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  • 1
    Electronic Resource
    Electronic Resource
    Anharmonic non-Gaussian contribution to the Debye–Waller factor for NaCl (1971)
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 27 (1971), S. 238-243 
    Details
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: Measurement and theoretical estimate of the anharmonic non-quadratic contribution to the Debye–Waller factor for NaCl are reported. For the experiment the Mössbauer γ-ray diffraction technique was used to find the elastic diffracted intensity separated from the thermal diffuse scattering. The theoretical treatment makes use of the asymptotic form of the displacement correlation functions to give simple explicit expressions for the non-quadratic term. The role of the relevant lattice dynamical parameters is discussed. The deviation from the Gaussian form of the Debye–Waller factor is shown to be large enough to be observed, and the possibility of estimating the third-order anharmonic coupling constant from such a measurement is indicated.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S056773947100055X
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  • 2
    Electronic Resource
    Electronic Resource
    Debye–Waller coefficient of KCl by the powder neutron diffraction method (1974)
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 30 (1974), S. 662-667 
    Details
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The neutron diffraction pattern of powdered KCl has been measured using the triple-axis spectrometer both in the double-axis and the triple-axis modes. The thermal diffuse scattering (TDS) correction, which is very important in the double-axis pattern, is essentially eliminated in the triple-axis mode. Theoretical calculations are presented which give the relative TDS correction for the two cases by calculating the energy distribution of TDS. The Debye-Waller coefficient B using the triple-axis data is found to be (2.17 ± 0.16 Å2), which is in agreement with the TDS-corrected values of other workers.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0567739474001586
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  • 3
    Electronic Resource
    Electronic Resource
    Anharmonic non-Gaussian contribution to the Debye–Waller factor. II. KCl (1973)
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 29 (1973), S. 228-231 
    Details
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: Mössbauer γ-ray diffraction data obtained by the technique of O'Connor & Butt [Phys. Lett. (1963), 7, 233-235] are analysed to deduce the anharmonic fourth-order term in the Debye-Waller factor for KCI and to estimate the third-order anharmonic coupling constant in this way. The theoretical treatment assumes that the displacement correlation function can be approximated by its large-distance asymptotic value. For the anharmonic coupling parameter φIII an estimate of - 6.2 × 1013 erg cm-3 is found, which differs by a factor of about 6 from that given previously by Leibfried & Ludwig.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0567739473000604
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  • 4
    Electronic Resource
    Electronic Resource
    The Debye–Waller parameter (\overline{\it B}) of TlCl by powder elastic neutron diffraction (1980)
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 36 (1980), S. 147-148 
    Details
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The mean Debye-Waller parameter {\bar {\it B}}of TlCl has been determined by double- as well as triple-axis neutron diffraction for a powder sample. Thermal diffuse scattering (TDS) corrections have also been made to the intensity of the diffraction peaks obtained by these techniques. TDS was found negligible in the triple-axis diffraction pattern as expected. The {\bar {\it B}} values thus found are 3.08 ± 0.43 and 3.07 ± 0.22 Å2, respectively, for double- and triple-axis methods. These values are in good agreement with those found by recent X- ray diffraction measurements.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0567739480000241
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  • 5
    Electronic Resource
    Electronic Resource
    Compilation of temperature factors of cubic elements (1988)
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 44 (1988), S. 396-399 
    Details
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: A compilation is presented of the temperature factors of 22 cubic elements. This represents the first stage of a Temperature Factor project initiated by the Neutron Diffraction Commission of the International Union of Crystallography [Acta Cryst. (1985), B41, 374].
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0108767387011929
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  • 6
    Electronic Resource
    Electronic Resource
    The Debye–Waller factors of sodium chloride (1973)
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 29 (1973), S. 727-728 
    Details
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The Debye-Waller temperature factors BNa and BCl for NaCl have been measured by powder neutron diffraction at 4.2 and 295°K. The values obtained at room temperature agree with those given by earlier X-ray determinations, but are slightly higher than the calculated values of Reid & Smith [J. Phys. Chem. Solids. (1970). 31, 2689-2697].
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0567739473001798
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  • 7
    Electronic Resource
    Electronic Resource
    The Debye–Waller factor of KBr by powder elastic neutron diffraction (1976)
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 32 (1976), S. 674-675 
    Details
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The Debye-Waller parameter B of KBr has been determined by triple-axis neutron diffraction with a powder sample. Calculations have also been made to find the contributions of TDS to the diffraction peaks obtained by this technique and they were found to be negligible as expected. The B value thus found is 2.33 ± 0.09 Å2.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0567739476001435
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  • 8
    Electronic Resource
    Electronic Resource
    Debye–Waller factors of KBr at 4.2 and 295 K (1978)
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 34 (1978), S. 840-842 
    Details
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The Debye-Waller factors of KBr have been determined both by X-ray and by neutron diffraction methods. Previous experiments have been carried out at or above room temperature. No such measurements have been reported at 4.2 K. Neutron diffraction experiments on a KBr powder at 295 and 4.2 K are reported here. The experimental results obtained were BK = 2.55 ± 0.07, BBr = 2.20 ± 0.04 Å2 at T = 295 K, and BK = 0.43 ± 0.05, BBr = 0.35 ± 0.02 Å2 at 4.2 K. These values differ from the theoretical estimates of Reid & Smith [J. Phys. Chem. Solids (1970), 31, 2689-2697], based on a quasiharmonic approximation using the shell model. The discrepancy may be attributed to the partial neglect of anharmonicity in the theoretical estimates.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0567739478001771
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  • 9
    Electronic Resource
    Electronic Resource
    Debye–Waller factors of CuBr by powder neutron diffraction at 295 K (1978)
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 34 (1978), S. 759-761 
    Details
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: Zinc blende structures are of interest because of their semiconducting properties. Lattice dynamical properties of copper halides which belong to this class of structures have recently been studied. A powder neutron diffraction study of the Debye-Waller factors of the cubic (zinc blende) γ phase of CuBr is reported here. The diffraction pattern was obtained on the high-resolution diffractometer PANDA installed at the PLUTO reactor, Harwell. A neutron wavelength of 1.524 Å was used in the experiment. The B factors determined were BCu = 2.85 ± 0.33 and BBr = 2.71 ± 0.33 Å2. A mean value {\bar B} = Σ miBi/Σ mi = 2.77 Å2, i = Cu, Br, gives the corresponding Debye temperature of 131 ± 8 K.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0567739478001564
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  • 10
    Electronic Resource
    Electronic Resource
    Debye–Waller factors and Debye temperature of ZnTe (1988)
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 44 (1988), S. 638-639 
    Details
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: Accurate measurements were made to determine the Debye temperature and Debye-Waller factors for powder ZnTe by the method of elastic neutron diffraction, using a triple-axis neutron spectrometer. Measurements were made with neutrons of wavelength 1.17 Å and corrections were made for the thermal diffuse scattering. The values of the Debye-Waller factors are BZn = 1.26 (5) and BTe = 0.74 (5) Å2. The mass-weighted mean value \bar B is 0.91 (5) Å2 which corresponds to a Debye temperature Θ = 198 (5)K. The results are in good agreement with the values determined by Cooper, Rouse & Fuess [Acta Cryst. (1973), A29, 44-56] using single-crystal neutron diffraction techniques.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0108767388003204
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