Engineering Nonvolatile Polarization in 2D α-In<sub>2</sub>Se<sub>3</sub>/α-Ga<sub>2</sub>Se<sub>3</sub> Ferroelectric Junctions
The advent of two-dimensional (2D) ferroelectrics offers a new paradigm for device miniaturization and multifunctionality. Recently, 2D α-In<sub>2</sub>Se<sub>3</sub> and related III–VI compound ferroelectrics manifest room-temperature ferroelectricity and exhibit reversible...
Saved in:
| Main Authors: | , , , , , , , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2025-01-01
|
| Series: | Nanomaterials |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2079-4991/15/3/163 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1850199857644437504 |
|---|---|
| author | Peipei Li Delin Kong Jin Yang Shuyu Cui Qi Chen Yue Liu Ziheng He Feng Liu Yingying Xu Huiyun Wei Xinhe Zheng Mingzeng Peng |
| author_facet | Peipei Li Delin Kong Jin Yang Shuyu Cui Qi Chen Yue Liu Ziheng He Feng Liu Yingying Xu Huiyun Wei Xinhe Zheng Mingzeng Peng |
| author_sort | Peipei Li |
| collection | DOAJ |
| description | The advent of two-dimensional (2D) ferroelectrics offers a new paradigm for device miniaturization and multifunctionality. Recently, 2D α-In<sub>2</sub>Se<sub>3</sub> and related III–VI compound ferroelectrics manifest room-temperature ferroelectricity and exhibit reversible spontaneous polarization even at the monolayer limit. Here, we employ first-principles calculations to investigate group-III selenide van der Waals (vdW) heterojunctions built up by 2D α-In<sub>2</sub>Se<sub>3</sub> and α-Ga<sub>2</sub>Se<sub>3</sub> ferroelectric (FE) semiconductors, including structural stability, electrostatic potential, interfacial charge transfer, and electronic band structures. When the FE polarization directions of α-In<sub>2</sub>Se<sub>3</sub> and α-Ga<sub>2</sub>Se<sub>3</sub> are parallel, both the α-In<sub>2</sub>Se<sub>3</sub>/α-Ga<sub>2</sub>Se<sub>3</sub> P↑↑ (UU) and α-In<sub>2</sub>Se<sub>3</sub>/α-Ga<sub>2</sub>Se<sub>3</sub> P↓↓ (NN) configurations possess strong built-in electric fields and hence induce electron–hole separation, resulting in carrier depletion at the α-In<sub>2</sub>Se<sub>3</sub>/α-Ga<sub>2</sub>Se<sub>3</sub> heterointerfaces. Conversely, when they are antiparallel, the α-In<sub>2</sub>Se<sub>3</sub>/α-Ga<sub>2</sub>Se<sub>3</sub> P↓↑ (NU) and α-In<sub>2</sub>Se<sub>3</sub>/α-Ga<sub>2</sub>Se<sub>3</sub> P↑↓ (UN) configurations demonstrate the switchable electron and hole accumulation at the 2D ferroelectric interfaces, respectively. The nonvolatile characteristic of ferroelectric polarization presents an innovative approach to achieving tunable n-type and p-type conductive channels for ferroelectric field-effect transistors (FeFETs). In addition, in-plane biaxial strain modulation has successfully modulated the band alignments of the α-In<sub>2</sub>Se<sub>3</sub>/α-Ga<sub>2</sub>Se<sub>3</sub> ferroelectric heterostructures, inducing a type III–II–III transition in UU and NN, and a type I–II–I transition in UN and NU, respectively. Our findings highlight the great potential of 2D group-III selenides and ferroelectric vdW heterostructures to harness nonvolatile spontaneous polarization for next-generation electronics, nonvolatile optoelectronic memories, sensors, and neuromorphic computing. |
| format | Article |
| id | doaj-art-e5e7e3ea48714f13ab2d29ee5e269757 |
| institution | OA Journals |
| issn | 2079-4991 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Nanomaterials |
