Ab initio restricted Hartree‐Fock method coupled with the large unit cell method is used to
determine the electronic structure and physical properties of aluminum phosphide (AlP) …

We have investigated the structural and electronic properties of AlAs and AlP compounds
and of ordered AlAs1− xPx alloys using the full potential linearized augmented plane wave …

Present paper discusses the structural stability and electronic properties of AlX (X= P, As
and Sb) nanowires in its linear, zigzag, ladder, square and hexagonal type atomic …

The effect of pressure on the structural and electronic parameters of zinc-blende aluminum
phosphide crystal has been investigated using the large unit cell within the framework of …

In this research paper, we studied the structural, electronic and thermal properties of the zinc
blende ternary alloys (Al x Ga 1− x As) by the use of first-principles calculations based on FP …

The density functional B3LYP was utilised for scrutinising the effect of Pt-decoration on the
sensing performance of an AlP nanosheet (AlPNS) in detecting mercaptopurine (MP). Pure …

The electronic structure of AlAs through a Compton profile study is presented in this paper.
Theoretical calculations are performed following the linear combination of atomic orbitals …

We have performed first-principles calculations to investigate the behavior under hydrostatic
pressure of the structural, elastic and lattice dynamics properties of aluminum phosphide …

Electronic structure of zinc blende AlN 1− x P x alloy has been calculated from first
principles. Structural optimization has been performed within the framework of LDA and the …

Aluminum arsenide (AlAs) is one of the most important electronic and optoelectronic
materials because of its frequent incorporation into GaAsbased heterostructures [1, 2]. AlAs …