New Zirconium Diboride Polymorphs—First-Principles Calculations

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First Principles Calculations

Calculations of the linestrengths and transition frequencies of the forbidden pure rotational spectrum of Hz in the vibrationally excited v2 state are presented. These transitions occur in the far-infrared region, and their observation may be complicated by vi u2 difference transitions. Examples of these are also given. Forbidden rovibrational transition frequencies and linestrengths have also ...

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ژورنال

عنوان ژورنال: Materials

سال: 2020

ISSN: 1996-1944

DOI: 10.3390/ma13133022