First-principles investigation of ternary two-dimensional (2D) AlxB1-x N monolayer alloys
AC Chaouche, A Lachebi, H Abid… - Superlattices and …, 2019 - Elsevier
In this paper, we present a detailed theoretical study of structural, electronic and optical
properties of two-dimensional (2D) Al x B 1-x N monolayer compounds for 0≤ x≤ 1. All
possible arrangement of atoms have been determined for five concentration (x= 0, 0.25,
0.50, 0.75 and 1). Stabilities of all configurations are demonstrated by cohesive energies. In
addition, we have investigated the composition dependence of the lattice constants a (x) and
b (x), and band gaps Eg (x). The results show that the incorporation of aluminum (Al) atoms …
properties of two-dimensional (2D) Al x B 1-x N monolayer compounds for 0≤ x≤ 1. All
possible arrangement of atoms have been determined for five concentration (x= 0, 0.25,
0.50, 0.75 and 1). Stabilities of all configurations are demonstrated by cohesive energies. In
addition, we have investigated the composition dependence of the lattice constants a (x) and
b (x), and band gaps Eg (x). The results show that the incorporation of aluminum (Al) atoms …
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