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Layer-by-layer control of black phosphorene-metal contact; Schottky barrier and carrier polarity
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- Title
- Layer-by-layer control of black phosphorene-metal contact; Schottky barrier and carrier polarity
- DGIST Authors
- Lee, Su Yeong ; Lee, Jae Dong ; Lee, Jong Soo
- Advisor
- Lee, Jae Dong
- Co-Advisor(s)
- Lee, Jong Soo
- Issued Date
- 2016
- Awarded Date
- 2016. 8
- Citation
- Lee, Su Yeong. (2016). Layer-by-layer control of black phosphorene-metal contact; Schottky barrier and carrier polarity. doi: 10.22677/thesis.2296606
- Type
- Thesis
- Subject
- black phosphorus ; Density functional theory ; Schottky barrier ; contact resistance ; 제일원리계산 ; 포스포린 ; 전계 효과 ; 트랜지스터 ; 접촉 저항 ; 전위 장벽
- Abstract
-
Layered black phosphorus (BP) attracts great attention as promising candidates for the nanoelectronics and the field-effect transistor (FET) due to their excellent mechanical, optical, thermoelectric, and electronic properties. For a practical device realization, it is important to control electronic transport properties and contact resistance at the interfaces between semiconducting BP and metal electrode. In this work, based on the state-of-the-art band unfolding technique combined with the first-principles calculation, we identify the band structure of BP layer by layer and tune the Schottky barrier height and control the carrier-type of the BP-metal contact. ⓒ 2016 DGIST
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- Table Of Contents
-
1. INTRODUCTION 1
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2. METHOD 6
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2.1 The basic concepts of Density functional theory 6
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2.2 The Hohenberg-Kohn theorem 6
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2.3 The Kohn-Sham equation 8
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2.4 The exchange correlation energy 10
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2.4.1 The local-density approximation (LDA) 10
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2.4.2 Generalized gradient approximation (GGA) 11
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2.5 reciprocal lattice 12
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2.6 The first Brillouin zone 14
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2.7 Unfolding band technique 15
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3. Calculation details 16
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4. Results and discussion 19
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4.1 BP/Ti (0001) metal contact system: BP-projected bands 19
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4.2 BP/Sc (0001) metal contact system: BP-projected bands 22
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4.3 BP/Al (111) metal contact system: BP-projected bands 24
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5. Summary 27
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6. References 28
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국문요약
- URI
-
http://dgist.dcollection.net/jsp/common/DcLoOrgPer.jsp?sItemId=000002296606
http://hdl.handle.net/20.500.11750/1455
- Degree
- Master
- Department
- Emerging materials Science
- Publisher
- DGIST
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