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020 _a9783031715488
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024 7 _a10.1007/978-3-031-71548-8
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100 1 _aLaBollita, Harrison.
_eauthor.
_4aut
_4http://id.loc.gov/vocabulary/relators/aut
_985107
245 1 0 _aElectronic Structure of Rare-Earth Nickelates from First-Principles
_h[electronic resource] /
_cby Harrison LaBollita.
250 _a1st ed. 2024.
264 1 _aCham :
_bSpringer Nature Switzerland :
_bImprint: Springer,
_c2024.
300 _aXIII, 102 p. 41 illus., 39 illus. in color.
_bonline resource.
336 _atext
_btxt
_2rdacontent
337 _acomputer
_bc
_2rdamedia
338 _aonline resource
_bcr
_2rdacarrier
347 _atext file
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490 1 _aSpringer Theses, Recognizing Outstanding Ph.D. Research,
_x2190-5061
505 0 _aChapter 1: Introduction -- Chapter 2: Ab-initio Approaches to Correlated Materials -- Chapter 3: Dft Trends In The Electronic Structure and Magnetic Properties of Reduced Ruddlesden-popper Nickelates -- Chapter 4: Comparing Layered Nickelate Superconductors Within Dft+Dmft -- Chapter 5: Many-body Trends of Reduced Ruddlesden-popper Nickelates -- Chapter 6: Conductivity of Infinite-layer Nickelate As A Probe of Spectator Bands -- Chapter 7: Summary and Outlook.
520 _aThis thesis demonstrates the value of theoretical approaches in the discovery of new superconducting materials. It reports a detailed study of the recently discovered nickel-oxide (nickelate) superconductors using multiple first-principles computational tools, from density functional theory to dynamical mean field theory. In the context of superconductivity, discoveries have generally been linked to serendipitous experimental discovery; this thesis reports some of the few examples of predictions of new superconductors that have later been realized in practice, a prime example of the significance of the methodology it expounds. Overall, it represents a seminal systematic work in the electronic structure theory of the emergent field of nickelate superconductivity.
650 0 _aSuperconductivity.
_968008
650 0 _aSuperconductors.
_967787
650 0 _aCondensed matter.
_966773
650 0 _aMaterials science
_xData processing.
_967985
650 0 _aElectronic structure.
_983289
650 0 _aQuantum chemistry
_xComputer programs.
_983290
650 0 _aSolid state physics.
650 0 _aMathematical physics.
650 0 _aComputer simulation.
650 1 4 _aSuperconductivity.
_968008
650 2 4 _aStructure of Condensed Matter.
_970434
650 2 4 _aElectronic Structure Calculations.
_983292
650 2 4 _aElectronic Devices.
650 2 4 _aComputational Physics and Simulations.
_965564
710 2 _aSpringerLink (Online service)
773 0 _tSpringer Nature eBook
776 0 8 _iPrinted edition:
_z9783031715471
776 0 8 _iPrinted edition:
_z9783031715495
776 0 8 _iPrinted edition:
_z9783031715501
830 0 _aSpringer Theses, Recognizing Outstanding Ph.D. Research,
_x2190-5061
_966370
856 4 0 _uhttps://doi.org/10.1007/978-3-031-71548-8
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912 _aZDB-2-SXP
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