynamical Quadrupoles in Polar and Covalent Solids Brunin, Guillaume; Miranda, Henrique Pereira Coutada; Giantomassi, Matteo Physical Review Letters, Vol. 125, Issue 13 https://doi.org/10.1103/PhysRevLett.125.136601	journal	September 2020
Piezoelectric Electron-Phonon Interaction from Ab Initio Dynamical Quadrupoles: Impact on Charge Transport in Wurtzite GaN Jhalani, Vatsal A.; Zhou, Jin-Jian; Park, Jinsoo Physical Review Letters, Vol. 125, Issue 13 https://doi.org/10.1103/PhysRevLett.125.136602	journal	September 2020
Ab Initio Electron-Phonon Interactions in Correlated Electron Systems Zhou, Jin-Jian; Park, Jinsoo; Timrov, Iurii Physical Review Letters, Vol. 127, Issue 12 https://doi.org/10.1103/PhysRevLett.127.126404	journal	September 2021
Optical Orientation and Femtosecond Relaxation of Spin-Polarized Holes in GaAs Hilton, D. J.; Tang, C. L. Physical Review Letters, Vol. 89, Issue 14 https://doi.org/10.1103/PhysRevLett.89.146601	journal	September 2002
Suppression of Dyakonov-Perel Spin Relaxation in High-Mobilityn-GaAs Dzhioev, R. I.; Kavokin, K. V.; Korenev, V. L. Physical Review Letters, Vol. 93, Issue 21 https://doi.org/10.1103/PhysRevLett.93.216402	journal	November 2004
Valley relaxation of resident electrons and holes in a monolayer semiconductor: Dependence on carrier density and the role of substrate-induced disorder Li, Jing; Goryca, M.; Yumigeta, K. Physical Review Materials, Vol. 5, Issue 4 https://doi.org/10.1103/PhysRevMaterials.5.044001	journal	April 2021
Phonons and related crystal properties from density-functional perturbation theory Baroni, Stefano; de Gironcoli, Stefano; Dal Corso, Andrea Reviews of Modern Physics, Vol. 73, Issue 2 https://doi.org/10.1103/RevModPhys.73.515	journal	July 2001
Spintronics: Fundamentals and applications Žutić, Igor; Fabian, Jaroslav; Das Sarma, S. Reviews of Modern Physics, Vol. 76, Issue 2 https://doi.org/10.1103/RevModPhys.76.323	journal	April 2004
Quantum sensing Degen, C. L.; Reinhard, F.; Cappellaro, P. Reviews of Modern Physics, Vol. 89, Issue 3 https://doi.org/10.1103/RevModPhys.89.035002	journal	July 2017
Sensitivity optimization for NV-diamond magnetometry Barry, John F.; Schloss, Jennifer M.; Bauch, Erik Reviews of Modern Physics, Vol. 92, Issue 1 https://doi.org/10.1103/RevModPhys.92.015004	journal	March 2020
Detection of thermodynamic “valley noise” in monolayer semiconductors: Access to intrinsic valley relaxation time scales Goryca, M.; Wilson, N. P.; Dey, P. Science Advances, Vol. 5, Issue 3 https://doi.org/10.1126/sciadv.aau4899	journal	March 2019
First-principles dynamics of electrons and phonons* Bernardi, Marco The European Physical Journal B, Vol. 89, Issue 11 https://doi.org/10.1140/epjb/e2016-70399-4	journal	November 2016
Ab initio electron-phonon interactions in correlated electron systems Zhou, Jin-Jian; Park, Jinsoo; Timrov, Iurii Materials Cloud https://doi.org/10.24435/materialscloud:jt-32	dataset	January 2021

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