Simao M. Joao, Marko D. Petrovic, J. M. Viana Parente Lopes, Aires Ferreira, Branislav K. Nikolic
{"title":"调和库勃法和凯尔迪什法的费米海洋非平衡观测值:自旋电子学中自旋霍尔电流和自旋轨道转矩的应用","authors":"Simao M. Joao, Marko D. Petrovic, J. M. Viana Parente Lopes, Aires Ferreira, Branislav K. Nikolic","doi":"arxiv-2408.16611","DOIUrl":null,"url":null,"abstract":"Quantum transport studies of spin-dependent phenomena in solids commonly\nemploy the Kubo or Keldysh formulas for the steady-state density matrix in the\nlinear-response regime. Its trace with operators of interest -- such as, spin\ndensity, spin current density or spin torque -- gives expectation values of\nexperimentally accessible observables. For such local quantities, these\nformulas require summing over the manifolds of {\\em both} Fermi-surface and\nFermi-sea quantum states. However, debates have been raging in the literature\nabout vastly different physics the two formulations can apparently produce,\neven when applied to the same system. Here, we revisit this problem using a\ntestbed of infinite-size graphene with proximity-induced spin-orbit and\nmagnetic exchange effects. By splitting this system into semi-infinite leads\nand central active region, in the spirit of Landauer two-terminal setup for\nquantum transport, we prove the {\\em numerically exact equivalence} of the Kubo\nand Keldysh approaches via the computation of spin Hall current density and\nspin-orbit torque in both clean and disordered limits. The key to reconciling\nthe two approaches are the numerical frameworks we develop for: ({\\em i})\nevaluation of Kubo(-Bastin) formula for a system attached to semi-infinite\nleads, which ensure continuous energy spectrum and evade the need for\nphenomenological broadening in prior calculations; and ({\\em ii}) proper\nevaluation of Fermi-sea term in the Keldysh approach, which {\\em must} include\nthe voltage drop across the central active region even if it is disorder free.","PeriodicalId":501369,"journal":{"name":"arXiv - PHYS - Computational Physics","volume":"33 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2024-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Reconciling Kubo and Keldysh Approaches to Fermi-Sea-Dependent Nonequilibrium Observables: Application to Spin Hall Current and Spin-Orbit Torque in Spintronics\",\"authors\":\"Simao M. Joao, Marko D. Petrovic, J. M. Viana Parente Lopes, Aires Ferreira, Branislav K. Nikolic\",\"doi\":\"arxiv-2408.16611\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Quantum transport studies of spin-dependent phenomena in solids commonly\\nemploy the Kubo or Keldysh formulas for the steady-state density matrix in the\\nlinear-response regime. Its trace with operators of interest -- such as, spin\\ndensity, spin current density or spin torque -- gives expectation values of\\nexperimentally accessible observables. For such local quantities, these\\nformulas require summing over the manifolds of {\\\\em both} Fermi-surface and\\nFermi-sea quantum states. However, debates have been raging in the literature\\nabout vastly different physics the two formulations can apparently produce,\\neven when applied to the same system. Here, we revisit this problem using a\\ntestbed of infinite-size graphene with proximity-induced spin-orbit and\\nmagnetic exchange effects. By splitting this system into semi-infinite leads\\nand central active region, in the spirit of Landauer two-terminal setup for\\nquantum transport, we prove the {\\\\em numerically exact equivalence} of the Kubo\\nand Keldysh approaches via the computation of spin Hall current density and\\nspin-orbit torque in both clean and disordered limits. The key to reconciling\\nthe two approaches are the numerical frameworks we develop for: ({\\\\em i})\\nevaluation of Kubo(-Bastin) formula for a system attached to semi-infinite\\nleads, which ensure continuous energy spectrum and evade the need for\\nphenomenological broadening in prior calculations; and ({\\\\em ii}) proper\\nevaluation of Fermi-sea term in the Keldysh approach, which {\\\\em must} include\\nthe voltage drop across the central active region even if it is disorder free.\",\"PeriodicalId\":501369,\"journal\":{\"name\":\"arXiv - PHYS - Computational Physics\",\"volume\":\"33 1\",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2024-08-29\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"arXiv - PHYS - Computational Physics\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/arxiv-2408.16611\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"arXiv - PHYS - Computational Physics","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/arxiv-2408.16611","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Reconciling Kubo and Keldysh Approaches to Fermi-Sea-Dependent Nonequilibrium Observables: Application to Spin Hall Current and Spin-Orbit Torque in Spintronics
Quantum transport studies of spin-dependent phenomena in solids commonly
employ the Kubo or Keldysh formulas for the steady-state density matrix in the
linear-response regime. Its trace with operators of interest -- such as, spin
density, spin current density or spin torque -- gives expectation values of
experimentally accessible observables. For such local quantities, these
formulas require summing over the manifolds of {\em both} Fermi-surface and
Fermi-sea quantum states. However, debates have been raging in the literature
about vastly different physics the two formulations can apparently produce,
even when applied to the same system. Here, we revisit this problem using a
testbed of infinite-size graphene with proximity-induced spin-orbit and
magnetic exchange effects. By splitting this system into semi-infinite leads
and central active region, in the spirit of Landauer two-terminal setup for
quantum transport, we prove the {\em numerically exact equivalence} of the Kubo
and Keldysh approaches via the computation of spin Hall current density and
spin-orbit torque in both clean and disordered limits. The key to reconciling
the two approaches are the numerical frameworks we develop for: ({\em i})
evaluation of Kubo(-Bastin) formula for a system attached to semi-infinite
leads, which ensure continuous energy spectrum and evade the need for
phenomenological broadening in prior calculations; and ({\em ii}) proper
evaluation of Fermi-sea term in the Keldysh approach, which {\em must} include
the voltage drop across the central active region even if it is disorder free.