DOI: 10.1103/physrevb.50.6442. Iron at high pressure: Linearized-augmented-plane-wave computations in the generalized-gradient approximation

Iron at high pressure: Linearized-augmented-plane-wave computations in the generalized-gradient approximation

10.1103/physrevb.50.6442

Crossref journal-article

American Physical Society (APS)

Physical Review B (16)

Bibliography

Stixrude, L., Cohen, R. E., & Singh, D. J. (1994). Iron at high pressure: Linearized-augmented-plane-wave computations in the generalized-gradient approximation. Physical Review B, 50(9), 6442â6445.

Authors 3

Lars Stixrude (first)
R. E. Cohen (additional)
D. J. Singh (additional)

References 43 Referenced 224

10.1146/annurev.ea.18.050190.002041 / Ann. Rev. Earth Planet. Sci. by R. Jeanloz (1990)
10.1038/356309a0 / Nature (London) by K. C. Creager (1992)
10.1038/366678a0 / Nature (London) by J. Tromp (1993)
{'key': 'PhysRevB.50.6442Cc3R1', 'volume-title': "The Earth's Magnetic Field", 'author': 'R. T. Merrill', 'year': '1983'} / The Earth's Magnetic Field by R. T. Merrill (1983)
10.1126/science.236.4798.181 / Science by Q. Williams (1987)
10.1038/363534a0 / Nature (London) by R. Boehler (1993)
10.1126/science.260.5112.1312 / Science by S. K. Saxena (1993)
10.1029/JB091iB07p07485 / J. Geophys. Res. by J. M. Brown (1986)
10.1103/PhysRevLett.70.3931 / Phys. Rev. Lett. by C. S. Yoo (1993)
10.1103/PhysRevB.45.13293 / Phys. Rev. B by M. Körling (1992)
10.1103/PhysRevLett.54.1852 / Phys. Rev. Lett. by C. S. Wang (1985)
10.1103/PhysRevB.13.4274 / Phys. Rev. B by O. Gunnarsson (1976)
10.1103/PhysRevLett.47.446 / Phys. Rev. Lett. by D. C. Langreth (1981)
10.1103/PhysRevB.28.1809 / Phys. Rev. B. by D. C. Langreth (1983)
10.1103/PhysRevB.29.2310.2 / Phys. Rev. B. by D. C. Langreth (1984)
10.1088/0031-8949/32/4/024 / Phys. Scr. by C. D. Hu (1985)
10.1103/PhysRevB.33.8822 / Phys. Rev. B by J. P. Perdew (1986)
10.1103/PhysRevB.40.3399 / Phys. Rev. B by J. P. Perdew (1989)
10.1103/PhysRevB.33.8822 / Phys. Rev. B by J. P. Perdew (1986)
10.1103/PhysRevB.34.7406 / Phys. Rev. B by J. P. Perdew (1986)
10.1103/PhysRevB.46.6671 / Phys. Rev. B by J. P. Perdew (1992)
10.1002/qua.560190306 / Int. J. Quantum Chem. by E. H. Lieb (1981)
10.1103/PhysRevA.43.4637 / Phys. Rev. A by M. Levy (1991)
10.1103/PhysRevB.40.1997 / Phys. Rev. B by P. Bagno (1989)
10.1088/0953-8984/2/37/005 / J. Phys. Condens. Matter by B. Barbiellini (1990)
10.1103/PhysRevB.44.2923 / Phys. Rev. B by T. C. Leung (1991)
10.1103/PhysRevB.43.11628 / Phys. Rev. B by D. J. Singh (1991)
10.1103/PhysRevB.46.1870 / Phys. Rev. B by C. Amador (1992)
10.1103/PhysRevB.46.13599 / Phys. Rev. B by T. Asada (1992)
10.1103/PhysRevB.47.566 / Phys. Rev. B by J. Häglund (1993)
10.1029/JB091iB05p04677 / J. Geophys. Res. by A. P. Jephcoat (1986)
10.1029/JB095iB13p21737 / J. Geophys. Res. by H. K. Mao (1990)
10.1103/PhysRevLett.55.1200 / Phys. Rev. Lett. by S. Wei (1985)
10.1088/0022-3719/5/13/012 / J. Phys. C by U. von Barth (1972)
10.1103/PhysRevB.43.6388 / Phys. Rev. B by D. Singh (1991)
10.1103/PhysRevB.7.5212 / Phys. Rev. B by A. Baldereschi (1973)
10.1103/PhysRevB.8.5747 / Phys. Rev. B by D. J. Chadi (1973)
10.1103/PhysRevB.13.5188 / Phys. Rev. B by H. J. Monkhorst (1976)
{'key': 'PhysRevB.50.6442Cc29R1', 'first-page': '164', 'volume': '64', 'author': 'B. Barbiellini', 'year': '1991', 'journal-title': 'Helv. Phys. Acta'} / Helv. Phys. Acta by B. Barbiellini (1991)
10.1103/PhysRevB.46.11570 / Phys. Rev. B by D. J. Singh (1992)
10.1029/JB095iB13p21713 / J. Geophys. Res. by M. Ross (1990)
10.1029/JZ057i002p00227 / J. Geophys. Res. by F. Birch (1952)
10.1016/0022-3697(68)90131-5 / J. Phys. Chem. Solids by M. W. Guinan (1968)

