Study of temperature dependent atomic correlations in MgB2. Campi, G., Cappelluti, E., Proffen, T., Qiu, X., Bozin, E. S., Billinge, Agrestini, S., Saini, N. L., & Bianconi, A. The European Physical Journal B - Condensed Matter and Complex Systems, 52(1):15–21, 2006.
Study of temperature dependent atomic correlations in MgB2 [link]Paper  doi  abstract   bibtex   
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.
@article{campi_study_2006,
	title = {Study of temperature dependent atomic correlations in {MgB}2},
	volume = {52},
	issn = {1434-6028},
	url = {http://dx.doi.org/10.1140/epjb/e2006-00269-7},
	doi = {10.1140/epjb/e2006-00269-7},
	abstract = {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.},
	number = {1},
	journal = {The European Physical Journal B - Condensed Matter and Complex Systems},
	author = {Campi, G. and Cappelluti, E. and Proffen, Th and Qiu, X. and Bozin, E. S. and {Billinge} and Agrestini, S. and Saini, N. L. and Bianconi, A.},
	year = {2006},
	keywords = {diboride, inhomogeneity, lattice-distortions, local, neutron},
	pages = {15--21}
}
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