This work represents a theoretical study, based on density functional theory (DFT), on
structural, electronic and optical properties of magnesium tetraborate (MBO, MgB 4 O 7) …

Esta dissertaçao apresenta um estudo teórico baseado no formalismo da Teoria do
Funcional da Densidade (DFT) sobre as propriedades estruturais, eletrônicas e ópticas dos …

No presente trabalho foram estudadas as propriedades estruturais, eletrônicas e ópticas do
tetraborato de lítio, Li2B4O7, um material importante, frequentemente usado como detector …

The structural, electronic and optical properties of important dosimeter material MgB 4 O 7
have been analyzed on the basis of the first-principles density functional theory calculations …

In this work, the structural, optoelectronic, nuclear magnetic resonance (NMR) and electric
field gradient (EFG) of the pure BiCaVO5 and substituted by Mg and Cd atoms were studied …

Structural, electronic and optical properties of the antisite Bi MO 4 defect in Bi 12 MO 20
sillenites (BMO, M= Si, Ge, Ti) were investigated using density functional theory. The defect …

Magnesium borate of the form Mg2B2O5 has been prepared and its structural and thermal
properties were studied using X-ray diffraction and differential thermal analysis. An …

Purpose: The aim of this work was to fabricate the doped with transition or rare earth metals
the single crystals such as Bi12GeO20 (BGO) and Bi12SiO20 (BSO), showing the …

The origins of the optical effects and the chemical stability of BiB3O6 are studied by gradient-
corrected hybrid B3PW density functional theory within the Gaussian-orbital-based CO …

The new compounds, Mg (BiO2) 4 was synthesized and structurally characterized
semiconductor. Due to theoretical investigation for both of Mg (BiO2) 4 and Mg (Bi0. 91Ge0 …