Geometric and electronic structure of PdMn bimetallic systems on Pd(100)
(2002) In Physical Review B (Condensed Matter and Materials Physics) 65(3).- Abstract
- An experimental and theoretical study of PdMn bimetallic systems formed on Pd(100) is presented. It is shown that a flat Mn monolayer can be formed at 90 K. A comparison of calculated Mn 3d density-of-states and experimental valence photoemission and x-ray-absorption results suggests that the monolayer is antiferromagnetic, in line with earlier predictions. A similar comparison for the Pd(100)-Mn-c(2 X 2) alloy formed after annealing to 570 K suggests a two-layer-thick alloy consisting of Pd and Mn atoms arranged in a checkerboard pattern. Core level photoemission results are consistent with this conjecture in that three different types of Pd atoms bonded to Mn atoms are found. Total energy calculations demonstrate, however, that a... (More)
- An experimental and theoretical study of PdMn bimetallic systems formed on Pd(100) is presented. It is shown that a flat Mn monolayer can be formed at 90 K. A comparison of calculated Mn 3d density-of-states and experimental valence photoemission and x-ray-absorption results suggests that the monolayer is antiferromagnetic, in line with earlier predictions. A similar comparison for the Pd(100)-Mn-c(2 X 2) alloy formed after annealing to 570 K suggests a two-layer-thick alloy consisting of Pd and Mn atoms arranged in a checkerboard pattern. Core level photoemission results are consistent with this conjecture in that three different types of Pd atoms bonded to Mn atoms are found. Total energy calculations demonstrate, however, that a Pd-capped Cu3Au structure is energetically more favorable, but the system is not able to reach this state at the used annealing temperature. Kinetic thresholds must be overcome by heating and this is shown by the experimental trend in which the Mn atoms are situated at the surface at lower temperatures. Relaxation effects were also calculated and the surface layer of the PdMn-terminated c(2 X 2) alloy was found to be buckled with the Pd atoms situated above the Mn atoms, in quantitative agreement with a previous low-energy electron diffraction study. (Less)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/910199
- author
- Sandell, Anders LU ; Andersson, PH ; Holstrom, E ; Jaworowski, AJ and Nordstrom, L
- organization
- publishing date
- 2002
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Physical Review B (Condensed Matter and Materials Physics)
- volume
- 65
- issue
- 3
- publisher
- American Physical Society
- external identifiers
-
- wos:000173448900097
- scopus:0037080978
- ISSN
- 1098-0121
- DOI
- 10.1103/PhysRevB.65.035410
- language
- English
- LU publication?
- yes
- id
- 715993fd-17a0-45d9-a981-c827fe04ca47 (old id 910199)
- date added to LUP
- 2016-04-01 15:46:43
- date last changed
- 2022-02-27 08:40:51
@article{715993fd-17a0-45d9-a981-c827fe04ca47,
abstract = {{An experimental and theoretical study of PdMn bimetallic systems formed on Pd(100) is presented. It is shown that a flat Mn monolayer can be formed at 90 K. A comparison of calculated Mn 3d density-of-states and experimental valence photoemission and x-ray-absorption results suggests that the monolayer is antiferromagnetic, in line with earlier predictions. A similar comparison for the Pd(100)-Mn-c(2 X 2) alloy formed after annealing to 570 K suggests a two-layer-thick alloy consisting of Pd and Mn atoms arranged in a checkerboard pattern. Core level photoemission results are consistent with this conjecture in that three different types of Pd atoms bonded to Mn atoms are found. Total energy calculations demonstrate, however, that a Pd-capped Cu3Au structure is energetically more favorable, but the system is not able to reach this state at the used annealing temperature. Kinetic thresholds must be overcome by heating and this is shown by the experimental trend in which the Mn atoms are situated at the surface at lower temperatures. Relaxation effects were also calculated and the surface layer of the PdMn-terminated c(2 X 2) alloy was found to be buckled with the Pd atoms situated above the Mn atoms, in quantitative agreement with a previous low-energy electron diffraction study.}},
author = {{Sandell, Anders and Andersson, PH and Holstrom, E and Jaworowski, AJ and Nordstrom, L}},
issn = {{1098-0121}},
language = {{eng}},
number = {{3}},
publisher = {{American Physical Society}},
series = {{Physical Review B (Condensed Matter and Materials Physics)}},
title = {{Geometric and electronic structure of PdMn bimetallic systems on Pd(100)}},
url = {{http://dx.doi.org/10.1103/PhysRevB.65.035410}},
doi = {{10.1103/PhysRevB.65.035410}},
volume = {{65}},
year = {{2002}},
}