SnO2: A comprehensive review on structures and gas sensors
S Das, V Jayaraman - Progress in Materials Science, 2014 - Elsevier
Metal oxides possess exceptional potential as base materials in emerging technologies. In
recent times, significant amount of research works is carried out on these materials to assess …
recent times, significant amount of research works is carried out on these materials to assess …
Tin oxide based nanostructured materials: synthesis and potential applications
In view of their inimitable characteristics and properties, SnO2 nanomaterials and
nanocomposites have been used not only in the field of diverse advanced catalytic …
nanocomposites have been used not only in the field of diverse advanced catalytic …
First-principles calculations of the ferroelastic transition between rutile-type and -type at high pressures
The tetragonal to orthorhombic ferroelastic phase transition between rutile-and CaCl 2-type
SiO 2 at high pressures is studied using first-principles calculations and the Landau free …
SiO 2 at high pressures is studied using first-principles calculations and the Landau free …
Electronic structure, properties, and phase stability of inorganic crystals: A pseudopotential plane‐wave study
Recent developments in density functional theory (DFT) methods applicable to studies of
large periodic systems are outlined. During the past three decades, DFT has become an …
large periodic systems are outlined. During the past three decades, DFT has become an …
Thermodynamics of mantle minerals-II. Phase equilibria
We complete the development and description of a thermodynamic method for the
computation of phase equilibria and physical properties of multiphase mantle assemblages …
computation of phase equilibria and physical properties of multiphase mantle assemblages …
Elastic instabilities in crystals from ab initio stress-strain relations
Pressure-induced elastic instabilities are investigated in the prototypic ionic and covalent
solids (MgO, CaO, and Si) using generalized elastic stability criteria based on the elastic …
solids (MgO, CaO, and Si) using generalized elastic stability criteria based on the elastic …
On the rigidity of amorphous solids
M Wyart - arxiv preprint cond-mat/0512155, 2005 - arxiv.org
We poorly understand the properties of amorphous systems at small length scales, where a
continuous elastic description breaks down. This is apparent when one considers their …
continuous elastic description breaks down. This is apparent when one considers their …
Thermal expansivity, heat capacity and bulk modulus of the mantle
We derive exact expressions for the thermal expansivity, heat capacity and bulk modulus for
assemblages with arbitrarily large numbers of components and phases, including the …
assemblages with arbitrarily large numbers of components and phases, including the …
High‐pressure elastic properties of major materials of Earth's mantle from first principles
The elasticity of materials is important for our understanding of processes ranging from brittle
failure, to flexure, to the propagation of elastic waves. Seismologically revealed structure of …
failure, to flexure, to the propagation of elastic waves. Seismologically revealed structure of …
Polymorphism in silica studied in the local density and generalized-gradient approximations
T Demuth, Y Jeanvoine, J Hafner… - Journal of Physics …, 1999 - iopscience.iop.org
The crystal structures of a large number of silica polytypes (-and-quartz,-and-cristobalite,-
tridymite, keatite, coesite and stishovite) have been studied using density functional theory …
tridymite, keatite, coesite and stishovite) have been studied using density functional theory …