The Effect of Anharmonic Vibration on the Debye-Waller Factor and the Diffuse Scattering of X-Rays

Kashiwase, Yasuji

doi:10.1143/jpsj.20.320

Cited by 21 publications

(8 citation statements)

References 4 publications

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“…This approach is extremely useful for estimating the anharmonicity in the thermal vibration without the complexity of rigorous treatments such as those of Maradudin & Flinn (1963) and Kashiwase (1965).…”

Section: Introductionmentioning

confidence: 99%

Neutron diffraction study of asymmetric anharmonic vibration of the copper atom in cuprous chloride

Sakata¹,

Hoshino²,

Harada³

1974

Acta Cryst Sect A

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Neutron diffraction measurements of CuCI with the zincblende structure were carried out at room temperature and the results examined on the basis of three possible structure models: (1) harmonic thermal vibration of atoms, (2) asymmetric anharmonic vibrations and (3) statistical disorder arrangement of the copper atom. It was found that the anharmonic model was the most plausible for the structure of CuC1. The final R value in the least-squares analysis was 0.037. The parameters in the effective oneatomic-potential fields for the zincblende structure Vj(r) = 1 2 2 ... Voj + :r~s(ul + uz + u~) + Psu~u2u3 +were obtained as ~cu=0.74+0.01, ~c,=1.35+0.02x 10-nerg /~-2, and flcu=l'15+0.66, flc~=0.0+ 1.6 × 10-12erg A -3. It is also shown that the temperature dependence of the Bragg reflexion observed from room temperature to 523 °K can be explained very well with the use of the above parameters.

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Section: Introductionmentioning

confidence: 99%

Neutron diffraction study of asymmetric anharmonic vibration of the copper atom in cuprous chloride

Sakata¹,

Hoshino²,

Harada³

1974

Acta Cryst Sect A

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“…For solving the direct problem of X-ray diffraction in the rather general anharmonic approximation for thermal atomic vibrations the perturbation theory is usually used [4]. ') Miusskaya pl.…”

Section: Theory and General Resultsmentioning

confidence: 99%

“…The expression for aT has been derived also in [4] without taking into account the term I:,,, in (3) and has been presented in the following form:…”

Section: Results Applicable For Numerical Calculationsmentioning

confidence: 99%

Anharmonic Effects in the Thermal Diffuse Scattering of X‐Rays

Tsarkov¹,

Tsirelson²

1991

Physica Status Solidi (b)

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The thermal diffuse scattering (TDS) of X-rays in the anharmonic one-phonon and harmonic two-phonon approximations is considered. The complete expression for the one-phonon intensity of X-rays is derived by perturbation theory and presented for a polyatomic crystal in the high-temperature limit. The method of evaluating the corrections of the X-rays intensities for the thermal diffuse scattering is given and the importance taking into account the anharmonic effects in the one-phonon scattering for KZnF,, CsCl, and YBa,Cu,O, crystals at room temperature is discussed. Anharmonic TDS-effects achieve considerable magnitudes for soft (acoustic) anharmonic crystals as CsCI.PaCCMOTpeHO TenJIOBOe AH@@y3HOe PaCCeXHAe PeHTreHOBCKHX JIyYeg B aHrapMOHHYeCKOM OnHO-(POHOHHOM I4 rapMOHHYeCKOM ABYX(POHOHH0M n p~6 n~~e~n f l x .c IIOMOUIbK) TeOpUU BO3MYlLleHHG

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“…Kashiwase (1965) and Willis (1969)]. The experimental conditions listed in Table 1 for KC1 are those used by Willis (1969) [see also Nilsson (1957) and ].…”

Section: Comparison Of Experiments and Theorymentioning

confidence: 99%