Dates

Type	When
Created	23 years ago (July 26, 2002, 11:35 p.m.)
Deposited	7 years, 8 months ago (Dec. 10, 2017, 2:30 a.m.)
Indexed	2 weeks, 1 day ago (Aug. 6, 2025, 9:09 a.m.)
Issued	30 years, 11 months ago (Sept. 1, 1994)
Published	30 years, 11 months ago (Sept. 1, 1994)
Published Online	30 years, 11 months ago (Sept. 1, 1994)

Funders 0

None

BibTeX

@article{Stixrude_1994, title={Iron at high pressure: Linearized-augmented-plane-wave computations in the generalized-gradient approximation}, volume={50}, ISSN={1095-3795}, url={http://dx.doi.org/10.1103/physrevb.50.6442}, DOI={10.1103/physrevb.50.6442}, number={9}, journal={Physical Review B}, publisher={American Physical Society (APS)}, author={Stixrude, Lars and Cohen, R. E. and Singh, D. J.}, year={1994}, month=sep, pages={6442–6445} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2025,
        8,
        6
      ]
    ],
    "date-time": "2025-08-06T13:09:51Z",
    "timestamp": 1754485791379
  },
  "reference-count": 43,
  "publisher": "American Physical Society (APS)",
  "issue": "9",
  "license": [
    {
      "start": {
        "date-parts": [
          [
            1994,
            9,
            1
          ]
        ],
        "date-time": "1994-09-01T00:00:00Z",
        "timestamp": 778377600000
      },
      "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/physrevb.50.6442",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2002,
        7,
        27
      ]
    ],
    "date-time": "2002-07-27T03:35:48Z",
    "timestamp": 1027740948000
  },
  "page": "6442-6445",
  "source": "Crossref",
  "is-referenced-by-count": 224,
  "title": "Iron at high pressure: Linearized-augmented-plane-wave computations in the generalized-gradient approximation",
  "prefix": "10.1103",
  "volume": "50",
  "author": [
    {
      "given": "Lars",
      "family": "Stixrude",
      "sequence": "first",
      "affiliation": []
    },
    {
      "given": "R. E.",
      "family": "Cohen",
      "sequence": "additional",
      "affiliation": []
    },
    {
      "given": "D. J.",
      "family": "Singh",
      "sequence": "additional",
      "affiliation": []
    }
  ],
  "member": "16",
  "published-online": {
    "date-parts": [
      [
        1994,
        9,
        1
      ]
    ]
  },
  "reference": [
    {
      "key": "PhysRevB.50.6442Cc1R1",
      "doi-asserted-by": "crossref",
      "first-page": "357",
      "DOI": "10.1146/annurev.ea.18.050190.002041",
      "volume": "18",
      "author": "R. Jeanloz",
      "year": "1990",
      "journal-title": "Ann. Rev. Earth Planet. Sci."
    },
    {
      "key": "PhysRevB.50.6442Cc2R1",
      "doi-asserted-by": "crossref",
      "first-page": "309",
      "DOI": "10.1038/356309a0",
      "volume": "356",
      "author": "K. C. Creager",
      "year": "1992",
      "journal-title": "Nature (London)"
    },
    {
      "key": "PhysRevB.50.6442Cc2R2",
      "doi-asserted-by": "crossref",
      "first-page": "678",
      "DOI": "10.1038/366678a0",
      "volume": "366",
      "author": "J. Tromp",
      "year": "1993",
      "journal-title": "Nature (London)"
    },
    {
      "key": "PhysRevB.50.6442Cc3R1",
      "volume-title": "The Earth's Magnetic Field",
      "author": "R. T. Merrill",
      "year": "1983"
    },
    {
      "key": "PhysRevB.50.6442Cc4R1",
      "doi-asserted-by": "crossref",
      "first-page": "181",
      "DOI": "10.1126/science.236.4798.181",
      "volume": "236",
      "author": "Q. Williams",
      "year": "1987",
      "journal-title": "Science"
    },
    {
      "key": "PhysRevB.50.6442Cc5R1",
      "doi-asserted-by": "crossref",
      "first-page": "534",
      "DOI": "10.1038/363534a0",
