The ener jy-band structure for ideal polysilane (SiH2)" is calculated using the Slater-Kostcr lineaI' combination of atomic orbitals (I.CAO) method. The interatomic matrix elements are estimated by us1Qg Harrison s Rppfox1matc 1cp1cscntat1oQ. From thc calculated band stfuctufc %'e dcducc that cha1nllke polysllanc 1S 8 scmlconductof hav1ng 8 verde d1rcct band gap Rnd thRt opt1CRl tI'Rnslt1ons RI'c allowed. This 1s cons1stcnt With thc experimental fcsults shovving 8 Wide opt1cal gap Rnd 41ghly efficient luminescence in novel Si:H alloys, consisting of many polysilane chain segments.
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