dorsal/arxiv
View SchemaOn the observed irregular melting temperatures of free sodium clusters
| Authors | S. Chacko, D. G. Kanhere, S. A. Blundell |
|---|---|
| Categories | |
| ArXiv ID | physics/0408098 |
| URL | https://arxiv.org/abs/physics/0408098 |
Abstract
Density--functional simulations have been performed on Na$_{55}$, Na$_{92}$ and Na$_{142}$ clusters in order to understand the experimentally observed melting properties [M. Schmidt \textit{et al.}, Nature (London) \textbf{393}, 238 (1998)]. The calculated melting temperatures are in excellent agreement with the experimental ones. The calculations reveal a rather subtle interplay between geometric and electronic shell effects, and bring out the fact that the quantum mechanical description of the metallic bonding is crucial for understanding quantitatively the variation in melting temperatures observed experimentally.
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"abstract": "Density--functional simulations have been performed on Na$_{55}$, Na$_{92}$\nand Na$_{142}$ clusters in order to understand the experimentally observed\nmelting properties [M. Schmidt \\textit{et al.}, Nature (London) \\textbf{393},\n238 (1998)]. The calculated melting temperatures are in excellent agreement\nwith the experimental ones. The calculations reveal a rather subtle interplay\nbetween geometric and electronic shell effects, and bring out the fact that the\nquantum mechanical description of the metallic bonding is crucial for\nunderstanding quantitatively the variation in melting temperatures observed\nexperimentally.",
"arxiv_id": "physics/0408098",
"authors": [
"S. Chacko",
"D. G. Kanhere",
"S. A. Blundell"
],
"categories": [
"physics.atm-clus",
"cond-mat.mtrl-sci"
],
"title": "On the observed irregular melting temperatures of free sodium clusters",
"url": "https://arxiv.org/abs/physics/0408098"
},
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