      "volume": "363",
      "author": "R. Boehler",
      "year": "1993",
      "journal-title": "Nature (London)"
    },
    {
      "key": "PhysRevB.50.6442Cc6R1",
      "doi-asserted-by": "crossref",
      "first-page": "1312",
      "DOI": "10.1126/science.260.5112.1312",
      "volume": "260",
      "author": "S. K. Saxena",
      "year": "1993",
      "journal-title": "Science"
    },
    {
      "key": "PhysRevB.50.6442Cc7R1",
      "doi-asserted-by": "crossref",
      "first-page": "7485",
      "DOI": "10.1029/JB091iB07p07485",
      "volume": "91",
      "author": "J. M. Brown",
      "year": "1986",
      "journal-title": "J. Geophys. Res."
    },
    {
      "key": "PhysRevB.50.6442Cc7R2",
      "doi-asserted-by": "crossref",
      "first-page": "3931",
      "DOI": "10.1103/PhysRevLett.70.3931",
      "volume": "70",
      "author": "C. S. Yoo",
      "year": "1993",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "PhysRevB.50.6442Cc8R1",
      "doi-asserted-by": "crossref",
      "first-page": "13293",
      "DOI": "10.1103/PhysRevB.45.13293",
      "volume": "45",
      "author": "M. K\u00f6rling",
      "year": "1992",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "PhysRevB.50.6442Cc9R1",
      "doi-asserted-by": "crossref",
      "first-page": "1852",
      "DOI": "10.1103/PhysRevLett.54.1852",
      "volume": "54",
      "author": "C. S. Wang",
      "year": "1985",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "PhysRevB.50.6442Cc10R1",
      "doi-asserted-by": "crossref",
      "first-page": "4274",
      "DOI": "10.1103/PhysRevB.13.4274",
      "volume": "13",
      "author": "O. Gunnarsson",
      "year": "1976",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "PhysRevB.50.6442Cc11R1",
      "doi-asserted-by": "crossref",
      "first-page": "446",
      "DOI": "10.1103/PhysRevLett.47.446",
      "volume": "47",
      "author": "D. C. Langreth",
      "year": "1981",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "PhysRevB.50.6442Cc11R2",
      "doi-asserted-by": "crossref",
      "first-page": "1809",
      "DOI": "10.1103/PhysRevB.28.1809",
      "volume": "28",
      "author": "D. C. Langreth",
      "year": "1983",
      "journal-title": "Phys. Rev. B."
    },
    {
      "key": "PhysRevB.50.6442Cc11R3",
      "doi-asserted-by": "crossref",
      "first-page": "2310",
      "DOI": "10.1103/PhysRevB.29.2310.2",
      "volume": "29",
      "author": "D. C. Langreth",
      "year": "1984",
      "journal-title": "Phys. Rev. B."
    },
    {
      "key": "PhysRevB.50.6442Cc11R4",
      "doi-asserted-by": "crossref",
      "first-page": "391",
      "DOI": "10.1088/0031-8949/32/4/024",
      "volume": "32",
      "author": "C. D. Hu",
      "year": "1985",
      "journal-title": "Phys. Scr."
    },
    {
      "key": "PhysRevB.50.6442Cc12R1",
      "doi-asserted-by": "crossref",
      "first-page": "8822",
      "DOI": "10.1103/PhysRevB.33.8822",
      "volume": "33",
      "author": "J. P. Perdew",
      "year": "1986",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "PhysRevB.50.6442Cc12R2",
      "doi-asserted-by": "crossref",
      "first-page": "3399",
      "DOI": "10.1103/PhysRevB.40.3399",
      "volume": "40",
      "author": "J. P. Perdew",
      "year": "1989",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "PhysRevB.50.6442Cc12R3",
      "doi-asserted-by": "crossref",
      "first-page": "8822",
      "DOI": "10.1103/PhysRevB.33.8822",
      "volume": "33",
      "author": "J. P. Perdew",
      "year": "1986",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "PhysRevB.50.6442Cc12R4",
      "doi-asserted-by": "crossref",
