Tin(II) oxide has an unusual crystal structure (litharge) which exhibits numerous 'non-ionic' features, such as nearest neighbour ions of like charge and a large lattice energy compared with other oxides of similar cation radius. It is shown that a generic ionic interaction model for oxides, with an ab initio based representation of such many-body effects as ionic polarization and the compression of the oxide ion by its environment, predicts litharge as the lowest energy structure. Cation polarization is found to play the dominant role
In this report we track the structural changes suffered by ITO along galvanostatic polarization at d...
The structures of four tin silicate, SnO-SiO2, glasses have been studied using pulsed neutron diffra...
Cation disorder is an important design criterion for technologically relevant transition-metal (TM) ...
Tin(II) oxide has an unusual crystal structure (litharge) which exhibits numerous 'non-ionic' featur...
Generalized Gradient Corrected Density Functional Theory calculations have been performed on SnO in ...
Compressible and polarizable ion models parametrized by ab initio calculations represent a promising...
We present an ab initio pseudopotential calculation of the structural properties of stannous oxide S...
The results of electronic structure calculations of the induced dipoles and quadrupoles on an anion ...
Stannic oxide SnO2 is a technologically important material which is frequently obtained by the oxida...
10 pages, 5 figuresInternational audienceMobile charges and lattice polarization interact in ferroel...
The results of ab initio calculations of in-crystal ionic polarizabilities, α, over a wide range of ...
The origin of ferroelectric polarization in tetragonal tungsten-bronze- (TTB-) type oxide strontium ...
The electronic structure of metallic Sn, polycrystalline Sn oxides, and (110) natural single crystal...
The predictions of an "extended" ionic interaction model for the phonons and other properties of cry...
The structural and electronic properties of the intercalation compound LixSnO2 (x = 1/16, 1/8, 1/4, ...
In this report we track the structural changes suffered by ITO along galvanostatic polarization at d...
The structures of four tin silicate, SnO-SiO2, glasses have been studied using pulsed neutron diffra...
Cation disorder is an important design criterion for technologically relevant transition-metal (TM) ...
Tin(II) oxide has an unusual crystal structure (litharge) which exhibits numerous 'non-ionic' featur...
Generalized Gradient Corrected Density Functional Theory calculations have been performed on SnO in ...
Compressible and polarizable ion models parametrized by ab initio calculations represent a promising...
We present an ab initio pseudopotential calculation of the structural properties of stannous oxide S...
The results of electronic structure calculations of the induced dipoles and quadrupoles on an anion ...
Stannic oxide SnO2 is a technologically important material which is frequently obtained by the oxida...
10 pages, 5 figuresInternational audienceMobile charges and lattice polarization interact in ferroel...
The results of ab initio calculations of in-crystal ionic polarizabilities, α, over a wide range of ...
The origin of ferroelectric polarization in tetragonal tungsten-bronze- (TTB-) type oxide strontium ...
The electronic structure of metallic Sn, polycrystalline Sn oxides, and (110) natural single crystal...
The predictions of an "extended" ionic interaction model for the phonons and other properties of cry...
The structural and electronic properties of the intercalation compound LixSnO2 (x = 1/16, 1/8, 1/4, ...
In this report we track the structural changes suffered by ITO along galvanostatic polarization at d...
The structures of four tin silicate, SnO-SiO2, glasses have been studied using pulsed neutron diffra...
Cation disorder is an important design criterion for technologically relevant transition-metal (TM) ...