DOI: 10.1103/physrevlett.101.046405. Defect Energy Levels in Density Functional Calculations: Alignment and Band Gap Problem

Defect Energy Levels in Density Functional Calculations: Alignment and Band Gap Problem

10.1103/physrevlett.101.046405

Crossref journal-article

American Physical Society (APS)

Physical Review Letters (16)

Bibliography

Alkauskas, A., Broqvist, P., & Pasquarello, A. (2008). Defect Energy Levels in Density Functional Calculations: Alignment and Band Gap Problem. Physical Review Letters, 101(4).

Authors 3

Audrius Alkauskas (first)
Peter Broqvist (additional)
Alfredo Pasquarello (additional)

References 34 Referenced 296

Dates

Type	When
Created	17 years ago (July 25, 2008, 3:36 p.m.)
Deposited	7 months, 2 weeks ago (Jan. 2, 2025, 4:42 p.m.)
Indexed	1 day, 11 hours ago (Aug. 20, 2025, 9:21 a.m.)
Issued	17 years ago (July 25, 2008)
Published	17 years ago (July 25, 2008)
Published Online	17 years ago (July 25, 2008)

Funders 0

None

BibTeX

@article{Alkauskas_2008, title={Defect Energy Levels in Density Functional Calculations: Alignment and Band Gap Problem}, volume={101}, ISSN={1079-7114}, url={http://dx.doi.org/10.1103/physrevlett.101.046405}, DOI={10.1103/physrevlett.101.046405}, number={4}, journal={Physical Review Letters}, publisher={American Physical Society (APS)}, author={Alkauskas, Audrius and Broqvist, Peter and Pasquarello, Alfredo}, year={2008}, month=jul }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2025,
        8,
        20
      ]
    ],
    "date-time": "2025-08-20T13:21:23Z",
    "timestamp": 1755696083170,
    "version": "3.32.0"
  },
  "reference-count": 34,
  "publisher": "American Physical Society (APS)",
  "issue": "4",
  "license": [
    {
      "start": {
        "date-parts": [
          [
            2008,
            7,
            25
          ]
        ],
        "date-time": "2008-07-25T00:00:00Z",
        "timestamp": 1216944000000
      },
      "content-version": "vor",
      "delay-in-days": 0,
      "URL": "http://link.aps.org/licenses/aps-default-license"
    }
  ],
  "content-domain": {
    "domain": [],
    "crossmark-restriction": false
  },
  "DOI": "10.1103/physrevlett.101.046405",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2008,
        7,
        25
      ]
    ],
    "date-time": "2008-07-25T19:36:41Z",
    "timestamp": 1217014601000
  },
  "source": "Crossref",
  "is-referenced-by-count": 296,
  "title": "Defect Energy Levels in Density Functional Calculations: Alignment and Band Gap Problem",
  "prefix": "10.1103",
  "volume": "101",
  "author": [
    {
      "given": "Audrius",
      "family": "Alkauskas",
      "sequence": "first",
      "affiliation": []
    },
    {
      "given": "Peter",
      "family": "Broqvist",
      "sequence": "additional",
      "affiliation": []
    },
    {
      "given": "Alfredo",
      "family": "Pasquarello",
      "sequence": "additional",
      "affiliation": []
    }
  ],
  "member": "16",
  "published-online": {
    "date-parts": [
      [
        2008,
        7,
        25
      ]
    ]
  },
  "reference": [
    {
      "key": "PhysRevLett.101.046405Cc1R1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1063/1.1682673"
    },
    {
      "key": "PhysRevLett.101.046405Cc2R1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevLett.98.045501"
    },
    {
      "key": "PhysRevLett.101.046405Cc3R1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevLett.95.156401"
    },
    {
      "key": "PhysRevLett.101.046405Cc3R2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevLett.97.226401"
    },
    {
      "key": "PhysRevLett.101.046405Cc4R1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.73.235213"
    },
    {
      "key": "PhysRevLett.101.046405Cc5R1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.76.165202"
    },
    {
      "key": "PhysRevLett.101.046405Cc6R1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.61.R7846"
    },
    {
      "key": "PhysRevLett.101.046405Cc6R2",
      "doi-asserted-by": "crossref",
      "first-page": "041201",
      "DOI": "10.1103/PhysRevB.73.041201",
      "volume": "73",
      "author": "J. Li",
      "year": "2006",
      "journal-title": "Phys. Rev. B",
      "ISSN": "https://id.crossref.org/issn/0163-1829",
      "issn-type": "print"
    },
    {
      "key": "PhysRevLett.101.046405Cc7R1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.63.075205"
