Diluted magnetic semiconductor (DMS) materials have gained a lot of attention in the last decade due to their possible use in spintronics. In this chapter, the effect of transition metal (TM) i.e., Mn and Fe doping on the structural, electronic, magnetic as well as optical properties of pure and doped LuN has been presented from the first principles density functional theory (DFT) calculation with the Perdew-Burke-Ernzerhof-generalized gradient approximation (PBE-GGA) and Tran Blaha modified Becke-Johnson potential (TB-mBJ) as correlation potentials. The predicted Curie temperature is expected to be greater than room temperature in order to better understand the ferromagnetic phase stability, which has also been confirmed through the formation and cohesive energies. The calculated lattice constants for perfect LuN (rock-salt structure) are in good agreement with the experimental values. Interestingly, doping of Mn and Fe on pure LuN displays indirect band gap to a direct band gap with half metallic and metallic character. The detailed analyses combined with density of state calculations support the assignment that the Half-magnetism and magnetism are closely related to the impurity band at the origin of the hybridization of transition states in the Mn-doped LuN. Absorption spectra are blue shifted upon increase in dopant contents and absorption peaks are more pronounced in UV region. The refractive index and dielectric constant show increase in comparison to the pure LuN. According to the Penn’s model, the predicted band gaps and static actual dielectric constants vary. These band gaps are in the near visible and ultraviolet ranges, as well as the Lu0.75TM0.25N (TM = Fe, Mn) materials could be considered possible candidates for the production of optoelectronic, photonic, and spintronic devices in the future.
Part of the book: Density Functional Theory
Due to the limited supply of fossil fuels in the modern era, humankind’s need for new energy sources is of utmost importance. Consequently, solar energy is essential to society. Solar energy is an endless and pure source of energy. Solar energy research is being used to help solve the world’s energy dilemma, safeguard the environment, and promote significant sustainable economic growth. Humans have now constructed numerous solar photovoltaic power plants to produce electricity, and many people have installed solar panels on their homes’ roofs to do the same. The non-mathematical explanation of PV solar cell theory and its circuit architecture is covered in this chapter. It is written for a variety of groups, including engineers who need an introduction to the subject of photovoltaic cells, end users who require a deeper understanding of the theory to support their applications, students interested in PV science and technology, and others. The fundamentals of the individual electricity-producing solar cell—the photovoltaic cell—are discussed in this chapter. The reader is informed about the workings of PV cells. The chapter focuses on the operation and construction of PV cells. The advantages and disadvantages of the cell’s potential industrial applications are discussed. Here, we go over how to ensure that the PV cells used in contemporary renewable energy systems are up to snuff.
Part of the book: Solar PV Panels