Enhanced efficiency of p -type doping by band-offset effect in wurtzite and zinc-blende GaAs/InAs-core-shell nanowires

Changsheng Song; Jiqing Wang; Weixian Lin; Huibing Mao; Qiang Zhao; Pingxiong Yang; Huaizhong Xing

doi:10.1063/1.4894442

Enhanced efficiency of p -type doping by band-offset effect in wurtzite and zinc-blende GaAs/InAs-core-shell nanowires

Changsheng Song
, Jiqing Wang
, Weixian Lin
, Huibing Mao
, Qiang Zhao
, Pingxiong Yang
, Huaizhong Xing

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

2 Scopus citations

Abstract

Using first principles calculation based on density-functional theory, we investigated p-type electronic structures and the doping mechanism in wurtzite (WZ) and zinc-blende (ZB) GaAs/InAs-core-shell nanowires (NWs) along the [0001] and [111] directions, respectively. Comparing the doping in WZ and ZB core-shell NWs, we found it is easier and more stable to realize dopant in WZ NWs. Due to the type I band-offset, p-type doping in the GaAs-core of GaAs_core/InAs_shell for both WZ and ZB NWs makes that the valence band-edge electrons in the InAs-shell can spontaneously transfer to the impurity states, forming one-dimensional hole gas. In particular, this process accompanies with a reverse transition in WZ core-shell nanowire due to the existence of antibonding and bonding states.

Original language	English
Article number	093704
Journal	Journal of Applied Physics
Volume	116
Issue number	9
DOIs	https://doi.org/10.1063/1.4894442
State	Published - 7 Sep 2014
Externally published	Yes

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title = "Enhanced efficiency of p -type doping by band-offset effect in wurtzite and zinc-blende GaAs/InAs-core-shell nanowires",

abstract = "Using first principles calculation based on density-functional theory, we investigated p-type electronic structures and the doping mechanism in wurtzite (WZ) and zinc-blende (ZB) GaAs/InAs-core-shell nanowires (NWs) along the [0001] and [111] directions, respectively. Comparing the doping in WZ and ZB core-shell NWs, we found it is easier and more stable to realize dopant in WZ NWs. Due to the type I band-offset, p-type doping in the GaAs-core of GaAscore/InAsshell for both WZ and ZB NWs makes that the valence band-edge electrons in the InAs-shell can spontaneously transfer to the impurity states, forming one-dimensional hole gas. In particular, this process accompanies with a reverse transition in WZ core-shell nanowire due to the existence of antibonding and bonding states.",

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AU - Song, Changsheng

AU - Wang, Jiqing

AU - Lin, Weixian

AU - Mao, Huibing

AU - Zhao, Qiang

AU - Yang, Pingxiong

AU - Xing, Huaizhong

PY - 2014/9/7

Y1 - 2014/9/7

N2 - Using first principles calculation based on density-functional theory, we investigated p-type electronic structures and the doping mechanism in wurtzite (WZ) and zinc-blende (ZB) GaAs/InAs-core-shell nanowires (NWs) along the [0001] and [111] directions, respectively. Comparing the doping in WZ and ZB core-shell NWs, we found it is easier and more stable to realize dopant in WZ NWs. Due to the type I band-offset, p-type doping in the GaAs-core of GaAscore/InAsshell for both WZ and ZB NWs makes that the valence band-edge electrons in the InAs-shell can spontaneously transfer to the impurity states, forming one-dimensional hole gas. In particular, this process accompanies with a reverse transition in WZ core-shell nanowire due to the existence of antibonding and bonding states.

AB - Using first principles calculation based on density-functional theory, we investigated p-type electronic structures and the doping mechanism in wurtzite (WZ) and zinc-blende (ZB) GaAs/InAs-core-shell nanowires (NWs) along the [0001] and [111] directions, respectively. Comparing the doping in WZ and ZB core-shell NWs, we found it is easier and more stable to realize dopant in WZ NWs. Due to the type I band-offset, p-type doping in the GaAs-core of GaAscore/InAsshell for both WZ and ZB NWs makes that the valence band-edge electrons in the InAs-shell can spontaneously transfer to the impurity states, forming one-dimensional hole gas. In particular, this process accompanies with a reverse transition in WZ core-shell nanowire due to the existence of antibonding and bonding states.

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ER -

Enhanced efficiency of p -type doping by band-offset effect in wurtzite and zinc-blende GaAs/InAs-core-shell nanowires

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