SPECTRUM OF ENERGY OF TETRAHEDRAL CRYSTALS WITH LOCAL DEFECTS. COMPARATIVE CALCULATION WITHIN THE FRAMEWORK OF MODELS OF ORBITALLY-STOICHIOMETRIC CLUSTER AND OF MOLECULAR CLUSTER WITH COMPENSATION OF BROKEN VALENCIES
The spectrum of one-electron states (SOS) of covalent and ionic-covalent crystals ( C , Si , Ge , BN , BP , AlN , AlP and GaP ) was calculated under the MNDO scheme with a usage of symmetrically extended models of a) an orbital-stoichiometric cluster and b) a molecular cluster with closure of broken...
| Main Authors: | , |
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| Format: | Article |
| Language: | Russian |
| Published: |
Tver State University
2013-11-01
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| Series: | Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов |
| Subjects: | |
| Online Access: | http://physchemaspects.ru/archives/2013/%D0%A4%D0%A5-2013%20%D0%A1%D1%82%D0%B5%D0%B1%D0%B5%D0%BD%D1%8C%D0%BA%D0%BE%D0%B2%20%D0%90%D0%9C.pdf |