dorsal/arxiv
View SchemaInterrelation of work function and surface stability: the case of BaAl4
| Authors | M. A. Uijttewaal, G. A. de Wijs, R. A. de Groot, R. Coehoorn, V. van Elsbergen, C. H. L. Weijtens |
|---|---|
| Categories | |
| ArXiv ID | physics/0505176 |
| URL | https://arxiv.org/abs/physics/0505176 |
Abstract
The relationship between the work function (Phi) and the surface stability of compounds is, to our knowledge, unknown, but very important for applications such as organic light-emitting diodes. This relation is studied using first-principles calculations on various surfaces of BaAl4. The most stable surface [Ba terminated (001)] has the lowest Phi (1.95 eV), which is lower than that of any elemental metal including Ba. Adding barium to this surface neither increases its stability nor lowers its work function. BaAl4 is also strongly bound. These results run counter to the common perception that stability and a low Phi are incompatible. Furthermore, a large anisotropy and a stable low-work-function surface are predicted for intermetallic compounds with polar surfaces.
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"date_created": "2026-03-02T18:00:56.877000Z",
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"abstract": "The relationship between the work function (Phi) and the surface stability of\ncompounds is, to our knowledge, unknown, but very important for applications\nsuch as organic light-emitting diodes. This relation is studied using\nfirst-principles calculations on various surfaces of BaAl4. The most stable\nsurface [Ba terminated (001)] has the lowest Phi (1.95 eV), which is lower than\nthat of any elemental metal including Ba. Adding barium to this surface neither\nincreases its stability nor lowers its work function. BaAl4 is also strongly\nbound. These results run counter to the common perception that stability and a\nlow Phi are incompatible. Furthermore, a large anisotropy and a stable\nlow-work-function surface are predicted for intermetallic compounds with polar\nsurfaces.",
"arxiv_id": "physics/0505176",
"authors": [
"M. A. Uijttewaal",
"G. A. de Wijs",
"R. A. de Groot",
"R. Coehoorn",
"V. van Elsbergen",
"C. H. L. Weijtens"
],
"categories": [
"physics.comp-ph"
],
"title": "Interrelation of work function and surface stability: the case of BaAl4",
"url": "https://arxiv.org/abs/physics/0505176"
},
"schema_id": "dorsal/arxiv",
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