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Abstract
By performing first-principles calculation, we investigated the electronic properties of remotely p-type doping GaSb nanowire by a Zn-doped InAs shell. The results show that for bare zinc-blende (ZB) [111] GaSb/InAs core-shell nanowire the Zn p-type doped InAs shell donates free holes to the non-doped GaSb core nanowire without activation energy, significantly increasing the hole density and mobility of nanowire. For Zn doping in bare ZB [110] GaSb/InAs core-shell nanowire the hole states are compensated by surface states. We also studied the behaviors of remote p-type doing in two-dimensional (2D) GaSb/InAs heterogeneous slabs, and confirmed that the orientation of nanowire side facet is a key factor for achieving high efficient remote p-type doping.
Highlights
By performing first-principles calculation, we investigated the electronic properties of remotely p-type doping GaSb nanowire by a Zn-doped InAs shell
The results show that for bare zinc-blende (ZB) [111] GaSb/InAs core-shell nanowire the Zn p-type doped InAs shell donates free holes to the non-doped GaSb core nanowire without activation energy, significantly increasing the hole density and mobility of nanowire
It is found that the charge density of CB1 state mainly localizes in InAs shell and that of VB1 state localizes in GaSb core
Summary
By performing first-principles calculation, we investigated the electronic properties of remotely p-type doping GaSb nanowire by a Zn-doped InAs shell. The results show that for bare zinc-blende (ZB) [111] GaSb/InAs core-shell nanowire the Zn p-type doped InAs shell donates free holes to the non-doped GaSb core nanowire without activation energy, significantly increasing the hole density and mobility of nanowire. For Zn doping in bare ZB [110] GaSb/InAs core-shell nanowire the hole states are compensated by surface states. Realizing remote p-type doing in bare core-shell NWs is considered complicated, since the efficiency of remote p-type doping highly depends on the surface states, side facets, and valence band offset of core-shell NWs21–23. The results show that for bare ZB [111] GaSb/InAs core-shell NW, p-type Zn-doped InAs-shell donates one-dimensional hole gas to the non-doped GaSb core NW without thermal activation energy, increasing hole densities with high mobilities. The GaSb/InAs core-shell NWs that with the lateral surface where are In-As atomic pairs termination and As atoms termination are favor for effective remote p-type doping
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