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31 p, 9.5 MB Low-Energy Phases of Bi Monolayer Predicted by Structure Search in Two Dimensions / Singh, Sobhit (Rutgers University. Department of Physics and Astronomy) ; Zanolli, Zeila (Institut Català de Nanociència i Nanotecnologia) ; Amsler, Maximilian (Cornell University) ; Belhadji, Brahim (Université de Liège) ; Sofo, Jorge O. (Pennsylvania State University) ; Verstraete, Matthieu J. (Institut Català de Nanociència i Nanotecnologia) ; Romero, Aldo (West Virginia University. Physics and Astronomy Department)
We employ an ab-initio structure search algorithm to explore the configurational space of bismuth in quasi-two dimensions. A confinement potential is introduced to restrict the movement of atoms within a predefined thickness to find the stable and metastable forms of monolayer Bi. [...]
2019 - 10.1021/acs.jpclett.9b03043
Journal of physical chemistry letters, Vol. 10, Issue 23 (December 2019) , p. 7324-7332  

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