For thermoelectric applications, semiconductors are generally better than metals and insulators. PtAs2 and PtP2 are indirect energy gap semiconductors that have been predicted with high thermo-powers (PtP2 having higher thermopower than PtAs2). The crystal structure and the elect...
Open access
Research Article10.9734/psij/2021/v25i230242
An empirical model is developed and tested on cubic solids for the calculation of bandgaps. The dataset for the model is derived from a semi-local approximation in which the local density approximation (LDA) treats the exchange-correlation energy and potential. The agreement betw...
The engineering of bandgap in materials is desired to develop new optoelectronic and photonic devices. The structure, electronic and optical properties of MgO (an insulator) mixed with CdO (a semiconductor) in the stoichiometry (0) are calculated using the ab initio density func...