Study of temperature dependent atomic correlations in MgB2

  • G. CampiEmail author
  • E. Cappelluti
  • Th. Proffen
  • X. Qiu
  • E. S. Bozin
  • S. J.L. Billinge
  • S. Agrestini
  • N. L. Saini
  • A. Bianconi
Solid and Condensed State Physics


We have studied temperature evolution of the local as well as the average crystal structure of MgB2 using real-space atomic pair distribution function (PDF) measured by high resolution neutron powder diffraction in a wide temperature range of T=10–600 K. We find small positive correlation factors for the B–B and B–Mg pairs, determined by mean-square displacements (MSD) and the mean-square relative displacements (MSRD). We analyze the PDF using both Einstein and force constant models finding a good agreement between the experimental data and the two models. This indicates that B and Mg atomic correlations are not sensitive to the details of phonon dispersion.


61.12.-q Neutron diffraction and scattering 63.20.-e Phonons in crystal lattices 74.70.Ad Metals; alloys and binary compounds (including A15, MgB2, etc.) 


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Copyright information

© EDP Sciences/Società Italiana di Fisica/Springer-Verlag 2006

Authors and Affiliations

  • G. Campi
    • 1
    Email author
  • E. Cappelluti
    • 2
    • 3
  • Th. Proffen
    • 4
  • X. Qiu
    • 5
  • E. S. Bozin
    • 5
  • S. J.L. Billinge
    • 5
  • S. Agrestini
    • 3
  • N. L. Saini
    • 3
  • A. Bianconi
    • 3
  1. 1.Istituto di Cristallografia, CNR, sezione di Monterotondo, Area della Ricerca di Roma - Montelibretti, P.O. Box 10Monterotondo St.Italy
  2. 2.Istituto dei Sistemi Complessi, CNR-INFMRomaItaly
  3. 3.Dipartimento di FisicaUniversità di Roma “La Sapienza”RomaItaly
  4. 4.Lujan Neutron Scattering Center, Los Alamos National LaboratoryLos AlamosUSA
  5. 5.Department of Physics and AstronomyMichigan State UniversityEast LansingUSA

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