Low-dimensional II–VI semiconductor nanostructures of ternary alloys and transition metal ion do**: synthesis, optical properties and applications

A Bukhtiar, B Zou - Materials Advances, 2024 - pubs.rsc.org
Light matter interactions in spin-controlled devices, which are also known as dilute magnetic
semiconductors, have gained significant attention in the past few years. The strong electron …

Electronic, magnetic and optical properties of Co (II) doped and (Al, Co) co-doped CdS nanowires: An ab initio study

MS Khan, B Zou, J Luo, S Yao, A Bukhtiar… - Materials Science in …, 2024 - Elsevier
In this work, we have carried out first-principles calculations for understanding the
optoelectronic and magnetic properties of Co (II)-doped and (Al, Co) co-doped CdS …

Carrier-mediated ferromagnetism in Mn (II)-doped ZnTe thin films and their optical properties: A first-principles study

MS Khan, B Zou, LJ Shi, S Yao, A Bukhtiar… - Journal of Alloys and …, 2023 - Elsevier
We have investigated the opto-electronic and magnetic properties of Mn (II)-doped ZnTe thin
films by employing Density Functional Theory (DFT). In the absence of additional carriers …

Suppression of ferromagnetism due to N co-do** in Cr (II)-doped ZnS nanowires and their optical properties: Insights from density-functional calculations

MS Khan, B Zou, S Yao, Z ul Haq, AS Abdulla… - Journal of Magnetism …, 2023 - Elsevier
Spin-related optical properties will be the main basis for future information technology, but
they require microscopic ferromagnetic and anti-ferromagnetic couplings between the d …

Induced ferromagnetism in Ni (II) doped ZnO monolayers via Al co-do** and their optical characteristics: ab initio study

MS Khan, B Zou, A Bukhtiar, WG Huang - Nanotechnology, 2024 - iopscience.iop.org
For applications in magneto-electronic devices, diluted magnetic semiconductors (DMSs)
usually exhibit spin-dependent coupling and induced ferromagnetism at high Curie …

Magnetic and Optoelectronic Properties of Cobalt and Iodine Do** in ZnSe Nanowires for Spintronic and Water-Splitting Applications: A First-Principles Investigation

MS Khan, D Luo, B Zou - ACS Applied Nano Materials, 2025 - ACS Publications
This study employs first-principles calculations to comprehensively investigate the
optoelectronic, magnetic, and photocatalytic properties of ZnSe nanowires, with a focus on …

First-principles analysis of strain-dependent optoelectronic and magnetic properties of ZnO and Ni (II)-doped ZnO nanowires

MS Khan, B Zou - Physica B: Condensed Matter, 2025 - Elsevier
This study investigates the optoelectronic and magnetic properties of ZnO nanowires
subjected to strain using first-principles calculations. The findings reveal that the bandgap of …

Customizing PBE exchange–correlation functionals: a comprehensive approach for band gap prediction in diverse semiconductors

S Bhattacharjee, NA Koshi, SC Lee - Physical Chemistry Chemical …, 2024 - pubs.rsc.org
Accurate band gap prediction in semiconductors is crucial for materials science and
semiconductor technology advancements. This paper extends the Perdew–Burke–Ernzerhof …

Ab initio calculations on magnetic and optical characteristics of pure ZnO and Mn (II)-doped ZnO monolayers with and without neutral charged vacancies defects

MS Khan, B Zou, A Bukhtiar, AS Abdalla, B Ke… - Journal of Magnetism …, 2024 - Elsevier
At high Curie temperatures, diluted magnetic semiconductors exhibit induced
ferromagnetism and spin-dependent interactions, making them useful in magneto-electronic …

Engineering optoelectronic properties of HgSe/ZnTe superlattices using first principles method

B Mohamed, C Yassine, B Abbes, C Oualid… - Materials Science in …, 2024 - Elsevier
Recent advancements in thin-film growth techniques have opened doors for engineering
innovative heterostructures with ultra-thin layers. These artificial superlattices hold promise …