Structural Refinement by Neutron Diffraction of La1.12Li0.62Ti2O6

Ruiz, A.; López, Marı́a Luisa; Veiga, M.L.; Pico, C.

doi:10.1006/jssc.1999.8456

Cited by 49 publications

(54 citation statements)

References 9 publications

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“…The superstructure reflections produced by A-site ordering (marked with asterisk) become decreased with the addition of Na + , and disappear when x>0.2. It indicates the A-site cation ordering degree decrease with the increase of sodium content and becomes disorder for A-site cations distribution when x>0.2, which is agreement with that of Ruiz et al [8] and also with that of analogous lithium series, La (2−x)/3 Li x TiO 3 [11]. It is noted that the profiles of the fundamental (200) peak is splitted when x≤0.2, which indicates the lower symmetry of the structure, while no splitting occurs when x>0.2.…”

Section: Introductionsupporting

confidence: 86%

Structure and microwave dielectric properties of La(2−x)/3NaxTiO3

Bian

Yan

2007

J Electroceram

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The structure evolution, and microwave dielectric properties of La (2−x)/3 Na x TiO 3 Ceramics(x ¼ 0:02 Â 0:5) were investigated in this paper. X-ray diffraction (XRD) and scanning electron microscopy (SEM) results show that all samples exhibit single phase. The concentration and ordering degree of A-site vacancies decrease with the increase of x value, and no A-site ordering exists when x>0.2. The dielectric constant decreases with the decrease of x value. The Q×f value increases up to x=0.1 and then decreases with the further increase of x value. A maximum Q×f value of 18,826 GHz is obtained when x=0.06. The temperature coefficient of resonant frequency exhibits positive value and decreases greatly with the decrease of x value.

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Section: Introductionsupporting

confidence: 86%

Structure and microwave dielectric properties of La(2−x)/3NaxTiO3

Bian

Yan

2007

J Electroceram

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“…La ions remain at the center of the ideal tetrahedra, in contrast to the lithium ions, which are displaced in order to satisfy bonding requirements. We note that the actual location of Li in this structure remains controversial, with some authors supporting other types of distribution [16,19]: the structures obtained here are in agreement with Katsumata et al [18]. In addition, a further type of conduction path is observed; see Fig.…”

Section: Resultssupporting

confidence: 92%

“…We used interatomic potentials, comprising a formal charge Born model with short-range Buckingham potentials and a shell model of the polarisable oxygen, as described by Lewis and Catlow [15]. The structure reported by Pico et al was used as starting model [16], with the partial occupation of the sites being initially modeled using a mean-field approach [5]. Energy minimization and molecular dynamics runs were performed with GULP [5].…”

Section: Methodsmentioning

confidence: 99%

Approaching the structure of heavily defective ionic oxides through atomistic modeling

Ruiz‐Salvador

García-Sánchez

O'Reilly‐Lukin

et al. 2005

phys. stat. sol. (c)

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A methodology, based on a combination of Molecular Dynamics, Monte Carlo and Energy Minimization techniques, has been developed for determining the distribution of mobile ions in heavily defective oxides. We present its application to a superionic lithium lanthanum titanate perovskite, that shows how the lattice A sites become segregated into two sublattices, one rich in La, the other in Li and vacancies. Furthermore, we find an inherent instability of the static structure and the presence of a 3-D tunnel structure.

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“…From the structural point of view the new phases adopted a tetragonal symmetry (S.G. P4/mmm) as was deduced from neutron di!raction experiments (12 O, NaNO , and TiO in stoichiometric ratios. About 4 g of these reagents were added to a mixture of 10 g of citric acid and 4 ml of ethyleneglycol.…”

Section: Introductionmentioning

confidence: 99%