IDEAS home Printed from https://ideas.repec.org/a/eee/phsmap/v234y1996i1p151-166.html
   My bibliography  Save this article

On the crystal structure problem for heavy rare-gas solids: A three-atom exchange perturbation analysis

Author

Listed:
  • Dotelli, G.
  • Jansen, L.

Abstract

The observed higher stability of a face-centered cubic (fcc) arrangement of atoms in heavy rare-gas solids, relative to that of a hexagonal close-packed (hcp) structure, is ascribed to the effect of three-atom short-range (exchange) interactions on the static lattice energy, evaluated in first- and second-order exchange perturbation theory. The summations are limited to 66 isosceles triangles with two atoms nearest neighbors of a central atom in the solid. Highly accurate results are reported, in part supplementing those of early work. An approach is taken in which the electrons of each atom are replaced by one electron on a Gaussian orbital with characteristic parameter β chosen such as to reproduce the attractive part of a Lennard-Jones (6, 12) pair potential, thus implicitly including intra- and inter-atomic electronic correlations. The results, for a wide range of values for the dimensionless parameter βR (R is the nearest-neighbour distance in the solid at ambient pressure), invariably favor the fcc lattice, with a difference between fcc and hcp amounting to 0.4% of the total pair cohesive energy for solid argon, krypton and xenon (solid neon is a border case in thisanalysis). Recent papers on the crystal stability of rare-gas solids are critically examined.

Suggested Citation

  • Dotelli, G. & Jansen, L., 1996. "On the crystal structure problem for heavy rare-gas solids: A three-atom exchange perturbation analysis," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 234(1), pages 151-166.
    • Handle: RePEc:eee:phsmap:v:234:y:1996:i:1:p:151-166
    DOI: 10.1016/S0378-4371(96)00257-9
    as

    Download full text from publisher

    File URL: http://www.sciencedirect.com/science/article/pii/S0378437196002579
    Download Restriction: Full text for ScienceDirect subscribers only. Journal offers the option of making the article available online on Science direct for a fee of $3,000
    File URL: https://libkey.io/10.1016/S0378-4371(96)00257-9?utm_source=ideas
    LibKey link: if access is restricted and if your library uses this service, LibKey will redirect you to where you can use your library subscription to access this item
    ---><---

    As the access to this document is restricted, you may want to search for a different version of it.

    References listed on IDEAS

    as
    1. W. N. Venables, 1974. "Null Distribution of the Largest Root Statistic," Journal of the Royal Statistical Society Series C, Royal Statistical Society, vol. 23(3), pages 458-465, November.
    2. Venables, W., 1976. "Some implications of the union-intersection principle for tests of sphericity," Journal of Multivariate Analysis, Elsevier, vol. 6(1), pages 185-190, March.
    3. Murrell, Peter & Green, Donald W, 1977. "Non-Price Rationing of Intermediate Goods in Centrally Planned Economies: A Comment," Econometrica, Econometric Society, vol. 45(1), pages 175-181, January.
    4. Sanyal, Kalyan K, 1983. "Vertical Specialization in a Ricardian Model with a Continuum of Stages of Production," Economica, London School of Economics and Political Science, vol. 50(197), pages 71-78, February.
    Full references (including those not matched with items on IDEAS)

