In the realm of intermetallic compounds, there is a small group of phases that demonstrate
the properties of non-metals. These are intermetallics formed by elements from different …

RuAl 2 shows the abnormal semiconductor property. However, the relationship between
structure, electronic and mechanical properties of RuAl 2 is not well understood. In this …

The electronic and optical properties of binary semimetals GdSb and TbSb in the rocksalt
cubic structure have been investigated. The spin-polarized band structure calculations were …

Density functional calculations were performed for a cubic quasicrystalline approximant in
the Al–Cu–Ir system. A semimetallic band structure was developed and analyzed on the …

Ru-Al compounds are promising high-temperature materials due to the excellent
mechanical, physical and chemical properties. However, the effect of Ru concentration on …

In this study, to see pressure effects on optical, thermodynamic, structural, elastic, electronic
properties, charge density, and phonon frequencies of the XAl (X: Rh, Ru) compounds in B2 …

The occupation mechanism and influence of B doping on the electronic and mechanical
properties of RuAl 2 semiconducting compound have been investigated using first-principles …

A study on pressure induced metallization or metal–insulator transition (MIT) of materials is
of enormous importance in high pressure research not only in view of various possible …

Tetragonal FeAl 2 has been predicted a narrow-gap semiconductor stable at ambient
pressure. However, only a complex, triclinic FeAl 2 has been experimentally observed. We …

RuAl 2 is a fascinating intermetallic semiconducting compound. However, the influence of
vacancies on the electronic and mechanical properties of RuAl 2 is unknown. By means of …