Computational Study of MoS2/HfO2 Defective
Interfaces for Nanometer-Scale Electronics
Posted on 2017-06-19 - 18:34
Atomic structures
and electronic properties of MoS2/HfO2 defective
interfaces are investigated extensively for future
field-effect transistor device applications. To mimic the atomic layer
deposition growth under ambient conditions, the impact of interfacial
oxygen concentration on the MoS2/HfO2 interface
electronic structure is examined. Then, the effect on band offsets
(BOs) and the thermodynamic stability of those interfaces is investigated
and compared with available relevant experimental data. Our results
show that the BOs can be modified up to 2 eV by tuning the oxygen
content through, for example, the relative partial pressure. Interfaces
with hydrogen impurities as well as various structural disorders were
also considered, leading to different behaviors, such as n-type doping,
or introducing defect states close to the Fermi level because of the
formation of hydroxyl groups. Then, our results indicate that for
a well-prepared interface the electronic device performance should
be better than that of other interfaces, such as III–V/high-κ,
because of the absence of interface defect states. However, any unpassivated
defects, if present during oxide growth, strongly affect the subsequent
electronic properties of the interface. The unique electronic properties
of monolayer-to-few-layered transition-metal dichalcogenides and dielectric
interfaces are described in detail for the first time, showing the
promising interfacial characteristics for future transistor technology.
CITE THIS COLLECTION
DataCite
3 Biotech
3D Printing in Medicine
3D Research
3D-Printed Materials and Systems
4OR
AAPG Bulletin
AAPS Open
AAPS PharmSciTech
Abhandlungen aus dem Mathematischen Seminar der Universität Hamburg
ABI Technik (German)
Academic Medicine
Academic Pediatrics
Academic Psychiatry
Academic Questions
Academy of Management Discoveries
Academy of Management Journal
Academy of Management Learning and Education
Academy of Management Perspectives
Academy of Management Proceedings
Academy of Management Review
KC, Santosh; Longo, Roberto C.; Wallace, Robert M.; Cho, Kyeongjae (2017). Computational Study of MoS2/HfO2 Defective
Interfaces for Nanometer-Scale Electronics. ACS Publications. Collection. https://doi.org/10.1021/acsomega.7b00636
or
Select your citation style and then place your mouse over the citation text to select it.
SHARE
Usage metrics
Read the peer-reviewed publication
AUTHORS (4)
SK
Santosh KC
RL
Roberto C. Longo
RW
Robert M. Wallace
KC
Kyeongjae Cho
KEYWORDS
oxygen concentrationMoSNanometer-Scale Electronics Atomic structuresresults showfuture field-effect transistor device applicationsBOambient conditionsdevice performancelayer deposition growthFermi level2 eVhydroxyl groupshydrogen impuritiesdielectric interfacesunpassivated defectsComputational Studyinterface defect statesoxygen contentmonolayer-to-few-layered transition-metal dichalcogenidesoxide growthfuture transistor technologydefect statesn-type dopingIIIHfO