Phase diagram and effect of excess oxygen atoms on the spin and charge ordering inLa2NiO4+δcrystals

1999 ◽  
Vol 60 (21) ◽  
pp. 14841-14846 ◽  
Author(s):  
Tôru Kyômen ◽  
Masaharu Oguni ◽  
Mitsuru Itoh ◽  
Kenzô Kitayama
Keyword(s):  
Phase Diagram ◽  
Charge Ordering ◽  
Excess Oxygen ◽  
Spin And Charge Ordering ◽  
Oxygen Atoms

scholarly journals Neutron diffraction study of spin and charge ordering in SrFeO3−δ

2012 ◽  
Vol 85 (18) ◽  
Author(s):  
M. Reehuis ◽  
C. Ulrich ◽  
A. Maljuk ◽  
Ch. Niedermayer ◽  
B. Ouladdiaf ◽  
...  
Keyword(s):  
Neutron Diffraction ◽  
Diffraction Study ◽  
Neutron Diffraction Study ◽  
Charge Ordering ◽  
Spin And Charge Ordering

scholarly journals On Prediction of a Novel Chiral Material Y2H3O(OH): A Hydroxyhydride Holding Hydridic and Protonic Hydrogens

Materials ◽  
2020 ◽  
Vol 13 (4) ◽  
pp. 994
Author(s):  
Aleksandr Pishtshev ◽  
Evgenii Strugovshchikov ◽  
Smagul Karazhanov
Keyword(s):  
Chemical Space ◽  
Charge Ordering ◽  
Optical Systems ◽  
Hydroxyl Groups ◽  
Chemical Transformations ◽  
Structure Property ◽  
Microscopic Mechanism ◽  
Structure Property Relationships ◽  
Dft Modeling ◽  
Oxygen Atoms

Examination of possible pathways of how oxygen atoms can be added to a yttrium oxyhydride system allowed us to predict new derivatives such as hydroxyhydrides possessing the composition M2H3O(OH) (M = Y, Sc, La, and Gd) in which three different anions (H-, O2−, and OH-) share the common chemical space. The crystal data of the solid hydroxyhydrides obtained on the base of DFT modeling correspond to the tetragonal structure that is characterized by the chiral space group P 4 1 . The analysis of bonding situation in M2H3O(OH) showed that the microscopic mechanism governing chemical transformations is caused by the displacements of protons which are induced by interaction with oxygen atoms incorporated into the crystal lattice of the bulk oxyhydride. The oxygen-mediated transformation causes a change in the charge state of some adjacent hydridic sites, thus forming protonic sites associated with hydroxyl groups. The predicted materials demonstrate a specific charge ordering that is associated with the chiral structural organization of the metal cations and the anions because their lattice positions form helical curves spreading along the tetragonal axis. Moreover, the effect of spatial twisting of the H- and H+ sites provides additional linking via strong dihydrogen bonds. The structure–property relationships have been investigated in terms of structural, mechanical, electron, and optical features. It was shown that good polar properties of the materials make them possible prototypes for the design of nonlinear optical systems.

Spin and charge ordering in the dimerized Hubbard model

2000 ◽  
Vol 61 (23) ◽  
pp. 15667-15675 ◽  
Author(s):  
S. Caprara ◽  
M. Avignon ◽  
O. Navarro
Keyword(s):  
Hubbard Model ◽  
Charge Ordering ◽  
Spin And Charge Ordering

scholarly journals Pressure-temperature phase diagram of charge ordering in Nd 1/2 Sr 1/2 MnO 3

2010 ◽  
Vol 92 (4) ◽  
pp. 47001 ◽  
Author(s):  
P. Maselli ◽  
D. Nicoletti ◽  
A. Nucara ◽  
F. M. Vitucci ◽  
A. Irizawa ◽  
...  
Keyword(s):  
Phase Diagram ◽  
Charge Ordering ◽  
Temperature Phase ◽  
Temperature Phase Diagram

scholarly journals Charge Ordering, Commensurability, and Metallicity in the Phase Diagram of the LayeredNaxCoO2

2004 ◽  
Vol 92 (24) ◽  
Author(s):  
Maw Lin Foo ◽  
Yayu Wang ◽  
Satoshi Watauchi ◽  
H. W. Zandbergen ◽  
Tao He ◽  
...  
Keyword(s):  
Phase Diagram ◽  
Charge Ordering

Magnetic and optical studies of spin and charge ordering in (TMTTF)2AsF6

2004 ◽  
Vol 114 ◽  
pp. 57-60 ◽  
Author(s):  
M. Dumm ◽  
B. Salameh ◽  
M. Abaker ◽  
L. K. Montgomery ◽  
M. Dressel
Keyword(s):  
Charge Ordering ◽  
Optical Studies ◽  
Spin And Charge Ordering
Sign in / Sign up

Export Citation Format

Share Document