Inelastic neutron scattering an ab-initio calculation of negative thermal expansion in Ag2O

2012 ◽  
Vol 407 (12) ◽  
pp. 2146-2149 ◽  
Author(s):  
M.K. Gupta ◽  
R. Mittal ◽  
S. Rols ◽  
S.L. Chaplot
Keyword(s):  
Thermal Expansion ◽  
Neutron Scattering ◽  
Ab Initio ◽  
Ab Initio Calculation ◽  
Inelastic Neutron Scattering ◽  
Negative Thermal Expansion ◽  
Inelastic Neutron

scholarly journals Investigating anomalous thermal expansion of copper halides by inelastic neutron scattering and ab initio phonon calculations

2017 ◽  
Vol 19 (19) ◽  
pp. 12107-12116 ◽  
Author(s):  
Abhijith M. Gopakumar ◽  
M. K. Gupta ◽  
R. Mittal ◽  
S. Rols ◽  
S. L. Chaplot
Keyword(s):  
Thermal Expansion ◽  
Neutron Scattering ◽  
Ab Initio ◽  
Acoustic Phonon ◽  
Inelastic Neutron Scattering ◽  
Inelastic Neutron ◽  
Volume Dependence ◽  
Transverse Acoustic ◽  
Anomalous Thermal Expansion ◽  
Copper Halides

The volume dependence of the frequency of the soft transverse acoustic phonon explains the anomalous thermal expansion in CuX.

Negative thermal expansion in cubicZrMo2O8: Inelastic neutron scattering and lattice dynamical studies

2004 ◽  
Vol 70 (21) ◽  
Author(s):  
R. Mittal ◽  
S. L. Chaplot ◽  
H. Schober ◽  
A. I. Kolesnikov ◽  
C.-K. Loong ◽  
...  
Keyword(s):  
Thermal Expansion ◽  
Neutron Scattering ◽  
Inelastic Neutron Scattering ◽  
Negative Thermal Expansion ◽  
Inelastic Neutron

Measurement and ab initio modeling of the inelastic neutron scattering of solid N-methylformamide

1998 ◽  
Vol 108 (1) ◽  
pp. 351-358 ◽  
Author(s):  
Petr Bouř ◽  
Cheok N. Tam ◽  
Jana Sopková ◽  
Frans R. Trouw
Keyword(s):  
Neutron Scattering ◽  
Ab Initio ◽  
Inelastic Neutron Scattering ◽  
Inelastic Neutron ◽  
Ab Initio Modeling
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