Add to ORKGWe report results on the electronic, vibrational, and optical properties of SnO(2) obtained using first-principles calculations performed within the density functional theory. All the calculated phonon frequencies, real and imaginary parts of complex dielectric function, the energy-loss spectrum, the refractive index, the extinction, and the absorption coefficients show good agreement with experimental results. Based on our calculations, the SnO(2) electron and hole effective masses were found to be strongly anisotropic. The lattice contribution to the low-frequency region of the SnO(2) dielectric function arising from optical phonons was also determined resulting the values of E > (1aSyen) (latt) (0) = 14.6 and E > (1ayen) (latt) (0) = 10....
State-of-the-art computational methods have been applied in order to dissect the subtle features aff...
State-of-the-art computational methods have been applied in order to dissect the subtle features aff...
First principle calculations on pure and germanium (Ge) incorporated tin (IV) oxide (SnO2) are perfo...
We report results on the electronic, vibrational, and optical properties of SnO(2) obtained using fi...
We consider the effects of three different types of applied compressive stress on the structural, el...
Using first principles calculations based on density functional theory (DFT), the electronic propert...
The structural properties of SnO2 polymorphs in the sequential order of observed phases in experimen...
Stannic oxide SnO2 is a technologically important material which is frequently obtained by the oxida...
We present an ab initio study of the electronic structure of SnO. Density functional theory in the l...
Structural and mechanical properties in rutile (tetragonal) phases of SnO 2 and TiO 2 are investigat...
The structural properties of SnO2 polymorphs in the sequential order of observed phases in experimen...
The structural properties of SnO2 polymorphs in the sequential order of observed phases in experimen...
State-of-the-art computational methods have been applied in order to dissect the subtle features aff...
The use of computer simulations has become almost essential for prediction and interpretation of dev...
State-of-the-art computational methods have been applied in order to dissect the subtle features aff...
State-of-the-art computational methods have been applied in order to dissect the subtle features aff...
State-of-the-art computational methods have been applied in order to dissect the subtle features aff...
First principle calculations on pure and germanium (Ge) incorporated tin (IV) oxide (SnO2) are perfo...
We report results on the electronic, vibrational, and optical properties of SnO(2) obtained using fi...
We consider the effects of three different types of applied compressive stress on the structural, el...
Using first principles calculations based on density functional theory (DFT), the electronic propert...
The structural properties of SnO2 polymorphs in the sequential order of observed phases in experimen...
Stannic oxide SnO2 is a technologically important material which is frequently obtained by the oxida...
We present an ab initio study of the electronic structure of SnO. Density functional theory in the l...
Structural and mechanical properties in rutile (tetragonal) phases of SnO 2 and TiO 2 are investigat...
The structural properties of SnO2 polymorphs in the sequential order of observed phases in experimen...
The structural properties of SnO2 polymorphs in the sequential order of observed phases in experimen...
State-of-the-art computational methods have been applied in order to dissect the subtle features aff...
The use of computer simulations has become almost essential for prediction and interpretation of dev...
State-of-the-art computational methods have been applied in order to dissect the subtle features aff...
State-of-the-art computational methods have been applied in order to dissect the subtle features aff...
State-of-the-art computational methods have been applied in order to dissect the subtle features aff...
First principle calculations on pure and germanium (Ge) incorporated tin (IV) oxide (SnO2) are perfo...