DOI: 10.1557/proc-491-211. Environment-Dependent Tight-Binding Potential Model

Environment-Dependent Tight-Binding Potential Model

10.1557/proc-491-211

Crossref journal-article

Springer Science and Business Media LLC

MRS Proceedings (297)

Abstract

ABSTRACTWe have developed a tight-binding model which goes beyond the traditional two-center approximation and allows the tight-binding parameters to scale according to the bonding environment. Our studies show that this environment-dependent tight-binding model improves remarkably the accuracy and transferability of the potential to describe the structures and properties of higher coordinated metallic systems in addition to those of low coordinated covalent systems.

Bibliography

Wang, C. Z., Pan, B. C., Tang, M. S., Haas, H., SÃgalas, M., Lee, G. D., & Ho, K. M. (1997). Environment-Dependent Tight-Binding Potential Model. MRS Proceedings, 491.

Authors 7

C. Z. Wang (first)
B. C. Pan (additional)
M. S. Tang (additional)
H. Haas (additional)
M. Sígalas (additional)
G. D. Lee (additional)
K. M. Ho (additional)

References 25 Referenced 4

10.1103/PhysRevLett.53.2571
10.1016/0039-6028(96)00660-7
10.1103/PhysRevB.50.18090
Stokbro K. , Ph.D. thesis, Danish Technical University, Lyngby, Denmark, August 1994.
{'key': 'S1946427400215078_ref007', 'first-page': '6047', 'volume': '4', 'author': 'Xu', 'year': '1992', 'journal-title': 'J. Phys: Condensed Matter'} / J. Phys: Condensed Matter by Xu (1992)
{'key': 'S1946427400215078_ref023', 'volume-title': 'Semiconductors: Physics of Group IV Elements and III-V Compounds', 'author': 'Madelung', 'year': '1982'} / Semiconductors: Physics of Group IV Elements and III-V Compounds by Madelung (1982)
10.1103/PhysRevB.49.8506
10.1103/PhysRevB.47.9973
10.1103/PhysRevB.47.10895
10.1103/PhysRevB.50.10727
{'key': 'S1946427400215078_ref025', 'first-page': '8', 'volume-title': 'Light Scattering in Solids HI', 'author': 'Dresselhaus', 'year': '1982'} / Light Scattering in Solids HI by Dresselhaus (1982)
{'key': 'S1946427400215078_ref001', 'first-page': '651', 'volume': 'XCIII', 'author': 'Wang', 'year': '1996', 'journal-title': 'Adv. Chem. Phys.'} / Adv. Chem. Phys. by Wang (1996)
10.1103/PhysRevB.47.10891
{'key': 'S1946427400215078_ref005', 'first-page': '9153', 'volume': '6', 'author': 'Qiu', 'year': '1994', 'journal-title': 'J. Phys: Condens. Matter'} / J. Phys: Condens. Matter by Qiu (1994)
10.1209/0295-5075/9/7/015
10.1016/0042-207X(90)90432-X
{'key': 'S1946427400215078_ref009', 'first-page': '2193', 'volume': '3', 'author': 'Kohyama', 'year': '1991', 'journal-title': 'J. Phys: Condens. Matter'} / J. Phys: Condens. Matter by Kohyama (1991)
10.1103/PhysRevB.49.7242
10.1103/PhysRevB.50.14694
10.1103/PhysRev.94.1498
10.1103/PhysRevB.53.979
21. Haas H. , Wang C. Z.
{'key': 'S1946427400215078_ref024', 'volume-title': 'Semiconductors: Intrinsic Properties of Group IV Elements and III-V, II-VI and I-VII Compounds', 'author': 'Madelung', 'year': '1987'} / Semiconductors: Intrinsic Properties of Group IV Elements and III-V, II-VI and I-VII Compounds by Madelung (1987)
20. Pan B. C. , Wang C. Z. , and Ho K. M. , to be published.
10.1103/PhysRevB.47.9366

