Adsorption-enhanced spin-orbit coupling of buckled honeycomb silicon

Jia Tao Sun; Wei Chen; Kazuyuki Sakamoto; Yuan Ping Feng; Andrew T.S. Wee

doi:10.1016/j.physe.2016.04.022

Adsorption-enhanced spin-orbit coupling of buckled honeycomb silicon

Jia Tao Sun^*, Wei Chen, Kazuyuki Sakamoto, Yuan Ping Feng, Andrew T.S. Wee

^*Corresponding author for this work

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

Abstract

We have studied the electronic structures of quasi-two-dimensional buckled honeycomb silicon (BHS) saturated by atomic hydrogen and fluorine by means of first-principles calculations. The graphene-like hexagonal silicon with chair configurations can be stabilized by atomic hydrogen and fluorine adsorption. Together with a magnetic ground state, large spin-orbit coupling (SOC) of BHS saturated by hydrogen on either side (Semi-H-BHS) indicated by the band splitting of σ bond at Γ point in the Brillouin zone is attributed to the intermixing between the density of states of hydrogen atoms and π bonds of unpassivated Si₂ around the Fermi level. The Zeeman spin splitting is most likely caused by the internal electric field induced by asymmetric charge transfer.

Original language	English
Pages (from-to)	141-145
Number of pages	5
Journal	Physica E: Low-Dimensional Systems and Nanostructures
Volume	83
DOIs	https://doi.org/10.1016/j.physe.2016.04.022
Publication status	Published - 1 Sept 2016
Externally published	Yes

Keywords

Density functional theory
Silicene
Spin-orbit coupling
Spintronics

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10.1016/j.physe.2016.04.022

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title = "Adsorption-enhanced spin-orbit coupling of buckled honeycomb silicon",

abstract = "We have studied the electronic structures of quasi-two-dimensional buckled honeycomb silicon (BHS) saturated by atomic hydrogen and fluorine by means of first-principles calculations. The graphene-like hexagonal silicon with chair configurations can be stabilized by atomic hydrogen and fluorine adsorption. Together with a magnetic ground state, large spin-orbit coupling (SOC) of BHS saturated by hydrogen on either side (Semi-H-BHS) indicated by the band splitting of σ bond at Γ point in the Brillouin zone is attributed to the intermixing between the density of states of hydrogen atoms and π bonds of unpassivated Si2 around the Fermi level. The Zeeman spin splitting is most likely caused by the internal electric field induced by asymmetric charge transfer.",

keywords = "Density functional theory, Silicene, Spin-orbit coupling, Spintronics",

author = "Sun, {Jia Tao} and Wei Chen and Kazuyuki Sakamoto and Feng, {Yuan Ping} and Wee, {Andrew T.S.}",

year = "2016",

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doi = "10.1016/j.physe.2016.04.022",

language = "English",

volume = "83",

pages = "141--145",

journal = "Physica E: Low-Dimensional Systems and Nanostructures",

issn = "1386-9477",

publisher = "Elsevier B.V.",

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TY - JOUR

T1 - Adsorption-enhanced spin-orbit coupling of buckled honeycomb silicon

AU - Sun, Jia Tao

AU - Chen, Wei

AU - Sakamoto, Kazuyuki

AU - Feng, Yuan Ping

AU - Wee, Andrew T.S.

PY - 2016/9/1

Y1 - 2016/9/1

N2 - We have studied the electronic structures of quasi-two-dimensional buckled honeycomb silicon (BHS) saturated by atomic hydrogen and fluorine by means of first-principles calculations. The graphene-like hexagonal silicon with chair configurations can be stabilized by atomic hydrogen and fluorine adsorption. Together with a magnetic ground state, large spin-orbit coupling (SOC) of BHS saturated by hydrogen on either side (Semi-H-BHS) indicated by the band splitting of σ bond at Γ point in the Brillouin zone is attributed to the intermixing between the density of states of hydrogen atoms and π bonds of unpassivated Si2 around the Fermi level. The Zeeman spin splitting is most likely caused by the internal electric field induced by asymmetric charge transfer.

AB - We have studied the electronic structures of quasi-two-dimensional buckled honeycomb silicon (BHS) saturated by atomic hydrogen and fluorine by means of first-principles calculations. The graphene-like hexagonal silicon with chair configurations can be stabilized by atomic hydrogen and fluorine adsorption. Together with a magnetic ground state, large spin-orbit coupling (SOC) of BHS saturated by hydrogen on either side (Semi-H-BHS) indicated by the band splitting of σ bond at Γ point in the Brillouin zone is attributed to the intermixing between the density of states of hydrogen atoms and π bonds of unpassivated Si2 around the Fermi level. The Zeeman spin splitting is most likely caused by the internal electric field induced by asymmetric charge transfer.

KW - Density functional theory

KW - Silicene

KW - Spin-orbit coupling

KW - Spintronics

UR - http://www.scopus.com/inward/record.url?scp=84966355964&partnerID=8YFLogxK

U2 - 10.1016/j.physe.2016.04.022

DO - 10.1016/j.physe.2016.04.022

M3 - Article

AN - SCOPUS:84966355964

SN - 1386-9477

VL - 83

SP - 141

EP - 145

JO - Physica E: Low-Dimensional Systems and Nanostructures

JF - Physica E: Low-Dimensional Systems and Nanostructures

ER -

Adsorption-enhanced spin-orbit coupling of buckled honeycomb silicon

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Keywords

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