Icosahedral growth and non-metal-metal transition in strontium clusters

Vijay Kumar; Yoshiyuki Kawazoe

doi:10.1016/S1359-6462(01)00828-4

Icosahedral growth and non-metal-metal transition in strontium clusters

Vijay Kumar, Yoshiyuki Kawazoe

New Industry Creation Hatchery Center (NICHe)

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

3 Citations (Scopus)

Abstract

The sp-d hybridization in Sr clusters is investigated. It is shown that this hybridization leads to an icosahedral growth. The calculations are carried out using the ab initio molecular dynamics method with a plane wave basis and ultrasoft pseudopotentials.

Original language	English
Pages (from-to)	1949-1953
Number of pages	5
Journal	Scripta Materialia
Volume	44
Issue number	8-9
DOIs	https://doi.org/10.1016/S1359-6462(01)00828-4
Publication status	Published - 2001 May 18

Keywords

Electrical properties
Growth
Theory

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10.1016/S1359-6462(01)00828-4

Cite this

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title = "Icosahedral growth and non-metal-metal transition in strontium clusters",

abstract = "The sp-d hybridization in Sr clusters is investigated. It is shown that this hybridization leads to an icosahedral growth. The calculations are carried out using the ab initio molecular dynamics method with a plane wave basis and ultrasoft pseudopotentials.",

keywords = "Electrical properties, Growth, Theory",

author = "Vijay Kumar and Yoshiyuki Kawazoe",

year = "2001",

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T1 - Icosahedral growth and non-metal-metal transition in strontium clusters

AU - Kumar, Vijay

AU - Kawazoe, Yoshiyuki

PY - 2001/5/18

Y1 - 2001/5/18

N2 - The sp-d hybridization in Sr clusters is investigated. It is shown that this hybridization leads to an icosahedral growth. The calculations are carried out using the ab initio molecular dynamics method with a plane wave basis and ultrasoft pseudopotentials.

AB - The sp-d hybridization in Sr clusters is investigated. It is shown that this hybridization leads to an icosahedral growth. The calculations are carried out using the ab initio molecular dynamics method with a plane wave basis and ultrasoft pseudopotentials.

KW - Electrical properties

KW - Growth

KW - Theory

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U2 - 10.1016/S1359-6462(01)00828-4

DO - 10.1016/S1359-6462(01)00828-4

M3 - Article

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SN - 1359-6462

VL - 44

SP - 1949

EP - 1953

JO - Scripta Materialia

JF - Scripta Materialia

IS - 8-9

ER -

Icosahedral growth and non-metal-metal transition in strontium clusters

Abstract

Keywords

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