On anharmonicity in cadmium

Field, D. W.

doi:10.1107/s0567739482000035

Cited by 5 publications

(2 citation statements)

References 6 publications

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“…The effects of anharmonic thermal vibrations on the intensities of Bragg reflections have been investigated using neutrons, X-rays and y-rays in a number of structures (see, for example, Willis & Pryor, 1975;Tanaka & Marumo, 1983). The studies of anharmonicity in hexagonal structures include those of zinc (Albanese, Deriu & Ghezzi, 1976, Merisalo & Larsen, 1977Merisalo, J/irvinen & Kurittu, 1978; Kurki-Suonio, Merisalo & Peltonen, 1979;Vah-vaselkS., 1980), cadmium (Merisalo, Peljo & Soininen, 1978;Field, 1982), beryllium (Larsen, Lehmann & Merisalo, 1980) and Li3N (Zucker & Schulz, 1982). Nizzoli (1976) has discussed anharmonicity in h.c.p.…”

Section: Introductionmentioning

confidence: 99%

Anharmonic thermal vibrations and the position parameter in wurtzite structures. I. Cadmium sulphide

Stevenson¹,

Milanko²,

Barnea³

1984

Acta Crystallogr Sect B

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Intensity measurements have been carried out with an extended-face single crystal of hexagonal CdS using Mo Ka X-radiation at room temperature. The Bragg intensities were analysed by using the oneparticle potential (OPP) within the framework of Dawson's [Proc. R. Soc. London Set. A (1967), 298, [255][256][257][258][259][260][261][262][263] generalized structure-factor formulation with allowance for cubic anharmonic effects. The position parameter in the wurtzite structure which is not determined by symmetry is evaluated, and its dependence on the temperature-factor model used is demonstrated. The most reliable determination of this position parameter, with allowance for cubic anharmonicity, is 0.37715(8). The observation of significant differences between the intensities of nonsymmetry-related reflections occurring at the same Bragg angle demonstrates the possibility of measuring the anharmonicity of thermal vibrations.

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Section: Introductionmentioning

confidence: 99%

Anharmonic thermal vibrations and the position parameter in wurtzite structures. I. Cadmium sulphide

Stevenson¹,

Milanko²,

Barnea³

1984

Acta Crystallogr Sect B

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“…In several papers on anharmonic motions of atoms, a temperature factor is used that is derived from an effective one-particle potential, abbreviated as OPP (Dawson, Hurley & Maslen, 1967), or, what is in essence the same, from an isolated-atom potential, abbreviated as IAP (Willis, 1969). For applications see Mair, Barnea, Cooper & Rouse (1974), Willis & Pryor (1975), Mair & Barnea (1975), Matsubara (1975a, b), Harada, Suzuki & Hoshino (1976), Merisalo & Larsen (1977, Whiteley, Moss & Barnea (1978), Moss, McMullan & Koetzle (1980), Field (1982), Kontio & Stevens (1982), Zucker & Schulz (1982) and other authors. Usually, in the probability density function -abbreviated p.d.f.…”

Section: Introductionmentioning

confidence: 99%

A general expression for the anharmonic temperature factor in the isolated-atom-potential approach

Scheringer¹

1985

Acta Cryst Sect A

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An explicit expression is given for the anharmonic temperature factor that is gained from an isolatedatom potential in the classical regime. Since the Boltzmann function is not generally suited to form a probability density function (p.d.f.) and its Fourier transform is generally unknown, a meaningful p.d.f. can be obtained by expanding the anharmonic terms into a series. The Fourier transform of this series, i.e.

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A Reexamination of Diffraction Data on Zinc to Determine Anharmonic Components in the One-Particle-Potential Model

Field

1983

Phys. Stat. Sol. (a)

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A reexamination of three single‐temperature sets of X‐ray and neutron diffraction data on zinc is made in the framework of the one‐particle‐potential (OPP) model to determine anharmonic parameters of the potential. An appropriate OPP for the hexagonal metal zinc is V(u) = V0 + u2 (α20K20 + β00) + u3α33K33 + u4(α40K40 + β20K20 + γ00). The fourth order anharmonic parameters α40, β20 and γ00 are found to be not significantly different from zero. The third order parameter α33 is found to be barely significant with a value with standard error of (330 ± 200) eV nm−3. This is in disagreement with previous analyses on zinc, and reasons for this are discussed. Excellent agreement is found between two of the three data sets for refined values of the harmonic parameters, r.m.s. vibration amplitudes, and Debye temperatures.

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On anharmonicity in cadmium

Cited by 5 publications

References 6 publications

Anharmonic thermal vibrations and the position parameter in wurtzite structures. I. Cadmium sulphide

Anharmonic thermal vibrations and the position parameter in wurtzite structures. I. Cadmium sulphide

A general expression for the anharmonic temperature factor in the isolated-atom-potential approach

A Reexamination of Diffraction Data on Zinc to Determine Anharmonic Components in the One-Particle-Potential Model

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