Dates

Type	When
Created	14 years, 4 months ago (April 5, 2011, 8:14 a.m.)
Deposited	4 years, 6 months ago (Feb. 24, 2021, 5:08 p.m.)
Indexed	2 years, 1 month ago (July 15, 2023, 1:19 a.m.)
Issued	28 years, 7 months ago (Jan. 1, 1997)
Published	28 years, 7 months ago (Jan. 1, 1997)
Published Online	14 years, 6 months ago (Feb. 10, 2011)
Published Print	28 years, 7 months ago (Jan. 1, 1997)

Funders 0

None

BibTeX

@article{Wang_1997, title={Environment-Dependent Tight-Binding Potential Model}, volume={491}, ISSN={1946-4274}, url={http://dx.doi.org/10.1557/proc-491-211}, DOI={10.1557/proc-491-211}, journal={MRS Proceedings}, publisher={Springer Science and Business Media LLC}, author={Wang, C. Z. and Pan, B. C. and Tang, M. S. and Haas, H. and Sígalas, M. and Lee, G. D. and Ho, K. M.}, year={1997} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2023,
        7,
        15
      ]
    ],
    "date-time": "2023-07-15T05:19:21Z",
    "timestamp": 1689398361205
  },
  "reference-count": 25,
  "publisher": "Springer Science and Business Media LLC",
  "license": [
    {
      "start": {
        "date-parts": [
          [
            2011,
            2,
            10
          ]
        ],
        "date-time": "2011-02-10T00:00:00Z",
        "timestamp": 1297296000000
      },
      "content-version": "unspecified",
      "delay-in-days": 5153,
      "URL": "https://www.cambridge.org/core/terms"
    }
  ],
  "content-domain": {
    "domain": [],
    "crossmark-restriction": false
  },
  "published-print": {
    "date-parts": [
      [
        1997
      ]
    ]
  },
  "abstract": "<jats:title>ABSTRACT</jats:title><jats:p>We have developed a tight-binding model which goes beyond the traditional two-center approximation and allows the tight-binding parameters to scale according to the bonding environment. Our studies show that this environment-dependent tight-binding model improves remarkably the accuracy and transferability of the potential to describe the structures and properties of higher coordinated metallic systems in addition to those of low coordinated covalent systems.</jats:p>",
  "DOI": "10.1557/proc-491-211",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2011,
        4,
        5
      ]
    ],
    "date-time": "2011-04-05T12:14:44Z",
    "timestamp": 1302005684000
  },
  "source": "Crossref",
  "is-referenced-by-count": 4,
  "title": "Environment-Dependent Tight-Binding Potential Model",
  "prefix": "10.1557",
  "volume": "491",
  "author": [
    {
      "given": "C. Z.",
      "family": "Wang",
      "sequence": "first",
      "affiliation": []
    },
    {
      "given": "B. C.",
      "family": "Pan",
      "sequence": "additional",
      "affiliation": []
    },
    {
      "given": "M. S.",
      "family": "Tang",
      "sequence": "additional",
      "affiliation": []
    },
    {
      "given": "H.",
      "family": "Haas",
      "sequence": "additional",
      "affiliation": []
    },
    {
      "given": "M.",
      "family": "S\u00edgalas",
      "sequence": "additional",
      "affiliation": []
    },
    {
      "given": "G. D.",
      "family": "Lee",
      "sequence": "additional",
      "affiliation": []
    },
    {
      "given": "K. M.",
      "family": "Ho",
      "sequence": "additional",
      "affiliation": []
    }
  ],
  "member": "297",
  "published-online": {
    "date-parts": [
      [
        2011,
        2,
        10
      ]
    ]
  },
  "reference": [
    {
      "key": "S1946427400215078_ref018",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevLett.53.2571"
    },
    {
      "key": "S1946427400215078_ref019",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/0039-6028(96)00660-7"
    },
    {
      "key": "S1946427400215078_ref017",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.50.18090"
    },
    {
      "key": "S1946427400215078_ref015",
      "unstructured": "Stokbro K. , Ph.D. thesis, Danish Technical University, Lyngby, Denmark, August 1994."
