Rare earth based Mg-chalcogenides MgDy2 (S/Se) 4 as an emerging aspirant for spintronic and thermoelectric applications

G Nazir, AS Alofi, A Rehman, Q Mahmood… - Materials Science in …, 2024 - Elsevier
The magnesium based spinel chalcogenides are outstanding materials for spintronic
technology and energy applications. Herein, the modified Becke Johnson potential (TB …

Giant photoelectric energy conversion via a 3C-SiC Nano-Thin film double heterojunction

DG Ninh, MT Hoang, T Wang, TH Nguyen… - Chemical Engineering …, 2024 - Elsevier
Enhancing the energy conversion efficiency is utmost important in renewable energy and
self-powered optoelectronic sensing applications. In this study, we propose the concept of a …

First-principles study of lead-free double perovskites K2Pt (Cl/Br) 6 for optoelectronic and renewable energy applications

Q Mahmood, T Zelai, T Usman, S Al-Qaisi… - Journal of Solid State …, 2021 - Elsevier
The density functional theory-based calculations investigate the structural, electronic, elastic,
optical, and thermoelectric properties of K 2 Pt (Cl/Br) 6 for renewable energy applications …

First-principles calculations to investigate role of 4d electrons spin (Mo/Tc) in half metallic ferromagnetism, and thermoelectric characteristics of Rb2 (Tc, Mo) X6 (X= Cl …

Q Mahmood - Ceramics International, 2023 - Elsevier
The absolute spin polarization, stable structures, and non-toxic nature of vacancy-ordered
double perovskites (DPs) make them merging materials for spintronic. Therefore, in the …

Study of Curie Temperature, Ferromagnetism, and thermoelectric properties BaCo2Z4 (Z= S, Se, Te) for spintronic and energy applications

G Nazir, ND Alkhaldi, A Akremi, J Hakami… - Materials Science and …, 2024 - Elsevier
Spintronics is an emerging technology that harnesses electron spin to speed up data
transfer, manipulation, and storage. In our thorough examination of BaCo 2 Z 4 (Z= S, Se …

Theoretical investigation of electronic, optical and thermoelectric properties of tellurium doped barium titanate (BTO) through modified Becke–Johnson exchange …

M Ziati, H Ez-Zahraouy - Optik, 2021 - Elsevier
The stability, electronic structure, optical and thermoelectric properties of T e-doped B a T i O
3 are investigated by first-principal calculation based on the density functional theory and …

Tuning of band gap by anion variation of Ga2TiX6 (X= Cl, Br, I) for solar cells and renewable energy

TI Al-Muhimeed, J Alzahrani, SA Rouf, S Al-Qaisi… - Physica …, 2022 - iopscience.iop.org
Vacancy-ordered double perovskites have been studied vastly for energy applications for
the last few decades. In this article, we have investigated the optical and thermoelectric …

First principle study of optoelectronic and thermoelectric properties of magnesium based MgX2O4 (X= Sb, Bi) spinels

M mana Al-anazy, T Zelai, A Rahim, AA AlObaid… - Journal of Solid State …, 2021 - Elsevier
The structural, electronic, optical, and thermoelectric properties of MgX 2 O 4 (X​=​ Sb, Bi)
are addressed by density functional theory (DFT). The thermodynamic stability is confirmed …

Theoretical study of rare earth in the spinels chalcogenide MgCe2Z4 (Z= S, Se) for spintronic and thermo-electric applications

NA Noor, M Tahir, MA Khan, S Niaz, H Ullah… - Materials Science in …, 2023 - Elsevier
For leading spintronic technology, the significance of rare earth in the spinels chalcogenide
MgCe 2 Z 4 (Z= S, Se) has been investigated. Wein2K and BoltzTraP program packages are …

The study of electronics, optoelectronics, thermoelectric, and mechanical properties of Zn/CdSnO3 perovskites

MGB Ashiq, Q Mahmood, BU Haq, TH Flemban… - Materials Science in …, 2022 - Elsevier
We have investigated the physical properties of Zn/CdSnO 3 in various phases to optimize
their performance for optoelectronic and other energy devices. The formation energies and …