Besides temperature at one atmosphere, the applied pressure is another important
parameter for influencing and controlling reaction pathways and final reaction products. This …

The study of solids at high pressures and temperatures is an important area of modern
condensed matter physics, chemistry, and materials science. The last decade has seen …

Compared to oxides, the nitrides are relatively unexplored, making them a promising
chemical space for novel materials discovery. Of particular interest are nitrogen-rich nitrides …

There has been considerable interest in the synthesis of new nitrides because of their
technological and fundamental importance,. Although numerous metals react with nitrogen …

High-pressure synthesis is a powerful method for the preparation of novel materials with
high elastic moduli and hardness. Additionally, such materials may exhibit interesting …

The first principles calculations based on density functional theory (DFT) were adopted to
investigate the stability, elastic constants, chemical bonding, Debye temperature and …

Theoretical calculations of electron energy-loss near-edge structure (ELNES) and x-ray
absorption near-edge structure (XANES) of selected wide-gap materials including TiO 2 …

Since the discovery of spinel nitrides in 1999, there has been a lot of effort in basic science
to further develop advanced nitrides and electronic nitrides. The aim and scope of the …

Based on the most recently determined noncubic structure for γ-Al 2 O 3 by Menendez-
Proupin and Gutierrez, a comprehensive list of physical properties is investigated …

The electronic structure and bonding in two complex crystals, yttrium oxyorthosilicate Y 2
SiO 5 and yttrium pyrosilicate Y 2 Si 2 O 7, were studied by means of first-principles local …