scholarly journals Anomalous lattice behavior of vanadium pentaoxide (V2O5): X-ray diffraction, inelastic neutron scattering and ab initio lattice dynamics

2017 ◽  
Vol 19 (27) ◽  
pp. 17967-17984 ◽  
Author(s):  
Baltej Singh ◽  
Mayanak Kumar Gupta ◽  
Sanjay Kumar Mishra ◽  
Ranjan Mittal ◽  
P. U. Sastry ◽  
...  
Keyword(s):  
Neutron Scattering ◽  
Ab Initio ◽  
Lattice Dynamics ◽  
Inelastic Neutron Scattering ◽  
Van Der Waals ◽  
Inelastic Neutron ◽  
X Ray Diffraction ◽  
X Ray ◽  
Structure And Dynamics ◽  
Vanadium Pentaoxide

van der Waals and Hubbard interactions are found to play an important role in the structure and dynamics of α-V2O5.

Inelastic neutron scattering, lattice dynamics, and synchrotron x-ray diffraction study ofFePO4

2002 ◽  
Vol 66 (17) ◽  
Author(s):  
R. Mittal ◽  
S. L. Chaplot ◽  
A. I. Kolesnikov ◽  
C.-K. Loong ◽  
O. D. Jayakumar ◽  
...  
Keyword(s):  
Neutron Scattering ◽  
Diffraction Study ◽  
Lattice Dynamics ◽  
Inelastic Neutron Scattering ◽  
Inelastic Neutron ◽  
X Ray Diffraction ◽  
X Ray

X-ray diffraction, inelastic neutron scattering (INS) and infrared (IR) studies on 2:1 hexamethylbenzene (HMB)–tetracyanoethylene (TCNE) complex

2006 ◽  
Vol 327 (2-3) ◽  
pp. 311-318 ◽  
Author(s):  
A. Pawlukojć ◽  
W. Sawka-Dobrowolska ◽  
G. Bator ◽  
L. Sobczyk ◽  
E. Grech ◽  
...  
Keyword(s):  
Neutron Scattering ◽  
Inelastic Neutron Scattering ◽  
Inelastic Neutron ◽  
X Ray Diffraction ◽  
X Ray ◽  
Ir Studies

Ti-Zr-Ni Quasicrystals: Structure and Hydrogen Storage

1995 ◽  
Vol 400 ◽  
Author(s):  
R. M. Stroud ◽  
A. M. Viano ◽  
E. H. Majzoub ◽  
P. C. Gibbons ◽  
K. F. Kelton
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Transition Metal ◽  
Hydrogen Storage ◽  
Neutron Scattering ◽  
Inelastic Neutron Scattering ◽  
Inelastic Neutron ◽  
X Ray ◽  
Structure And Dynamics ◽  
Icosahedral Phases

AbstractTitanium-based icosahedral phases constitute the second largest class of quasicrystals. In contrast with other Ti-based icosahedral phases (i-phases), Ti-Zr-Ni i-phases are well ordered and their formation is inhibited by the presence of Si and O, elements that stabilize the Ti-3d transition metal quasicrystals. We present x-ray and DSC data that suggest that Ti-Zr-Ni i-phases form a different class of titanium-based quasicrystals that are closely related to the MgZn2 Laves phase. The DSC data also suggest that the i-phase may be stable in these alloys. The ability of Ti-Zr-Ni i-phases to absorb up to 62 atomic % of hydrogen is presented and discussed. This opens new avenues of investigation of the structure and dynamics of quasiperiodic phases using elastic and inelastic neutron scattering and nuclear magnetic resonance and may point to potential uses for quasicrystals in hydrogen storage applications.

A combined experimental inelastic neutron scattering, Raman and ab initio lattice dynamics study of α-lithium amidoborane

2011 ◽  
Vol 13 (26) ◽  
pp. 12249 ◽  
Author(s):  
Kate R. Ryan ◽  
A. J. Ramirez-Cuesta ◽  
Keith Refson ◽  
Martin O. Jones ◽  
Peter P. Edwards ◽  
...  
Keyword(s):  
Neutron Scattering ◽  
Ab Initio ◽  
Lattice Dynamics ◽  
Inelastic Neutron Scattering ◽  
Inelastic Neutron
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