      "first-page": "7406",
      "DOI": "10.1103/PhysRevB.34.7406",
      "volume": "34",
      "author": "J. P. Perdew",
      "year": "1986",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "PhysRevB.50.6442Cc13R1",
      "doi-asserted-by": "crossref",
      "first-page": "6671",
      "DOI": "10.1103/PhysRevB.46.6671",
      "volume": "46",
      "author": "J. P. Perdew",
      "year": "1992",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "PhysRevB.50.6442Cc14R1",
      "doi-asserted-by": "crossref",
      "first-page": "427",
      "DOI": "10.1002/qua.560190306",
      "volume": "19",
      "author": "E. H. Lieb",
      "year": "1981",
      "journal-title": "Int. J. Quantum Chem."
    },
    {
      "key": "PhysRevB.50.6442Cc15R1",
      "doi-asserted-by": "crossref",
      "first-page": "4637",
      "DOI": "10.1103/PhysRevA.43.4637",
      "volume": "43",
      "author": "M. Levy",
      "year": "1991",
      "journal-title": "Phys. Rev. A"
    },
    {
      "key": "PhysRevB.50.6442Cc16R1",
      "doi-asserted-by": "crossref",
      "first-page": "1997",
      "DOI": "10.1103/PhysRevB.40.1997",
      "volume": "40",
      "author": "P. Bagno",
      "year": "1989",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "PhysRevB.50.6442Cc17R1",
      "doi-asserted-by": "crossref",
      "first-page": "7597",
      "DOI": "10.1088/0953-8984/2/37/005",
      "volume": "2",
      "author": "B. Barbiellini",
      "year": "1990",
      "journal-title": "J. Phys. Condens. Matter"
    },
    {
      "key": "PhysRevB.50.6442Cc18R1",
      "doi-asserted-by": "crossref",
      "first-page": "2923",
      "DOI": "10.1103/PhysRevB.44.2923",
      "volume": "44",
      "author": "T. C. Leung",
      "year": "1991",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "PhysRevB.50.6442Cc19R1",
      "doi-asserted-by": "crossref",
      "first-page": "11628",
      "DOI": "10.1103/PhysRevB.43.11628",
      "volume": "43",
      "author": "D. J. Singh",
      "year": "1991",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "PhysRevB.50.6442Cc20R1",
      "doi-asserted-by": "crossref",
      "first-page": "1870",
      "DOI": "10.1103/PhysRevB.46.1870",
      "volume": "46",
      "author": "C. Amador",
      "year": "1992",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "PhysRevB.50.6442Cc21R1",
      "doi-asserted-by": "crossref",
      "first-page": "13599",
      "DOI": "10.1103/PhysRevB.46.13599",
      "volume": "46",
      "author": "T. Asada",
      "year": "1992",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "PhysRevB.50.6442Cc22R1",
      "doi-asserted-by": "crossref",
      "first-page": "566",
      "DOI": "10.1103/PhysRevB.47.566",
      "volume": "47",
      "author": "J. H\u00e4glund",
      "year": "1993",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "PhysRevB.50.6442Cc23R1",
      "doi-asserted-by": "crossref",
      "first-page": "4677",
      "DOI": "10.1029/JB091iB05p04677",
      "volume": "91",
      "author": "A. P. Jephcoat",
      "year": "1986",
      "journal-title": "J. Geophys. Res."
    },
    {
      "key": "PhysRevB.50.6442Cc24R1",
      "doi-asserted-by": "crossref",
      "first-page": "21737",
      "DOI": "10.1029/JB095iB13p21737",
      "volume": "95",
      "author": "H. K. Mao",
      "year": "1990",
      "journal-title": "J. Geophys. Res."
    },
    {
      "key": "PhysRevB.50.6442Cc25R1",
      "doi-asserted-by": "crossref",
      "first-page": "1200",
      "DOI": "10.1103/PhysRevLett.55.1200",
      "volume": "55",
      "author": "S. Wei",
      "year": "1985",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "PhysRevB.50.6442Cc26R1",
      "doi-asserted-by": "crossref",
