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

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Page 65

The influence on

the electronic free energy we use ordinary LMTO band method with T as a

variable [3]. The basis contains s, p, d and f orbitals. Overlap corrections, rela-

tivistic ...

The influence on

**lattice**properties from T, is both electronic and vibrational. Forthe electronic free energy we use ordinary LMTO band method with T as a

variable [3]. The basis contains s, p, d and f orbitals. Overlap corrections, rela-

tivistic ...

Page 67

For our calculation with 2 atoms per cell (TiZr and TiV), still with fixed c/a-ratio in

hcp, we find that bcc is the most stable structure even down to 0K (the structural

energy difference with the ordered hcp

...

For our calculation with 2 atoms per cell (TiZr and TiV), still with fixed c/a-ratio in

hcp, we find that bcc is the most stable structure even down to 0K (the structural

energy difference with the ordered hcp

**lattice**is respectively of 3.9 and 10.8 mRy...

Page 93

Increasing the e/a ratio from 8.5 (FeCo) to 8.75 (Fe2NiCo) the fcc

more stable in good agreement with experiments. In Fig. 4 are shown the energy

curves vs. volume for FeCo, Fe2NiCo and Co with the fcc and bcc

Increasing the e/a ratio from 8.5 (FeCo) to 8.75 (Fe2NiCo) the fcc

**lattice**becomesmore stable in good agreement with experiments. In Fig. 4 are shown the energy

curves vs. volume for FeCo, Fe2NiCo and Co with the fcc and bcc

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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