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[en] Ab-initio molecular dynamics simulations in NVT ensemble have been performed to investigate the finite temperature structure of surfaces Cs(001) and Cs(110) and the thermal effect on the work function. We find that at T= 223 K, which is below the melting temperature of Cs, the Cs atoms remain in their bulk-like position and the work function values are close to the zero temperature values. In contrast, at the operating temperature 423 K, a phase transition to liquid phase occurs within the two topmost layers for both surfaces. As a result, the work function becomes insensitive to the choice of a particular surface as both values converge to same value. (authors)
Source
Viglasova, E. (ed.) (Department of Inorganic Chemistry, Faculty of Natural Sciences, Comenius University, Bratislava (Slovakia)); Dzugasova, V. (ed.); Kondekova, M. (ed.) (Department of Anthropology, Faculty of Natural Sciences, Comenius University, Bratislava (Slovakia)); Sebechlebska, T. (ed.) (Department of Physical and Theretical Chemistry, Faculty of Natural Sciences, Comenius University, Bratislava (Slovakia)); Gajanova, D. (ed.) (Department of Anthropology, Faculty of Natural Sciences, Comenius University, Bratislava (Slovakia)); Faculty of Natural Sciences, Comenius University, Bratislava (Slovakia); 1100 p; ISBN 978-80-223-5032-7; 
; 18 Nov 2020; p. 780-785; Student Scientific Conference PriF UK 2020; Studentska vedecka konferencia PriF UK 2020; Bratislava (Slovakia); 17 Dec 2020; EUROFUSION CONSORTIUM THE EURATOM RESEARCH GRANT 633053; PROJECTS APVV-15-0105 AND VEGA-1/0777/19; PROGRAM ERDF-PROJECT ITMS 26230120002 AND 2621012002; Also available from http://fns.uniba.sk/studium/svk/zborniky-svk/; 6 figs., 15 refs.; Published only on the web 36.68 MBytes in PDF format
; 18 Nov 2020; p. 780-785; Student Scientific Conference PriF UK 2020; Studentska vedecka konferencia PriF UK 2020; Bratislava (Slovakia); 17 Dec 2020; EUROFUSION CONSORTIUM THE EURATOM RESEARCH GRANT 633053; PROJECTS APVV-15-0105 AND VEGA-1/0777/19; PROGRAM ERDF-PROJECT ITMS 26230120002 AND 2621012002; Also available from http://fns.uniba.sk/studium/svk/zborniky-svk/; 6 figs., 15 refs.; Published only on the web 36.68 MBytes in PDF format