    Most related items

    These are the items that most often cite the same works as this one and are cited by the same works as this one.
    1. Johnson, Robert C. & Moxnes, Andreas, 2023. "GVCs and trade elasticities with multistage production," Journal of International Economics, Elsevier, vol. 145(C).
    2. Biswajit Mandal & Sugata Marjit & Noritsugu Nakanishi, 2018. "Outsourcing, factor prices and skill formation in countries with non-overlapping time zones," Eurasian Economic Review, Springer;Eurasia Business and Economics Society, vol. 8(2), pages 289-304, August.
    3. Toru Kikuchi & Sugata Marjit & Biswajit Mandal, 2013. "Trade with Time Zone Differences: Factor Market Implications," Review of Development Economics, Wiley Blackwell, vol. 17(4), pages 699-711, November.
    4. Philipp Harms & Jaewon Jung & Oliver Lorz, 2021. "Offshoring and sequential production chains: A general equilibrium analysis," Canadian Journal of Economics/Revue canadienne d'économique, John Wiley & Sons, vol. 54(2), pages 623-647, May.
    5. Michael C. Burda & Barbara Dluhosch, 2002. "Fragmentation, Globalisation and Labour Markets," International Economic Association Series, in: David Greenaway & Richard Upward & Katharine Wakelin (ed.), Trade, Investment, Migration and Labour Market Adjustment, chapter 4, pages 47-65, Palgrave Macmillan.
    6. Bridgman, Benjamin, 2012. "The rise of vertical specialization trade," Journal of International Economics, Elsevier, vol. 86(1), pages 133-140.
    7. Giuseppe Ricciardo Lamonica, 2020. "How fragmented is the world economy: evidences from the EORA database," RIEDS - Rivista Italiana di Economia, Demografia e Statistica - The Italian Journal of Economic, Demographic and Statistical Studies, SIEDS Societa' Italiana di Economia Demografia e Statistica, vol. 74(2), pages 39-48, April-Jun.
    8. Pol Antràs & Davin Chor, 2013. "Organizing the Global Value Chain," Econometrica, Econometric Society, vol. 81(6), pages 2127-2204, November.
    9. Hummels, David & Ishii, Jun & Yi, Kei-Mu, 2001. "The nature and growth of vertical specialization in world trade," Journal of International Economics, Elsevier, vol. 54(1), pages 75-96, June.
    10. Sugata Marjit, 2013. "Trade between Similar Countries: Heterogeneous Entrepreneurs and Credit Market Imperfection," Discussion Papers Series 479, School of Economics, University of Queensland, Australia.
    11. Lionel Fontagné, 1995. "Why NAFTA Might Be Discriminatory," Working Papers 1995-12, CEPII research center.
    12. Arnaud Costinot & Jonathan Vogel & Su Wang, 2013. "An Elementary Theory of Global Supply Chains," The Review of Economic Studies, Review of Economic Studies Ltd, vol. 80(1), pages 109-144.
    13. Kemal Turkcan, 2005. "Determinants of Intra-Industry Trade in Final Goods and Intermediate Goods between Turkey and Selected OECD Countries," Istanbul University Econometrics and Statistics e-Journal, Department of Econometrics, Faculty of Economics, Istanbul University, vol. 1(1), pages 21-40, May.
    14. Nowak, Jean-Jacques & Petit, Sylvain & Sahli, Mondher, 2010. "Tourism and Globalization: The International Division of Tourism Production," MPRA Paper 75083, University Library of Munich, Germany.
    15. Jun Ishii & Kei-Mu Yi, 1997. "The growth of world trade," Research Paper 9718, Federal Reserve Bank of New York.
    16. Hamid Beladi & Avik Chakrabarti & Sugata Marjit, 2014. "Firm Heterogeneity, International Trade and Credit Market Imperfection," Discussion Papers Series 513, School of Economics, University of Queensland, Australia.
    17. SUGITA, Yoichi & 杉田, 洋一, 2017. "A Matching Theory of Global Supply Chains," Discussion paper series HIAS-E-62, Hitotsubashi Institute for Advanced Study, Hitotsubashi University.
    18. Kim Chong-Sup, 2002. "A Trade Model of Intermediate Products With Transportation Cost," International Economic Journal, Taylor & Francis Journals, vol. 16(3), pages 97-113.
    19. Sugata Marjit & Reza Oladi, 2021. "Vertical Specialization, International Task Fragmentation, and Convergence," CESifo Working Paper Series 9406, CESifo.
    20. Lionel Fontagné & Michaël Freudenberg & Deniz Ünal, 1995. "Régionalisation et échanges de biens intermédiaires," Working Papers 1995-11, CEPII research center.

    More about this item

    Statistics

    Access and download statistics

    Corrections

    All material on this site has been provided by the respective publishers and authors. You can help correct errors and omissions. When requesting a correction, please mention this item's handle: RePEc:eee:phsmap:v:234:y:1996:i:1:p:151-166. See general information about how to correct material in RePEc.

    If you have authored this item and are not yet registered with RePEc, we encourage you to do it here. This allows to link your profile to this item. It also allows you to accept potential citations to this item that we are uncertain about.

    If CitEc recognized a bibliographic reference but did not link an item in RePEc to it, you can help with this form .

    If you know of missing items citing this one, you can help us creating those links by adding the relevant references in the same way as above, for each refering item. If you are a registered author of this item, you may also want to check the "citations" tab in your RePEc Author Service profile, as there may be some citations waiting for confirmation.

    For technical questions regarding this item, or to correct its authors, title, abstract, bibliographic or download information, contact: Catherine Liu (email available below). General contact details of provider: http://www.journals.elsevier.com/physica-a-statistical-mechpplications/ .

    Please note that corrections may take a couple of weeks to filter through the various RePEc services.

    IDEAS is a RePEc service. RePEc uses bibliographic data supplied by the respective publishers.