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Layer-by-layer control of black phosphorene-metal contact; Schottky barrier and carrier polarity

Title
Layer-by-layer control of black phosphorene-metal contact; Schottky barrier and carrier polarity
Author(s)
Lee, Su Yeong
DGIST Authors
Lee, Su YeongLee, Jae DongLee, Jong Soo
Advisor
Lee, Jae Dong
Co-Advisor(s)
Lee, Jong Soo
Issued Date
2016
Awarded Date
2016. 8
Type
Thesis
Subject
black phosphorusDensity functional theorySchottky barriercontact resistance제일원리계산포스포린전계 효과트랜지스터접촉 저항전위 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
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
DOI
10.22677/thesis.2296606
Degree
Master
Department
Emerging materials Science
Publisher
DGIST
Related Researcher
  • 이종수 Lee, Jong-Soo
  • Research Interests Design of new type of multifunctional nanoparticles for energy-related devices; 다기능성 나노재료; 무기물 태양전지; 열전소자
Files in This Item:
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000002296606.pdf

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Appears in Collections:
Department of Physics and Chemistry Theses Master

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