Last edited by Mikabar
Monday, May 11, 2020 | History

2 edition of structure and lattice dynamics of spinel. found in the catalog.

structure and lattice dynamics of spinel.

Paul Thompson

structure and lattice dynamics of spinel.

by Paul Thompson

  • 151 Want to read
  • 38 Currently reading

Published by University of Aston in Birmingham. Department of Physics in Birmingham .
Written in English


Edition Notes

SeriesPh. D thesis
ID Numbers
Open LibraryOL21000196M

Magnetochemistry (ISSN ; CODEN: MAGNCZ) is a scientific, peer-reviewed, open access journal on molecular magnetism, the relationship between chemical structure and magnetism and magnetic materials published quarterly online by MDPI.. Open Access - free for readers, with article processing charges (APC) paid by authors or their institutions.; High Visibility: Indexed in the Science. Computer simulation of the structure, lattice dynamics, and thermodynamics of ilmenite-type MgSiO 3 Download the Scanned PDF: ALISON WALL, GEOFFREY D. PRICE Subsolidus phase equilibria on the forsterite-saturated join Mg 2 Si 2 O 6-CaMgSi 2 O 6 at atmospheric pressure Download the Scanned PDF: WILLIAM D. CARLSON.

Molecular dynamics simulation of a Li x Mn 2 O 4 spinel cathode material in Li-ion batteries A. Asadi, S. F. Aghamiri and M. R. Talaie, RSC Adv., , 6, DOI: /C6RAKCited by: 3. As expected, the interstitial configuration, highest by symmetry in the supercell model, provides the highest formation energy, while arrangement of Oi atoms in less symmetric sites of the spinel lattice is essentially more preferable energetically: values of E form O i .

  American Mineralogist: Journal of Earth and Planetary Materials. Vol. , no. 1 January Table of Contents. LETTERS. In-situ crystal structure determination of seifertite SiO 2 at GPa: Studying a minor phase near Earth’s core-mantle boundary Li Zhang, Dmitry Popov, Yue Meng, Junyue Wang, Cheng Ji, Bing Li, and Ho-kwang Mao. Olivine gives its name to the group of minerals with a related structure (the olivine group)—which includes tephroite (Mn 2 SiO 4), monticellite (CaMgSiO 4) and kirschsteinite (CaFeSiO 4).. Olivine's crystal structure incorporates aspects of the orthorhombic P Bravais lattice, which arise from each silica (SiO 4) unit being joined by metal divalent cations with each oxygen in SiO 4 bound to Category: Nesosilicate, Olivine group, Olivine series.


Share this book
You might also like
Lives of Mahomet and his successors

Lives of Mahomet and his successors

Discovery links social studies teachers guide

Discovery links social studies teachers guide

A voice from the attic

A voice from the attic

Of Haviland and Honey

Of Haviland and Honey

A wonderful woman

A wonderful woman

Collection Of sundrie Statutes, frequent in vse

Collection Of sundrie Statutes, frequent in vse

106-1 Hearing: The Long Road Home: Struggling for Property Rights in Post--Communist Europe, March 25, 1999.

106-1 Hearing: The Long Road Home: Struggling for Property Rights in Post--Communist Europe, March 25, 1999.

RACER # #2862775

RACER # #2862775

Docklands Forum

Docklands Forum

Structure and lattice dynamics of spinel by Paul Thompson Download PDF EPUB FB2

Lattice dynamics of MgO, Al2MgO4 and Mg2SiO4 spinel Article in Geophysical Journal International 29(1) - 42 April with Reads How we measure 'reads'Author: Charles Sammis.

VOLUME ; CONTENTS ; PREFACE; LATTICE DYNAMICS FOR SPINEL STRUCTURE COMPOUNDS ; ABSTRACT ; INTRODUCTION ; Crystal Structure and Symmetry ; Group Theory ; Phonon Dispersion Relations and Phonon Density of States; Zone-Centre Phonons ; Aluminate Spinels; Chromite Spinels; Lithium Manganese Oxides ; Lithium Titanate Oxides ; Elastic Properties.

Abstract. We use an approach based upon the Born model of solids, in which potential functions represent the interactions between atoms in a structure, to calculate the phonon dispersion of forsterite and the lattice dynamical behaviour of the beta-phase and spinel polymorphs of Mg 2 SiO potential used (THB1) was derived largely using data from simple binary oxides, and includes ‘bond Cited by: Lattice dynamical calculations have been performed for inverse spinel structure compounds MIn2S4 (M = Mn and Co) using the proposed six parameter bond-bending force constant model.

Mixed spinel structure, when cations Me 2+ and Fe 3+ occupy both A and B-positions; structural formula of this ferrite is Me 1−δ 2+ Fe δ 3+ [Me δ 2+ Fe 2−δ 3+]O 4 2−, where δ is the degree of inversion. MnFe 2 O 4 represent this type of structure and has an inversion degree of δ = and its structural formula therefore is Mn 2 Cited by: The C Fe O 4 ferrite was prepared by chemical co-precipitation and post annealing at °C.

The nuclear structure (lattice) and magnetic structure were determined by analyzing the Neutron diffraction patterns. The A and B sublattice magnetic moments confirmed ferrimagnetic order in Author: R.

