Hydrogen molecule in group IV element crystal
Japanese Journal of Applied Physics, Part 2: Letters, ISSN: 0021-4922, Vol: 36, Issue: 11 SUPPL. B
1997
- 3Citations
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Metrics Details
- Citations3
- Citation Indexes3
- CrossRef2
Article Description
Ab initio Hartree-Fock calculations of a hydrogen molecule in group IV element crystals (diamond, silicon and germanium) have been performed with cluster models. The total energy has a minimum value when the hydrogen molecule is at a tetrahedral site. The charge of the hydrogen molecule in silicon and germanium crystals is neutral but positive in diamond. The calculated vibrational frequencies of H are 5533, 4423 and 4402 cm in diamond, silicon and germanium crystals, respectively.
Bibliographic Details
http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=0031271244&origin=inward; http://dx.doi.org/10.1143/jjap.36.l1479; https://iopscience.iop.org/article/10.1143/JJAP.36.L1479; https://dx.doi.org/10.1143/jjap.36.l1479; https://hkvalidate.perfdrive.com/?ssa=200c33bf-8a25-4ada-ac88-9183492dfe74&ssb=34443259153&ssc=https%3A%2F%2Fiopscience.iop.org%2Farticle%2F10.1143%2FJJAP.36.L1479&ssi=42a9f804-8427-44e0-acff-e83e994580aa&ssk=support@shieldsquare.com&ssm=60501153318677817209382436002532209&ssn=53cea83fd2ace7ba87dbab9c488a9dae4dcc9d897eb6-cfdf-46c1-9800b2&sso=21096c4c-deced3b6d0a02ba50c6b300d00d8be95095d10e8be286578&ssp=53996350951613550250161406140543291&ssq=43175520181293939286890177581066623058172&ssr=NTIuMy4yMTcuMjU0&sst=com.plumanalytics&ssv=&ssw=
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