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Title: Interplay between quantum confinement and surface effects in thickness selective stability of thin Ag and Eu films

Using first-principles calculations, we show that both face-centered cubic (fcc) Ag (1 1 0) ultrathin films and body-centered cubic (bcc) Eu(1 1 0) ultrathin films exhibit thickness selective stability. Furthermore, the origin of such thickness selection is different. While the thickness selective stability in fcc Ag(1 1 0) films is mainly due to the well-known quantum well states ascribed to the quantum confinement effects in free-electron-like metal films, the thickness selection in bcc Eu(1 1 0) films is more complex and also strongly correlated with the occupation of the surface and surface resonance states.
Authors:
 [1] ;  [2]
  1. Northeast Normal Univ., Changchun (People's Republic of China)
  2. Ames Lab. and Iowa State Univ., Ames, IA (United States)
Publication Date:
Report Number(s):
IS-J-9262
Journal ID: ISSN 0953-8984
Grant/Contract Number:
AC02-07CH11358
Type:
Accepted Manuscript
Journal Name:
Journal of Physics. Condensed Matter
Additional Journal Information:
Journal Volume: 29; Journal Issue: 18; Journal ID: ISSN 0953-8984
Publisher:
IOP Publishing
Research Org:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; surface states; quantum well states; thickness selective stability; first-principles calculation
OSTI Identifier:
1377863

Liu, Xiaojie, and Wang, Cai -Zhuang. Interplay between quantum confinement and surface effects in thickness selective stability of thin Ag and Eu films. United States: N. p., Web. doi:10.1088/1361-648X/aa6556.
Liu, Xiaojie, & Wang, Cai -Zhuang. Interplay between quantum confinement and surface effects in thickness selective stability of thin Ag and Eu films. United States. doi:10.1088/1361-648X/aa6556.
Liu, Xiaojie, and Wang, Cai -Zhuang. 2017. "Interplay between quantum confinement and surface effects in thickness selective stability of thin Ag and Eu films". United States. doi:10.1088/1361-648X/aa6556. https://www.osti.gov/servlets/purl/1377863.
@article{osti_1377863,
title = {Interplay between quantum confinement and surface effects in thickness selective stability of thin Ag and Eu films},
author = {Liu, Xiaojie and Wang, Cai -Zhuang},
abstractNote = {Using first-principles calculations, we show that both face-centered cubic (fcc) Ag (1 1 0) ultrathin films and body-centered cubic (bcc) Eu(1 1 0) ultrathin films exhibit thickness selective stability. Furthermore, the origin of such thickness selection is different. While the thickness selective stability in fcc Ag(1 1 0) films is mainly due to the well-known quantum well states ascribed to the quantum confinement effects in free-electron-like metal films, the thickness selection in bcc Eu(1 1 0) films is more complex and also strongly correlated with the occupation of the surface and surface resonance states.},
doi = {10.1088/1361-648X/aa6556},
journal = {Journal of Physics. Condensed Matter},
number = 18,
volume = 29,
place = {United States},
year = {2017},
month = {4}
}