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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
Authors
Lee, Su Yeong
DGIST Authors
Lee, Su Yeong; Lee, Jae Dong; Lee, Jong Soo
Advisor(s)
Lee, Jae Dong
Co-Advisor(s)
Lee, Jong Soo
Issue Date
2016
Available Date
2016-08-18
Degree Date
2016. 8
Type
Thesis
Keywords
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 -- 2. METHOD 6 -- 2.1 The basic concepts of Density functional theory 6 -- 2.2 The Hohenberg-Kohn theorem 6 -- 2.3 The Kohn-Sham equation 8 -- 2.4 The exchange correlation energy 10 -- 2.4.1 The local-density approximation (LDA) 10 -- 2.4.2 Generalized gradient approximation (GGA) 11 -- 2.5 reciprocal lattice 12 -- 2.6 The first Brillouin zone 14 -- 2.7 Unfolding band technique 15 -- 3. Calculation details 16 -- 4. Results and discussion 19 -- 4.1 BP/Ti (0001) metal contact system: BP-projected bands 19 -- 4.2 BP/Sc (0001) metal contact system: BP-projected bands 22 -- 4.3 BP/Al (111) metal contact system: BP-projected bands 24 -- 5. Summary 27 -- 6. References 28 -- 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
University
DGIST
Files:
Collection:
Emerging Materials ScienceThesesMaster


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