Bhowmik, M C Aswathi, Amit Kumar, S. Yusuf. Molecular dynamics (MD) simulations were carried out to investigate the local structural disorder in LiMn 2 O 4 spinel. Small but significant shifts of lithium and oxygen atom positions from the high symmetry sites of the Fd 3 ̄ m lattice were observed.

The lithium atoms are displaced approximately Å away from 8a site of the Fd 3 ̄ m lattice and are shifted along the diffusion pathway Cited by: Abstract. The correlation between the structure and thermodynamic properties of minerals has long been considered fundamental. Besides the first-law functions, it is possible to calculate entropy and free energy for a pure ideal crystal if the vibrational properties are taken into by: 2.

CrystalMaker can handle including multi-structure files such as DL_POLY HISTORY - use CrystalMaker's synchronization and animation capabilities to rapidly understand structural behaviour, lattice dynamics, or visualize the trajectory of a simulation.

CrystalMaker X can also handle truly massive structures. 1(b-d).The corresponding positions of all the sharp peaks are used to obtain the lattice parameters such as the lattice constant, a 0 (to determine accurate a 0, the extrapolation technique has been applied between the lattice parameter and the Nelson-Riley function F(), and the average value of a 0 is found to be A).

The X-ray density, xCited by: Nickel substituted spinel cobalt oxide is a promising technological material with complex electronic and magnetic structures. Understanding these structures is important for improving the material’s performance in various applications.

We have carried out first-principles calculations on the formation, electronic properties, and defects of bulk NiCo2O4 using density functional theory (DFT Cited by:   Mössbauer Spectroscopy [electronic resource]: Proceedings of the Fifth Seeheim Workshop, held in Seeheim, Germany, 21–25 May High-Pressure Studies of Magnetism and Lattice Dynamics by Nuclear Resonant Scattering of Synchrotron Radiation The book will serve as a source of great actuality to physicists, chemists and geoscientists.

The vibrational properties of manganese dioxides and lithiated transition-metal oxides with either spinel-type or layered-type structure used as positive electrode materials in Li-ion batteries have been studied. Raman spectroscopy yields a reliable description of materials such as the manganese dioxides where crystalline disorder may be expected.

The local arrangement in the γ-MnO 2. @article{osti_, title = {Thermodynamic Stability of Low- and High-Index Spinel LiMn 2 O 4 Surface Terminations}, author = {Warburton, Robert E.

and Iddir, Hakim and Curtiss, Larry A. and Greeley, Jeffrey}, abstractNote = {Density functional theory calculations are performed within the generalized gradient approximation (GGA+U) to determine stable terminations of both low- and high.

Interstitials defects are a variety of crystallographic defects where atoms assume a normally unoccupied site in the crystal interstitial defects, two or more atoms may share one lattice site, thereby increasing its total energy.

Alternatively small atoms in some crystals may occupy interstitial sites in energetically favorable configurations, such as hydrogen in palladium.

The structures of deuterated, protonated, and relithiated forms of MnO2 spinel, obtained by ion exchange of Li ions with D or H in a well-crystallized spinel LiMnO4 compound, have been determined by powder neutron diffraction. Refinements were carried out using the Rietveld method of powder profile analysis in the space group Fd3m.

Li ions are removed from both tetrahedral 8a and. These results were further supported by the first principle lattice dynamics calculations. The spinel-type Zn 2 SnO 4 shows effectiveness in hosting Eu 3+ ions, which could be used as a prospective green/red emitter.

This work also illustrates how sustainable and simple preparation methods could be used for effective engineering of material Cited by:   The electronic structure spinel ZnSc2O4 and ZnY2O4 were studied by the self-consistent tight-binding linearized muffin-tin orbital method with the atomic sphere approximation.

The calculated results predict these zinc-based spinel oxides to be direct-gap materials. The direct gap at Γ is found to value eV for ZnSc2O4 and eV for : Anima Ghosh, Anita Kumari, M.

Rajagopalan, R. Thangavel. A continuum model is developed for describing deformation and failure mechanisms in crystalline solids (ceramics and minerals) with the cubic spinel structure. The constitutive model describes the response under conditions pertinent to impact loading: high pressures, Cited by: This review highlights the use of the X-ray absorption spectroscopy (XAS) as a local structural tool for selected atoms in several host materials.

The main characteristics of XAS to be element-sensitive and its applicability to all states of matter, including crystalline solids and amorphous and liquid states, permit an in-depth study of the structural properties of a large variety of by:.

The temperature dependence of single-crystal elastic constants of synthetic stoichiometric MgAl 2 O 4 spinel has been measured by the light-sound scattering technique in the Raman-Nath region.

The crystal is set into forced vibration by a single crystal LiNbO 3 transducer coupled to one crystal face. A He-Ne Laser beam is diffracted by the stress-induced birefringence inside the by: J Prafulla K. Jha and Sankar P. Sanyal: A lattice dynamical study on the role of pressure on Raman modes in high Tc HgBa 2 CuO 4 superconductor.

Physica C(). J Prafulla K. Jha and Sankar P. Sanyal: Lattice dynamics of II-VI compound semiconductors, Ind. J. of Pure and Appl. Phys, 34, ().Dynamic processes of structural change are significant topics in high-pressure crystallography.

Structure changes under compression, such as phase transformation, lattice deformation, cation ordering change, decomposition, and amorphization, and phase transitions under compression due to lattice instability, electronic state change, and magnetic spin ordering can be elucidated by X-ray.