scholarly journals Jahn–Teller Effect, Crystal Structure and High Temperature Raman Spectroscopy Studies of Ba<sub>2-x</sub>Sr<sub>x</sub>CuWO<sub>6</sub> (0 &le; x&le; 2) Double Perovskite Oxide.

2014 ◽  
Vol 04 (04) ◽  
pp. 61-74
Author(s):  
Amine Ezzahi ◽  
Abdellah Elmchaouri
Keyword(s):  
Crystal Structure ◽  
Raman Spectroscopy ◽  
High Temperature ◽  
Double Perovskite ◽  
Teller Effect ◽  
Perovskite Oxide ◽  
Jahn Teller ◽  
Jahn Teller Effect ◽  
Spectroscopy Studies

DFT Analysis of the Indium-Antimony-Vacancy Cluster in Silicon

2005 ◽  
Vol 245-246 ◽  
pp. 29-38 ◽  
Author(s):  
M.M. De Souza ◽  
Jonathan P. Goss
Keyword(s):  
High Temperature ◽  
Binding Energy ◽  
Vacancy Cluster ◽  
Antimony Atom ◽  
Teller Effect ◽  
High Temperature Anneal ◽  
Jahn Teller ◽  
Jahn Teller Effect ◽  
Low Symmetry ◽  
Strong Binding Energy

A cluster comprising of indium, antimony and a vacancy in silicon is analysed using the planewave pseudopotential technique. This cluster has a strong binding energy that inhibits indium diffusion after high temperature anneal cycles. Difficulties associated with the simulation of a vacancy using the supercell approach are initially highlighted. In comparison, the indium-antimony-vacancy cluster reveals stronger distortions and reduction in relaxation volume. The indium atom in the relaxed cluster shows nearly six-fold coordination whereas the antimony atom acquires four neighbours. Due to the low symmetry of the centre, in constrast to the isolated vacancy there is no propensity for a Jahn-Teller effect. It gives rise to two defect levels in the bandgap.

ChemInform Abstract: Synthesis, Structure, and High Temperature Moessbauer and Raman Spectroscopy Studies of Ba1.6Sr1.4Fe2WO9 Double Perovskite.

ChemInform ◽  
2010 ◽  
Vol 41 (50) ◽  
pp. no-no
Author(s):  
B. Manoun ◽  
S. Benmokhtar ◽  
L. Bih ◽  
M. Azrour ◽  
A. Ezzahi ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
High Temperature ◽  
Double Perovskite ◽  
Spectroscopy Studies

Preparation and Crystal Structure of a New Lithium Vanadium Fluoride Li2VF6 with Trirutile-type Structure

2013 ◽  
Vol 68 (2) ◽  
pp. 121-126 ◽  
Author(s):  
Suliman Nakhal ◽  
Dominik Weber ◽  
Martin Lerch
Keyword(s):  
Crystal Structure ◽  
Lithium Fluoride ◽  
Lattice Parameters ◽  
Type Structure ◽  
Teller Effect ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Jahn Teller ◽  
Jahn Teller Effect

A new lithium vanadium fluoride Li2VF6 was prepared by reacting lithium fluoride LiF with vanadium tetrafluoride VF4 in a monel capsule at 500 °C. The crystal structure has been determined by means of powder X-ray diffraction. Trirutile-type dilithium hexafluorovanadate(IV) crystallizes in the tetragonal space group P42/mnmwith lattice parameters a=459.99(1), b=459:99(1), c=896.64(2) pm. The presence of a Jahn-Teller effect is discussed.

Synthesis, structure, and high temperature Mössbauer and Raman spectroscopy studies of Ba1.6Sr1.4Fe2WO9 double perovskite

2011 ◽  
Vol 509 (1) ◽  
pp. 66-71 ◽  
Author(s):  
B. Manoun ◽  
S. Benmokhtar ◽  
L. Bih ◽  
M. Azrour ◽  
A. Ezzahi ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
High Temperature ◽  
Double Perovskite ◽  
Spectroscopy Studies

Crystal structure resolution of an insulator due to the cooperative Jahn–Teller effect through Bader's theory: the challenging case of cobaltite oxide Y114

2018 ◽  
Vol 47 (15) ◽  
pp. 5483-5491
Author(s):  
Christian Tantardini ◽  
Enrico Benassi
Keyword(s):  
Crystal Structure ◽  
Magnetic Properties ◽  
Teller Effect ◽  
Jahn Teller ◽  
Jahn Teller Effect

Cobaltite YBaCo4O7, abbreviated as Y114, is one of the most thoroughly investigated perovskites, owing largely to its interesting magnetic properties.

Neue Mangan(III)-Fluoridhydrate: Na[MnF4(H2O)2] und Na[MnF4(H2O)2] · H2O / New Fluoride Hydrates of Manganese(III): Na[MnF4(H2O)2] and Na[MnF4(H2O)2] · H2O

1990 ◽  
Vol 45 (5) ◽  
pp. 593-597 ◽  
Author(s):  
Werner Massa ◽  
Roland E. Schmidt
Keyword(s):  
Crystal Structure ◽  
Structure Determination ◽  
Teller Effect ◽  
Crystal Structure Determination ◽  
Monoclinic Space Group ◽  
Space Group ◽  
Jahn Teller ◽  
Jahn Teller Effect

Crystalline Na[MnF4(H2O)2] and Na[MnF4(H2O)2] · H2O have been precipitated from aqueous HF solution of MnO(OH) and NaF. The crystal structure determination of the trihydrate (space group C 2/c, Z = 8, α = 1638.1(2), b = 667.6(2), c = 1130.3(1) pm, β = 103.78(1)°; R/wR = 0.038/0.033 for 1696 independent reflections) showed the presence of isolated octahedral trans-[MnF4(H2O)2]- anions with an elongation of the H2O-Mn—OH2 axis due to the Jahn-Teller effect (Mn 1-O 224.6(2), Mn 1—F(mean) 183.7(1); Mn2-0 218.3(2), Mn2— F(mean) 184.7(2) pm). As a consequence, an unusual H-bond geometry is observed with a tetrahedral (instead of trigonal) environment of the coordinated O atoms. Na[MnF4(H2O)2] is monoclinic (space group C 2/m, C 2 or Cm, a = 816.6(4), b = 677.1(1), c = 496.8(2), β = 114.45(3)°), the crystals show twinning and 1-dimensional disorder.

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