## Neutrons in disordered matter: proceedings Euroconference '94 : Stockholm, Sweden, 9-13 June, 1994 |

### From inside the book

Results 1-3 of 80

Page 65

The

for

LMTO method. Thus we propose a hybrid method where electronic and

vibrational ...

The

**calculated**total energy is obtained for different a, i.e. T due to vibrations. Butfor

**calculating**electronic total energies, it is more accurate to use the ordinaryLMTO method. Thus we propose a hybrid method where electronic and

vibrational ...

Page 163

Quantitative comparison between the

factors is made through the following x2 test: x2 = - llQiSc(Qd-Q,sc{QdV nQ |=i (1)

where nQ is the number of Q points in the scattering curve and SE and Sc are the

...

Quantitative comparison between the

**calculated**and experimental structurefactors is made through the following x2 test: x2 = - llQiSc(Qd-Q,sc{QdV nQ |=i (1)

where nQ is the number of Q points in the scattering curve and SE and Sc are the

...

Page 166

The correctness of these values were checked by ensuring that the

radial distribution functions did not present either sharp cutoffs or spikes in the

low r region. A standard deviation a of 1%, close to the estimated experimental

error, ...

The correctness of these values were checked by ensuring that the

**calculated**radial distribution functions did not present either sharp cutoffs or spikes in the

low r region. A standard deviation a of 1%, close to the estimated experimental

error, ...

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### Contents

Foreword | 5 |

The structure anomaly of liquid Ga S N Rapeanu and I Padureanu | 18 |

Neutron scattering on molten GeSnTe alloys T Halm W Hinz and W Hoyer | 33 |

Copyright | |

7 other sections not shown

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alloys amorphous analysis atoms behaviour binary bond angle bond length calculated chain Chem clusters configuration constraints contribution coordination number correlation functions corresponding Cryst crystal crystalline curves determined diffraction data diffuse scattering disorder distances distribution function doped dynamics EISF elastic electronic energy EXAFS experimental data experiments fractal graphite hydration hydrogen incoherent scattering intensity interaction interatomic intrachain lattice layer liquid Me-O measured melt metallic glasses metalloid method molecular molecules neighbours neutron diffraction neutron scattering observed obtained oxygen pair correlation functions partial structure factors peak phase photons Phys Physica Scripta Physics polymer potential radial distribution function region Reverse Monte Carlo Rietveld refinement RMC model rotation Rutherford Appleton Laboratory sample scat scattering length short range order shown simulation solid structural parameters structure factor surface surfactant symmetry Table temperature tering tion titanium dioxide total structure factor wavevectors X-ray