Dopants and defects are important in semiconductor and magnetic devices. Strategies for
controlling doping and defects have been the focus of semiconductor physics research …

Nanoparticles of pure ZnO and monovalent, divalent & trivalent doped Zn 0.96 T 0.04 O (T:
Li+, Ca 2+ & Gd 3+) were prepared by the nitrate-citrate based sol-gel method. Powder …

The accurate absolute surface energies of (0001)/(000 1⁠) surfaces of wurtzite structures
are crucial in determining the thin film growth mode of important energy materials. However …

According to the present knowledge, the level of zinc oxide conductivity is determined by
donor and acceptor complexes involving native defects and hydrogen. In turn, recently …

Determining accurate absolute surface energies for polar surfaces of semiconductors has
been a great challenge in decades. Here, we propose pseudo-hydrogen passivation to …

The optical properties of intrinsic ZnO and Ag-doped ZnO for p-type transformation with
different concentrations is studied using the first principles. The results show that the lattice …

In this work, we studied strain-dependent doping and optical absorption in Aluminum (Al)-
doped graphene-like ZnO (g-AZO) monolayer using hybrid-Density functional theory (DFT) …

The transparent conductive oxide films with controlled type of conduction are of great
importance and their preparation is intensively studied. In our work, the preparation of such …

METHODS Spin-polarized first-principle calculations are performed within the density
functional theory framework, as implemented in the Vienna ab initio simulation package. 16 …

Control and enhancement of doping concentration in two-dimensional (2D) semiconductors
is a critical issue. Here, we investigate the strain-dependent behavior of dopant formation …