First-principles molecular dynamics studies of diffusion processes in crystalline silicon

G. L. Chiarotti; F. Buda; E. Smargiassi; R. Car; M. Parrinello

First-principles molecular dynamics studies of diffusion processes in crystalline silicon

G. L. Chiarotti, F. Buda, E. Smargiassi, R. Car, M. Parrinello

Research output: Contribution to journal › Conference article › peer-review

Abstract

We present a theoretical investigation of hydrogen diffusion and of vacancy induced self diffusion in crystalline silicon, via first-principle molecular dynamics simulations. We show that, in the high temperature regime, both processes are characterized by important dynamical effects.

Original language	English (US)
Pages (from-to)	175-189
Number of pages	15
Journal	Proceedings - The Electrochemical Society
Volume	91
Issue number	4
State	Published - 1991
Externally published	Yes
Event	Symposium on Process Physics and Modeling in Semiconductor Technology - Montreal, Que, Can Duration: May 1 1990 → May 1 1990

All Science Journal Classification (ASJC) codes

General Engineering

Cite this

@article{d083cd17fdfb404a8a202a74e61f5868,

title = "First-principles molecular dynamics studies of diffusion processes in crystalline silicon",

abstract = "We present a theoretical investigation of hydrogen diffusion and of vacancy induced self diffusion in crystalline silicon, via first-principle molecular dynamics simulations. We show that, in the high temperature regime, both processes are characterized by important dynamical effects.",

author = "Chiarotti, \{G. L.\} and F. Buda and E. Smargiassi and R. Car and M. Parrinello",

year = "1991",

language = "English (US)",

volume = "91",

pages = "175--189",

journal = "Proceedings - The Electrochemical Society",

issn = "0161-6374",

number = "4",

note = "Symposium on Process Physics and Modeling in Semiconductor Technology ; Conference date: 01-05-1990 Through 01-05-1990",

}

TY - JOUR

T1 - First-principles molecular dynamics studies of diffusion processes in crystalline silicon

AU - Chiarotti, G. L.

AU - Buda, F.

AU - Smargiassi, E.

AU - Car, R.

AU - Parrinello, M.

PY - 1991

Y1 - 1991

N2 - We present a theoretical investigation of hydrogen diffusion and of vacancy induced self diffusion in crystalline silicon, via first-principle molecular dynamics simulations. We show that, in the high temperature regime, both processes are characterized by important dynamical effects.

AB - We present a theoretical investigation of hydrogen diffusion and of vacancy induced self diffusion in crystalline silicon, via first-principle molecular dynamics simulations. We show that, in the high temperature regime, both processes are characterized by important dynamical effects.

UR - https://www.scopus.com/pages/publications/0025808420

UR - https://www.scopus.com/inward/citedby.url?scp=0025808420&partnerID=8YFLogxK

M3 - Conference article

AN - SCOPUS:0025808420

SN - 0161-6374

VL - 91

SP - 175

EP - 189

JO - Proceedings - The Electrochemical Society

JF - Proceedings - The Electrochemical Society

IS - 4

T2 - Symposium on Process Physics and Modeling in Semiconductor Technology

Y2 - 1 May 1990 through 1 May 1990

ER -

First-principles molecular dynamics studies of diffusion processes in crystalline silicon

Abstract

All Science Journal Classification (ASJC) codes

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