About cookies on this site Our websites require some cookies to function properly (required). In addition, other cookies may be used with your consent to analyze site usage, improve the user experience and for advertising. For more information, please review your options. By visiting our website, you agree to our processing of information as described in IBM’sprivacy statement. To provide a smooth navigation, your cookie preferences will be shared across the IBM web domains listed here.
Paper
Localized and bandlike valence-electron states in FeS2 and NiS2
Abstract
Photoemission energy distributions for 20<~hν<~50eV for semiconducting FeS2 (fool's gold) show a narrow, ∼1 eV wide, localized uppermost valence level, whereas the corresponding levels of semiconducting NiS2 are broad (∼3.5 eV) and bandlike. Self-consistent-field Xα cluster calculations indicate that this level in FeS2 is the 3d-like t2g state, while in NiS2 the uppermost level is the more bandlike eg state, with t2g states about 2 eV lower that overlap the broad S 3p-derived valence bands. © 1974 The American Physical Society.