| spelling | doaj-art-e5e7e3ea48714f13ab2d29ee5e2697572025-08-20T02:12:31ZengMDPI AGNanomaterials2079-49912025-01-0115316310.3390/nano15030163Engineering Nonvolatile Polarization in 2D α-In<sub>2</sub>Se<sub>3</sub>/α-Ga<sub>2</sub>Se<sub>3</sub> Ferroelectric JunctionsPeipei Li0Delin Kong1Jin Yang2Shuyu Cui3Qi Chen4Yue Liu5Ziheng He6Feng Liu7Yingying Xu8Huiyun Wei9Xinhe Zheng10Mingzeng Peng11Beijing Key Laboratory for Magneto-Photoelectrical Composite and Interface Science, School of Mathematics and Physics, University of Science and Technology Beijing, No. 30, Xueyuan Road, Beijing 100083, ChinaBeijing Key Laboratory for Magneto-Photoelectrical Composite and Interface Science, School of Mathematics and Physics, University of Science and Technology Beijing, No. 30, Xueyuan Road, Beijing 100083, ChinaBeijing Key Laboratory for Magneto-Photoelectrical Composite and Interface Science, School of Mathematics and Physics, University of Science and Technology Beijing, No. 30, Xueyuan Road, Beijing 100083, ChinaBeijing Key Laboratory for Magneto-Photoelectrical Composite and Interface Science, School of Mathematics and Physics, University of Science and Technology Beijing, No. 30, Xueyuan Road, Beijing 100083, ChinaBeijing Key Laboratory for Magneto-Photoelectrical Composite and Interface Science, School of Mathematics and Physics, University of Science and Technology Beijing, No. 30, Xueyuan Road, Beijing 100083, ChinaBeijing Key Laboratory for Magneto-Photoelectrical Composite and Interface Science, School of Mathematics and Physics, University of Science and Technology Beijing, No. 30, Xueyuan Road, Beijing 100083, ChinaBeijing Key Laboratory for Magneto-Photoelectrical Composite and Interface Science, School of Mathematics and Physics, University of Science and Technology Beijing, No. 30, Xueyuan Road, Beijing 100083, ChinaBeijing Key Laboratory for Magneto-Photoelectrical Composite and Interface Science, School of Mathematics and Physics, University of Science and Technology Beijing, No. 30, Xueyuan Road, Beijing 100083, ChinaBeijing Key Laboratory for Magneto-Photoelectrical Composite and Interface Science, School of Mathematics and Physics, University of Science and Technology Beijing, No. 30, Xueyuan Road, Beijing 100083, ChinaBeijing Key Laboratory for Magneto-Photoelectrical Composite and Interface Science, School of Mathematics and Physics, University of Science and Technology Beijing, No. 30, Xueyuan Road, Beijing 100083, ChinaBeijing Key Laboratory for Magneto-Photoelectrical Composite and Interface Science, School of Mathematics and Physics, University of Science and Technology Beijing, No. 30, Xueyuan Road, Beijing 100083, ChinaBeijing Key Laboratory for Magneto-Photoelectrical Composite and Interface Science, School of Mathematics and Physics, University of Science and Technology Beijing, No. 30, Xueyuan Road, Beijing 100083, ChinaThe advent of two-dimensional (2D) ferroelectrics offers a new paradigm for device miniaturization and multifunctionality. Recently, 2D α-In<sub>2</sub>Se<sub>3</sub> and related III–VI compound ferroelectrics manifest room-temperature ferroelectricity and exhibit reversible spontaneous polarization even at the monolayer limit. Here, we employ first-principles calculations to investigate group-III selenide van der Waals (vdW) heterojunctions built up by 2D α-In<sub>2</sub>Se<sub>3</sub> and α-Ga<sub>2</sub>Se<sub>3</sub> ferroelectric (FE) semiconductors, including structural stability, electrostatic potential, interfacial charge transfer, and electronic band structures. When the FE polarization directions of α-In<sub>2</sub>Se<sub>3</sub> and α-Ga<sub>2</sub>Se<sub>3</sub> are parallel, both the α-In<sub>2</sub>Se<sub>3</sub>/α-Ga<sub>2</sub>Se<sub>3</sub> P↑↑ (UU) and α-In<sub>2</sub>Se<sub>3</sub>/α-Ga<sub>2</sub>Se<sub>3</sub> P↓↓ (NN) configurations possess strong built-in electric fields and hence induce electron–hole separation, resulting in carrier depletion at the α-In<sub>2</sub>Se<sub>3</sub>/α-Ga<sub>2</sub>Se<sub>3</sub> heterointerfaces. Conversely, when they are antiparallel, the α-In<sub>2</sub>Se<sub>3</sub>/α-Ga<sub>2</sub>Se<sub>3</sub> P↓↑ (NU) and