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Development and Application of New Method and Platform for Correlated Oxides
Development and Application of New Method and Platform for Correlated Oxides
Development and Application of New Method and Platform for Correlated Oxides

상세정보

자료유형  
 학위논문 서양
최종처리일시  
20260202103018
ISBN  
9798286436248
DDC  
530
저자명  
Jin, Zheting.
서명/저자  
Development and Application of New Method and Platform for Correlated Oxides
발행사항  
[Sl] : Yale University, 2025
발행사항  
Ann Arbor : ProQuest Dissertations & Theses, 2025
형태사항  
283 p
주기사항  
Source: Dissertations Abstracts International, Volume: 86-12, Section: B.
주기사항  
Advisor: Ismail-Beigi, Sohrab.
학위논문주기  
Thesis (Ph.D.)--Yale University, 2025.
초록/해제  
요약Strongly correlated oxides, including high-temperature superconductors such as cuprates and nickelates, exhibit complex quantum phenomena that can challenge conventional electronic structure theories. This thesis develops and applies advanced computational methods to study these systems, aiming to provide a comprehensive first-principles description of their structural, spin, and electronic properties. First, a novel cluster slave-particle method is introduced to improve the treatment of electron correlations in extended Hubbard models, capturing strong correlation effects with high computational efficiency and benchmarking well against established many-body techniques. This method is then combined with density functional theory calculations and applied to cuprates, where we demonstrate how structural distortions significantly impact interlayer couplings, charge-transfer gaps, spin correlations, and therefore electron pairing. Next, interlayer coupling mechanisms in cuprates are systematically investigated, leading to analytical expressions for estimating hopping strengths and effective interlayer couplings based on crystal structure. These frameworks further enable us to assist our experimental collaborators in understanding the effects of Praseodymium doping in YBa2Cu3O7−x. Extending these insights to nickelates, the thesis explores the spin fluctuation effects in infinite-layer nickelates and estimates exchange interactions that drive unique magnetoresistive effects. By integrating many-body theory, first-principles calculations, and experimental data, this work advances the understanding of correlated electron systems and provides guidance for the design of new superconducting materials.
일반주제명  
Condensed matter physics
일반주제명  
Physics
일반주제명  
Quantum physics
일반주제명  
Particle physics
키워드  
Density functional theory
키워드  
High-temperature superconductors
키워드  
Quantum phenomena
키워드  
Slave-particle method
키워드  
Spin fluctuations
키워드  
Strongly correlated oxides
기타저자  
Yale University Applied Physics
기본자료저록  
Dissertations Abstracts International. 86-12B.
전자적 위치 및 접속  
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MARC

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■040    ▼aMiAaPQ▼cMiAaPQ
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■1001  ▼aJin,  Zheting.
■24510▼aDevelopment  and  Application  of  New  Method  and  Platform  for  Correlated  Oxides
■260    ▼a[Sl]▼bYale  University▼c2025
■260  1▼aAnn  Arbor▼bProQuest  Dissertations  &  Theses▼c2025
■300    ▼a283  p
■500    ▼aSource:  Dissertations  Abstracts  International,  Volume:  86-12,  Section:  B.
■500    ▼aAdvisor:  Ismail-Beigi,  Sohrab.
■5021  ▼aThesis  (Ph.D.)--Yale  University,  2025.
■520    ▼aStrongly  correlated  oxides,  including  high-temperature  superconductors  such  as  cuprates  and  nickelates,  exhibit  complex  quantum  phenomena  that  can  challenge  conventional  electronic  structure  theories.  This  thesis  develops  and  applies  advanced  computational  methods  to  study  these  systems,  aiming  to  provide  a  comprehensive  first-principles  description  of  their  structural,  spin,  and  electronic  properties.  First,  a  novel  cluster  slave-particle  method  is  introduced  to  improve  the  treatment  of  electron  correlations  in  extended  Hubbard  models,  capturing  strong  correlation  effects  with  high  computational  efficiency  and  benchmarking  well  against  established  many-body  techniques.  This  method  is  then  combined  with  density  functional  theory  calculations  and  applied  to  cuprates,  where  we  demonstrate  how  structural  distortions  significantly  impact  interlayer  couplings,  charge-transfer  gaps,  spin  correlations,  and  therefore  electron  pairing.  Next,  interlayer  coupling  mechanisms  in  cuprates  are  systematically  investigated,  leading  to  analytical  expressions  for  estimating  hopping  strengths  and  effective  interlayer  couplings  based  on  crystal  structure.  These  frameworks  further  enable  us  to  assist  our  experimental  collaborators  in  understanding  the  effects  of  Praseodymium  doping  in  YBa2Cu3O7−x.  Extending  these  insights  to  nickelates,  the  thesis  explores  the  spin  fluctuation  effects  in  infinite-layer  nickelates  and  estimates  exchange  interactions  that  drive  unique  magnetoresistive  effects.  By  integrating  many-body  theory,  first-principles  calculations,  and  experimental  data,  this  work  advances  the  understanding  of  correlated  electron  systems  and  provides  guidance  for  the  design  of  new  superconducting  materials.
■590    ▼aSchool  code:  0265.
■650  4▼aCondensed  matter  physics
■650  4▼aPhysics
■650  4▼aQuantum  physics
■650  4▼aParticle  physics
■653    ▼aDensity  functional  theory
■653    ▼aHigh-temperature  superconductors
■653    ▼aQuantum  phenomena
■653    ▼aSlave-particle  method
■653    ▼aSpin  fluctuations
■653    ▼aStrongly  correlated  oxides
■690    ▼a0611
■690    ▼a0599
■690    ▼a0798
■690    ▼a0605
■71020▼aYale  University▼bApplied  Physics.
■7730  ▼tDissertations  Abstracts  International▼g86-12B.
■790    ▼a0265
■791    ▼aPh.D.
■792    ▼a2025
■793    ▼aEnglish
■85640▼uhttp://www.riss.kr/pdu/ddodLink.do?id=T17356694▼nKERIS▼z이  자료의  원문은  한국교육학술정보원에서  제공합니다.

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