Variational spherical model of small metallic particles

J. L. Martins; Roberto Car; J. Buttet

doi:10.1016/0039-6028(81)90210-7

Variational spherical model of small metallic particles

J. L. Martins, Roberto Car, J. Buttet

Research output: Contribution to journal › Article › peer-review

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Abstract

We study the structural and electronic properties of simple metal clusters with a model based on the density functional formalism. Our model takes into account electron relaxation effects and the lattice structure through the introduction of pseudopotentials. Results for the ionization potential and electron affinity, binding and surface energies and lattice relaxation are presented for bcc and icosahedral Na clusters having up to 350 atoms.

Original language	English (US)
Pages (from-to)	265-271
Number of pages	7
Journal	Surface Science
Volume	106
Issue number	1-3
DOIs	https://doi.org/10.1016/0039-6028(81)90210-7
State	Published - May 1 1981

All Science Journal Classification (ASJC) codes

Condensed Matter Physics
Surfaces and Interfaces
Surfaces, Coatings and Films
Materials Chemistry

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10.1016/0039-6028(81)90210-7

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title = "Variational spherical model of small metallic particles",

abstract = "We study the structural and electronic properties of simple metal clusters with a model based on the density functional formalism. Our model takes into account electron relaxation effects and the lattice structure through the introduction of pseudopotentials. Results for the ionization potential and electron affinity, binding and surface energies and lattice relaxation are presented for bcc and icosahedral Na clusters having up to 350 atoms.",

author = "Martins, {J. L.} and Roberto Car and J. Buttet",

year = "1981",

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doi = "10.1016/0039-6028(81)90210-7",

language = "English (US)",

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TY - JOUR

T1 - Variational spherical model of small metallic particles

AU - Martins, J. L.

AU - Car, Roberto

AU - Buttet, J.

PY - 1981/5/1

Y1 - 1981/5/1

N2 - We study the structural and electronic properties of simple metal clusters with a model based on the density functional formalism. Our model takes into account electron relaxation effects and the lattice structure through the introduction of pseudopotentials. Results for the ionization potential and electron affinity, binding and surface energies and lattice relaxation are presented for bcc and icosahedral Na clusters having up to 350 atoms.

AB - We study the structural and electronic properties of simple metal clusters with a model based on the density functional formalism. Our model takes into account electron relaxation effects and the lattice structure through the introduction of pseudopotentials. Results for the ionization potential and electron affinity, binding and surface energies and lattice relaxation are presented for bcc and icosahedral Na clusters having up to 350 atoms.

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UR - http://www.scopus.com/inward/citedby.url?scp=0000978310&partnerID=8YFLogxK

U2 - 10.1016/0039-6028(81)90210-7

DO - 10.1016/0039-6028(81)90210-7

M3 - Article

AN - SCOPUS:0000978310

SN - 0039-6028

VL - 106

SP - 265

EP - 271

JO - Surface Science

JF - Surface Science

IS - 1-3

ER -

Variational spherical model of small metallic particles

Abstract

All Science Journal Classification (ASJC) codes

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