Role of Bulk d‐Electrons in the Formation of Ultraviolet Photoelectron Spectra for a Number of 4d‐Metals

Abstract

The contribution of bulk electron crystal states to the ultraviolet photoelectron spectra (UPS) is studied for the following 4d-metals: molybdenum, rhodium, palladium, and silver. The discrepancy between the calculated curves of bulk contribution to the UPS and the experimental UPS curves is found to increase, when going from the elements at the end of 4d-period to the elements closer to its beginning. This regularity appears to be connected with the decrease in the d-electron localization in the above-mentioned sequence of elements, which is demonstrated by the calculations. Comparison of the calculated bulk contribution to the UPS with the experimental UPS allows to distinguish those peaks in the UPS of molybdenum and rhodium, which are most likely due to the surface electronic structure. BbIIIOnHeHO ACCJIeAOBaHAe BKJIaAa O6WMHbIX 3JIeKTPOHHbIX COCTORHA6 KpHCTaJIJIa B yJIbTpa@AOJIe-TOBbIe @OT03JIeKTPOHHbIe (Y@3) CIIeKTpbI AJIR CJIeJlyMWeTO PRAa 4d-MeTaJIJIOB : MOJIPi6JWHa, POAIIR, IIaJInaAIlR H cepe6pa. 06HapyXeHO BO3paCTaHAe paCX0XAeHHX MeXAy KpABbIMH paCCYHTaHHOr0 06'beMHOrO BKJIaAa B y@3-CIIeKTpbI H 3KCIIepPiMeHTaJIbHbIMA KPHBbIMA IIpH IIepeXOne OT 3JIeMeHTOB KOHUa 4d-nepeo~a K 3JIeMeHTaM, CTORWMM 6naxe K CTO Ha%iJIy. 06LXCHeHHe OTMeYeHHO6 3aKOH-OMePHOCTA CBR3bIBaeTCR B naHHOfi p a 6 o~e C yMeHbWeHAeM CTeIIeHA JIOKaJIA3aUAA d-3JIeKTpOHOB B yKa3aHHOM PXAY 3JIeMeHTOB, KOTOpOe ~eMOHCTpHpyeTCR HaUlAMH PaCYeTaMH. COIIOCTaBJIeHAe PaCCYII-TaHHOrO 06'beMHOrO BKJIaAa B Y@3-CIIeKTpbl C 3KCIIepHMeHTaJIbHbIMH Y@3-CIIeKTpaMA II03BOJIReT 06HaPYXHTb B YQ3-CIIeKTpaX M O J I A~A~H~ A POAHR IIHKA, CBR3aHHbIe, BepOXTHee BCeTO, C IIOBep-XHOCTHOa 3JIeKTpOHHO6CTPYKTYpOk