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A comparison study on the electronic structure of the thermoelectric materials CoSb3 and LaFe3CoSb12

✍ Scribed by Peng-Xian Lu; Zi-Gang Shen; Xing Hu

Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
918 KB
Volume
405
Category
Article
ISSN
0921-4526

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The electron donor and acceptor properties of PF3 are investigated theoretically by ab initio SCF MO calculations of PF30. The results are used to discuss the photoelectron spectra of PF3 and PF30, reported here, and tie change in lQ22.d geometry on co-wdinatjon.