Dataset Open Access

Data publication: Impact of electronic correlations on high-pressure iron: insights from time-dependent density functional theory

Ramakrishna, Kushal; Lokamani, Mani; Baczewski, Andrew; Vorberger, Jan; Cangi, Attila

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{
  "id": "2499", 
  "issued": {
    "date-parts": [
      [
        2023, 
        10, 
        6
      ]
    ]
  }, 
  "DOI": "10.14278/rodare.2499", 
  "abstract": "<p>Simulation and literature data on the electrical and thermal conductivity of high-pressure iron. The raw simulation data was generated from time-dependent density functional theory calculations. Post-processing was applied to obtain the transport properties (conductivities) as described in the associated journal publication. The literature data was compiled from available publication data as referenced in the associated journal publication.</p>", 
  "type": "dataset", 
  "title": "Data publication: Impact of electronic correlations on high-pressure iron: insights from time-dependent density functional theory", 
  "publisher": "Rodare", 
  "author": [
    {
      "family": "Ramakrishna, Kushal"
    }, 
    {
      "family": "Lokamani, Mani"
    }, 
    {
      "family": "Baczewski, Andrew"
    }, 
    {
      "family": "Vorberger, Jan"
    }, 
    {
      "family": "Cangi, Attila"
    }
  ]
}
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Publication date:
October 6, 2023
DOI:
10.14278/rodare.2499

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10.14278/rodare.2499

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Keyword(s):
Time-dpenedent density functional theory Electronic structure Electrical conductivity
Related identifiers:
Identical to:
https://www.hzdr.de/publications/Publ-37622
Referenced by:
https://www.hzdr.de/publications/Publ-37621
References:
10.1088/2516-1075/acfd75
Communities:
License (for files):
Creative Commons Attribution 4.0 International

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Version 1 10.14278/rodare.2499 Oct 6, 2023
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