High-Throughput Investigation of the Electron Transport Properties in Si-GeAlloys

Bamidele Ibrahim Adetunji; Andrew Supka; Marco Fornari; Arrigo Calzolari

doi:10.1109/ACCESS.2021.3119898

High-Throughput Investigation of the Electron Transport Properties in Si-GeAlloys

Bamidele Ibrahim Adetunji, Andrew Supka, Marco Fornari, Arrigo Calzolari

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

Abstract

Si1-xGex alloys are among the most used materials for power electronics and quantum technology. In most engineering models the parameters used to simulate the material and its electronic transport properties are derived from experimental results using simple semiempirical approaches. In this paper, we present a high-throughput study of the electron transport properties in Si1-xGex alloys, based on the combination of atomistic first principles calculations and statistical analysis. Our results clarify the effects of the Ge concentration and of disorder on the properties of the Si1-xGex alloy. We discuss the results in comparison with existing semiempirical methods and we provide a Ge-dependent set of transport parameters that can be used in device modeling.

Original language	English
Pages (from-to)	141121-141130
Number of pages	10
Journal	IEEE Access
Volume	9
DOIs	https://doi.org/10.1109/ACCESS.2021.3119898
State	Published - 2021

Keywords

DFT simulations
SiGe
transport properties

Access to Document

10.1109/ACCESS.2021.3119898

Cite this

@article{3d2040bda1ca4a92b7906418cc7b3fa2,

title = "High-Throughput Investigation of the Electron Transport Properties in Si-GeAlloys",

abstract = "Si1-xGex alloys are among the most used materials for power electronics and quantum technology. In most engineering models the parameters used to simulate the material and its electronic transport properties are derived from experimental results using simple semiempirical approaches. In this paper, we present a high-throughput study of the electron transport properties in Si1-xGex alloys, based on the combination of atomistic first principles calculations and statistical analysis. Our results clarify the effects of the Ge concentration and of disorder on the properties of the Si1-xGex alloy. We discuss the results in comparison with existing semiempirical methods and we provide a Ge-dependent set of transport parameters that can be used in device modeling.",

keywords = "DFT simulations, SiGe, transport properties",

author = "Adetunji, {Bamidele Ibrahim} and Andrew Supka and Marco Fornari and Arrigo Calzolari",

note = "Funding Information: This work was supported in part by the European Commission (EC) through Horizon 2020 Research and Innovation Program under Grant 829005 project (IQubits). Publisher Copyright: {\textcopyright} 2013 IEEE.",

year = "2021",

doi = "10.1109/ACCESS.2021.3119898",

language = "English",

volume = "9",

pages = "141121--141130",

journal = "IEEE Access",

issn = "2169-3536",

publisher = "IEEE Access",

}

TY - JOUR

T1 - High-Throughput Investigation of the Electron Transport Properties in Si-GeAlloys

AU - Adetunji, Bamidele Ibrahim

AU - Supka, Andrew

AU - Fornari, Marco

AU - Calzolari, Arrigo

N1 - Funding Information: This work was supported in part by the European Commission (EC) through Horizon 2020 Research and Innovation Program under Grant 829005 project (IQubits). Publisher Copyright: © 2013 IEEE.

PY - 2021

Y1 - 2021

N2 - Si1-xGex alloys are among the most used materials for power electronics and quantum technology. In most engineering models the parameters used to simulate the material and its electronic transport properties are derived from experimental results using simple semiempirical approaches. In this paper, we present a high-throughput study of the electron transport properties in Si1-xGex alloys, based on the combination of atomistic first principles calculations and statistical analysis. Our results clarify the effects of the Ge concentration and of disorder on the properties of the Si1-xGex alloy. We discuss the results in comparison with existing semiempirical methods and we provide a Ge-dependent set of transport parameters that can be used in device modeling.

AB - Si1-xGex alloys are among the most used materials for power electronics and quantum technology. In most engineering models the parameters used to simulate the material and its electronic transport properties are derived from experimental results using simple semiempirical approaches. In this paper, we present a high-throughput study of the electron transport properties in Si1-xGex alloys, based on the combination of atomistic first principles calculations and statistical analysis. Our results clarify the effects of the Ge concentration and of disorder on the properties of the Si1-xGex alloy. We discuss the results in comparison with existing semiempirical methods and we provide a Ge-dependent set of transport parameters that can be used in device modeling.

KW - DFT simulations

KW - SiGe

KW - transport properties

UR - http://www.scopus.com/inward/record.url?scp=85117764257&partnerID=8YFLogxK

U2 - 10.1109/ACCESS.2021.3119898

DO - 10.1109/ACCESS.2021.3119898

M3 - Article

AN - SCOPUS:85117764257

SN - 2169-3536

VL - 9

SP - 141121

EP - 141130

JO - IEEE Access

JF - IEEE Access

ER -

High-Throughput Investigation of the Electron Transport Properties in Si-GeAlloys

Abstract

Keywords

Access to Document

Other files and links

Fingerprint

Cite this