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キーワード:
electronic properties;
first-principles computational methods;
nitride materials;
solid-state lighting
要旨:
This chapter discusses recent developments in first-principles computational methods for the study of nitride materials employed for solid-state lighting. The chapter also presents examples that show the wide range of applications of first-principles calculations in this field, ranging from the basic structural and electronic properties of the nitride materials to the effects of strain, defects, and nonradiative recombination on the optoelectronic device performance. First-principles methods are a powerful explanatory and predictive computational tool that can assist and guide the experimental development of efficient solid-state optoelectronic devices and can help reduce the impact of general lighting on the world's energy resources.