    },
    {
      "key": "S1946427400215078_ref007",
      "first-page": "6047",
      "volume": "4",
      "author": "Xu",
      "year": "1992",
      "journal-title": "J. Phys: Condensed Matter"
    },
    {
      "key": "S1946427400215078_ref023",
      "volume-title": "Semiconductors: Physics of Group IV Elements and III-V Compounds",
      "author": "Madelung",
      "year": "1982"
    },
    {
      "key": "S1946427400215078_ref012",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.49.8506"
    },
    {
      "key": "S1946427400215078_ref004",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.47.9973"
    },
    {
      "key": "S1946427400215078_ref003",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.47.10895"
    },
    {
      "key": "S1946427400215078_ref014",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.50.10727"
    },
    {
      "key": "S1946427400215078_ref025",
      "first-page": "8",
      "volume-title": "Light Scattering in Solids HI",
      "author": "Dresselhaus",
      "year": "1982"
    },
    {
      "key": "S1946427400215078_ref001",
      "first-page": "651",
      "volume": "XCIII",
      "author": "Wang",
      "year": "1996",
      "journal-title": "Adv. Chem. Phys."
    },
    {
      "key": "S1946427400215078_ref002",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.47.10891"
    },
    {
      "key": "S1946427400215078_ref005",
      "first-page": "9153",
      "volume": "6",
      "author": "Qiu",
      "year": "1994",
      "journal-title": "J. Phys: Condens. Matter"
    },
    {
      "key": "S1946427400215078_ref006",
      "doi-asserted-by": "publisher",
      "DOI": "10.1209/0295-5075/9/7/015"
    },
    {
      "key": "S1946427400215078_ref008",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/0042-207X(90)90432-X"
    },
    {
      "key": "S1946427400215078_ref009",
      "first-page": "2193",
      "volume": "3",
      "author": "Kohyama",
      "year": "1991",
      "journal-title": "J. Phys: Condens. Matter"
    },
    {
      "key": "S1946427400215078_ref010",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.49.7242"
    },
    {
      "key": "S1946427400215078_ref013",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.50.14694"
    },
    {
      "key": "S1946427400215078_ref016",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRev.94.1498"
    },
    {
      "key": "S1946427400215078_ref020",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.53.979"
    },
    {
      "key": "S1946427400215078_ref022",
      "unstructured": "21. Haas H. , Wang C. Z."
    },
    {
      "key": "S1946427400215078_ref024",
      "volume-title": "Semiconductors: Intrinsic Properties of Group IV Elements and III-V, II-VI and I-VII Compounds",
      "author": "Madelung",
      "year": "1987"
    },
    {
      "key": "S1946427400215078_ref021",
      "unstructured": "20. Pan B. C. , Wang C. Z. , and Ho K. M. , to be published."
    },
    {
      "key": "S1946427400215078_ref011",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.47.9366"
    }
  ],
  "container-title": "MRS Proceedings",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://www.cambridge.org/core/services/aop-cambridge-core/content/view/S1946427400215078",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2021,
        2,
        24
      ]
    ],
    "date-time": "2021-02-24T22:08:35Z",
    "timestamp": 1614204515000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "http://link.springer.com/10.1557/PROC-491-211"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        1997
      ]
    ]
  },
  "references-count": 25,
  "alternative-id": [
    "S1946427400215078"
  ],
  "URL": "http://dx.doi.org/10.1557/PROC-491-211",
  "relation": {},
  "ISSN": [
    "0272-9172",
    "1946-4274"
  ],
  "subject": [],
  "container-title-short": "MRS Proc.",
  "published": {
    "date-parts": [
      [
        1997
      ]
    ]
  },
  "article-number": "211"
}