    },
    {
      "key": "PhysRevLett.101.046405Cc8R1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.72.115323"
    },
    {
      "key": "PhysRevLett.101.046405Cc8R2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1063/1.2119425"
    },
    {
      "key": "PhysRevLett.101.046405Cc8R3",
      "doi-asserted-by": "publisher",
      "DOI": "10.1063/1.2236466"
    },
    {
      "key": "PhysRevLett.101.046405Cc8R4",
      "doi-asserted-by": "publisher",
      "DOI": "10.1063/1.2424441"
    },
    {
      "key": "PhysRevLett.101.046405Cc9R1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1063/1.476538"
    },
    {
      "key": "PhysRevLett.101.046405Cc10R1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/S0009-2614(01)00616-9"
    },
    {
      "key": "PhysRevLett.101.046405Cc10R2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1063/1.2187006"
    },
    {
      "key": "PhysRevLett.101.046405Cc10R3",
      "doi-asserted-by": "publisher",
      "DOI": "10.1063/1.2403866"
    },
    {
      "key": "PhysRevLett.101.046405Cc11R1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevLett.77.3865"
    },
    {
      "key": "PhysRevLett.101.046405Cc12R1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1063/1.472933"
    },
    {
      "key": "PhysRevLett.101.046405Cc13R1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.34.4405"
    },
    {
      "key": "PhysRevLett.101.046405Cc17R1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevLett.96.246401"
    },
    {
      "key": "PhysRevLett.101.046405Cc18R1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/j.physb.2007.09.048"
    },
    {
      "key": "PhysRevLett.101.046405Cc19R1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/S0065-3276(08)60541-9"
    },
    {
      "key": "PhysRevLett.101.046405Cc20R1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevLett.80.3162"
    },
    {
      "key": "PhysRevLett.101.046405Cc21R1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.56.16021"
    },
    {
      "key": "PhysRevLett.101.046405Cc22R1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1063/1.331919"
    },
    {
      "key": "PhysRevLett.101.046405Cc23R1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.42.5759"
    },
    {
      "key": "PhysRevLett.101.046405Cc24R1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/S0022-3093(98)00720-0"
    },
    {
      "key": "PhysRevLett.101.046405Cc25R1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevLett.81.377"
    },
    {
      "key": "PhysRevLett.101.046405Cc27R1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevLett.100.186401"
    },
    {
      "key": "PhysRevLett.101.046405Cc28R1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.63.054102"
    },
    {
      "key": "PhysRevLett.101.046405Cc29R1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevLett.92.046802"
    },
    {
      "key": "PhysRevLett.101.046405Cc30R1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1063/1.95351"
    },
    {
      "key": "PhysRevLett.101.046405Cc31R1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevLett.55.1414"
    }
  ],
  "container-title": "Physical Review Letters",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "http://link.aps.org/article/10.1103/PhysRevLett.101.046405",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "syndication"
    },
    {
      "URL": "http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevLett.101.046405/fulltext",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2025,
        1,
        2
      ]
    ],
    "date-time": "2025-01-02T21:42:46Z",
    "timestamp": 1735854166000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://link.aps.org/doi/10.1103/PhysRevLett.101.046405"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        2008,
        7,
        25
      ]
    ]
  },
  "references-count": 34,
  "journal-issue": {
    "issue": "4",
    "published-print": {
      "date-parts": [
        [
          2008,
          7
        ]
      ]
    }
  },
  "URL": "http://dx.doi.org/10.1103/PhysRevLett.101.046405",
  "relation": {},
  "ISSN": [
    "0031-9007",
    "1079-7114"
  ],
  "subject": [],
  "container-title-short": "Phys. Rev. Lett.",
  "published": {
    "date-parts": [
      [
        2008,
        7,
        25
      ]
    ]
  },
  "article-number": "046405"
}