      "first-page": "1629",
      "DOI": "10.1088/0022-3719/5/13/012",
      "volume": "5",
      "author": "U. von Barth",
      "year": "1972",
      "journal-title": "J. Phys. C"
    },
    {
      "key": "PhysRevB.50.6442Cc27R1",
      "doi-asserted-by": "crossref",
      "first-page": "6388",
      "DOI": "10.1103/PhysRevB.43.6388",
      "volume": "43",
      "author": "D. Singh",
      "year": "1991",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "PhysRevB.50.6442Cc28R1",
      "doi-asserted-by": "crossref",
      "first-page": "5212",
      "DOI": "10.1103/PhysRevB.7.5212",
      "volume": "7",
      "author": "A. Baldereschi",
      "year": "1973",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "PhysRevB.50.6442Cc28R2",
      "doi-asserted-by": "crossref",
      "first-page": "5747",
      "DOI": "10.1103/PhysRevB.8.5747",
      "volume": "8",
      "author": "D. J. Chadi",
      "year": "1973",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "PhysRevB.50.6442Cc28R3",
      "doi-asserted-by": "crossref",
      "first-page": "5188",
      "DOI": "10.1103/PhysRevB.13.5188",
      "volume": "13",
      "author": "H. J. Monkhorst",
      "year": "1976",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "PhysRevB.50.6442Cc29R1",
      "first-page": "164",
      "volume": "64",
      "author": "B. Barbiellini",
      "year": "1991",
      "journal-title": "Helv. Phys. Acta"
    },
    {
      "key": "PhysRevB.50.6442Cc30R1",
      "doi-asserted-by": "crossref",
      "first-page": "11570",
      "DOI": "10.1103/PhysRevB.46.11570",
      "volume": "46",
      "author": "D. J. Singh",
      "year": "1992",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "PhysRevB.50.6442Cc31R1",
      "doi-asserted-by": "crossref",
      "first-page": "21713",
      "DOI": "10.1029/JB095iB13p21713",
      "volume": "95",
      "author": "M. Ross",
      "year": "1990",
      "journal-title": "J. Geophys. Res."
    },
    {
      "key": "PhysRevB.50.6442Cc32R1",
      "doi-asserted-by": "crossref",
      "first-page": "227",
      "DOI": "10.1029/JZ057i002p00227",
      "volume": "57",
      "author": "F. Birch",
      "year": "1952",
      "journal-title": "J. Geophys. Res."
    },
    {
      "key": "PhysRevB.50.6442Cc33R1",
      "doi-asserted-by": "crossref",
      "first-page": "541",
      "DOI": "10.1016/0022-3697(68)90131-5",
      "volume": "29",
      "author": "M. W. Guinan",
      "year": "1968",
      "journal-title": "J. Phys. Chem. Solids"
    }
  ],
  "container-title": "Physical Review B",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "http://link.aps.org/article/10.1103/PhysRevB.50.6442",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "syndication"
    },
    {
      "URL": "http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.50.6442/fulltext",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2017,
        12,
        10
      ]
    ],
    "date-time": "2017-12-10T07:30:33Z",
    "timestamp": 1512891033000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://link.aps.org/doi/10.1103/PhysRevB.50.6442"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        1994,
        9,
        1
      ]
    ]
  },
  "references-count": 43,
  "journal-issue": {
    "issue": "9",
    "published-print": {
      "date-parts": [
        [
          1994,
          9
        ]
      ]
    }
  },
  "URL": "http://dx.doi.org/10.1103/PhysRevB.50.6442",
  "relation": {},
  "ISSN": [
    "0163-1829",
    "1095-3795"
  ],
  "subject": [],
  "container-title-short": "Phys. Rev. B",
  "published": {
    "date-parts": [
      [
        1994,
        9,
        1
      ]
    ]
  }
}