α-In<sub>2</sub>Se<sub>3</sub>/α-Ga<sub>2</sub>Se<sub>3</sub> P↑↓ (UN) configurations demonstrate the switchable electron and hole accumulation at the 2D ferroelectric interfaces, respectively. The nonvolatile characteristic of ferroelectric polarization presents an innovative approach to achieving tunable n-type and p-type conductive channels for ferroelectric field-effect transistors (FeFETs). In addition, in-plane biaxial strain modulation has successfully modulated the band alignments of the α-In<sub>2</sub>Se<sub>3</sub>/α-Ga<sub>2</sub>Se<sub>3</sub> ferroelectric heterostructures, inducing a type III–II–III transition in UU and NN, and a type I–II–I transition in UN and NU, respectively. Our findings highlight the great potential of 2D group-III selenides and ferroelectric vdW heterostructures to harness nonvolatile spontaneous polarization for next-generation electronics, nonvolatile optoelectronic memories, sensors, and neuromorphic computing.https://www.mdpi.com/2079-4991/15/3/163group-III selenides2D ferroelectricspolarization engineeringband alignmentsstrain modulation |
| spellingShingle | Peipei Li Delin Kong Jin Yang Shuyu Cui Qi Chen Yue Liu Ziheng He Feng Liu Yingying Xu Huiyun Wei Xinhe Zheng Mingzeng Peng Engineering Nonvolatile Polarization in 2D α-In<sub>2</sub>Se<sub>3</sub>/α-Ga<sub>2</sub>Se<sub>3</sub> Ferroelectric Junctions Nanomaterials group-III selenides 2D ferroelectrics polarization engineering band alignments strain modulation |
| title | Engineering Nonvolatile Polarization in 2D α-In<sub>2</sub>Se<sub>3</sub>/α-Ga<sub>2</sub>Se<sub>3</sub> Ferroelectric Junctions |
| title_full | Engineering Nonvolatile Polarization in 2D α-In<sub>2</sub>Se<sub>3</sub>/α-Ga<sub>2</sub>Se<sub>3</sub> Ferroelectric Junctions |
| title_fullStr | Engineering Nonvolatile Polarization in 2D α-In<sub>2</sub>Se<sub>3</sub>/α-Ga<sub>2</sub>Se<sub>3</sub> Ferroelectric Junctions |
| title_full_unstemmed | Engineering Nonvolatile Polarization in 2D α-In<sub>2</sub>Se<sub>3</sub>/α-Ga<sub>2</sub>Se<sub>3</sub> Ferroelectric Junctions |
| title_short | Engineering Nonvolatile Polarization in 2D α-In<sub>2</sub>Se<sub>3</sub>/α-Ga<sub>2</sub>Se<sub>3</sub> Ferroelectric Junctions |
| title_sort | engineering nonvolatile polarization in 2d α in sub 2 sub se sub 3 sub α ga sub 2 sub se sub 3 sub ferroelectric junctions |
| topic | group-III selenides 2D ferroelectrics polarization engineering band alignments strain modulation |
| url | https://www.mdpi.com/2079-4991/15/3/163 |
| work_keys_str_mv | AT peipeili engineeringnonvolatilepolarizationin2dainsub2subsesub3subagasub2subsesub3subferroelectricjunctions AT delinkong engineeringnonvolatilepolarizationin2dainsub2subsesub3subagasub2subsesub3subferroelectricjunctions AT jinyang engineeringnonvolatilepolarizationin2dainsub2subsesub3subagasub2subsesub3subferroelectricjunctions AT shuyucui engineeringnonvolatilepolarizationin2dainsub2subsesub3subagasub2subsesub3subferroelectricjunctions AT qichen engineeringnonvolatilepolarizationin2dainsub2subsesub3subagasub2subsesub3subferroelectricjunctions AT yueliu engineeringnonvolatilepolarizationin2dainsub2subsesub3subagasub2subsesub3subferroelectricjunctions AT zihenghe engineeringnonvolatilepolarizationin2dainsub2subsesub3subagasub2subsesub3subferroelectricjunctions AT fengliu engineeringnonvolatilepolarizationin2dainsub2subsesub3subagasub2subsesub3subferroelectricjunctions AT yingyingxu engineeringnonvolatilepolarizationin2dainsub2subsesub3subagasub2subsesub3subferroelectricjunctions AT huiyunwei engineeringnonvolatilepolarizationin2dainsub2subsesub3subagasub2subsesub3subferroelectricjunctions AT xinhezheng engineeringnonvolatilepolarizationin2dainsub2subsesub3subagasub2subsesub3subferroelectricjunctions AT mingzengpeng engineeringnonvolatilepolarizationin2dainsub2subsesub3subagasub2subsesub3subferroelectricjunctions |