Charging effects on the vibrational properties of Au and Au2 on MgO(100)

Jong Hwan Park; Jeong Woo Yang; Min Gyo Byun; Nong Moon Hwang; Jinwoo Park; Byung Deok Yu

doi:10.1016/j.cap.2022.01.003

Charging effects on the vibrational properties of Au and Au₂ on MgO(100)

Jong Hwan Park, Jeong Woo Yang, Min Gyo Byun, Nong Moon Hwang, Jinwoo Park, Byung Deok Yu

Department of Physics

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

Abstract

Vibrational spectra of charge-neutral and charged Au and Au₂ on MgO(100) were investigated using ab-initio density functional perturbation theory. The calculated vibrational spectra showed vibrational features associated with the charge states of Au and Au₂ on MgO(100). Further analyses of surface in-plane and normal phonon modes of Au and Au₂ on MgO(100) were performed to extract vibrational features involving the Au modes. These features provide important information for experimentally explaining the charge states of Au and Au₂ on MgO(100).

Original language	English
Pages (from-to)	34-42
Number of pages	9
Journal	Current Applied Physics
Volume	36
DOIs	https://doi.org/10.1016/j.cap.2022.01.003
State	Published - Apr 2022

Keywords

Ab-initio calculations
Au dimer
Au monomer
Charging effects
MgO(100) surfaces
Vibration

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10.1016/j.cap.2022.01.003

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title = "Charging effects on the vibrational properties of Au and Au2 on MgO(100)",

abstract = "Vibrational spectra of charge-neutral and charged Au and Au2 on MgO(100) were investigated using ab-initio density functional perturbation theory. The calculated vibrational spectra showed vibrational features associated with the charge states of Au and Au2 on MgO(100). Further analyses of surface in-plane and normal phonon modes of Au and Au2 on MgO(100) were performed to extract vibrational features involving the Au modes. These features provide important information for experimentally explaining the charge states of Au and Au2 on MgO(100).",

keywords = "Ab-initio calculations, Au dimer, Au monomer, Charging effects, MgO(100) surfaces, Vibration",

author = "Park, {Jong Hwan} and Yang, {Jeong Woo} and Byun, {Min Gyo} and Hwang, {Nong Moon} and Jinwoo Park and Yu, {Byung Deok}",

note = "Publisher Copyright: {\textcopyright} 2022 Korean Physical Society",

year = "2022",

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doi = "10.1016/j.cap.2022.01.003",

language = "English",

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T1 - Charging effects on the vibrational properties of Au and Au2 on MgO(100)

AU - Park, Jong Hwan

AU - Yang, Jeong Woo

AU - Byun, Min Gyo

AU - Hwang, Nong Moon

AU - Park, Jinwoo

AU - Yu, Byung Deok

PY - 2022/4

Y1 - 2022/4

N2 - Vibrational spectra of charge-neutral and charged Au and Au2 on MgO(100) were investigated using ab-initio density functional perturbation theory. The calculated vibrational spectra showed vibrational features associated with the charge states of Au and Au2 on MgO(100). Further analyses of surface in-plane and normal phonon modes of Au and Au2 on MgO(100) were performed to extract vibrational features involving the Au modes. These features provide important information for experimentally explaining the charge states of Au and Au2 on MgO(100).

AB - Vibrational spectra of charge-neutral and charged Au and Au2 on MgO(100) were investigated using ab-initio density functional perturbation theory. The calculated vibrational spectra showed vibrational features associated with the charge states of Au and Au2 on MgO(100). Further analyses of surface in-plane and normal phonon modes of Au and Au2 on MgO(100) were performed to extract vibrational features involving the Au modes. These features provide important information for experimentally explaining the charge states of Au and Au2 on MgO(100).

KW - Ab-initio calculations

KW - Au dimer

KW - Au monomer

KW - Charging effects

KW - MgO(100) surfaces

KW - Vibration

UR - http://www.scopus.com/inward/record.url?scp=85123032837&partnerID=8YFLogxK

U2 - 10.1016/j.cap.2022.01.003

DO - 10.1016/j.cap.2022.01.003

M3 - Article

AN - SCOPUS:85123032837

SN - 1567-1739

VL - 36

SP - 34

EP - 42

JO - Current Applied Physics

JF - Current Applied Physics

ER -

Charging effects on the vibrational properties of Au and Au₂ on MgO(100)

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