Electronic structure and optical properties of thorium monopnictides
Source abstract
Abstract
We have calculated the electronic density of states (DOS) and dielectric function for the ThX (X = P, As and Sb) using the linear muffin tin orbital method within atomic sphere approximation (LMTO-ASA) including the combined correction terms. The calculated electronic DOS of ThSb has been compared with the available experimental data and we find a good agreement. The calculated optical conductivity for ThP and ThAs is increasing monotonically, while for ThSb a sharp peak has been found at 6–5 eV. Unfortunately there are no experimental data to compare with calculated optical properties, we hope our calculations will motivate some experimentalists.
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Research context
OpenAlex topics: Rare-earth and actinide compounds · Intermetallics and Advanced Alloy Properties · Topological Materials and Phenomena
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References (19)
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