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Main Authors: Eckmann, Elias, Şaşıoğlu, Ersoy, Hinsche, Nicki F., Mertig, Ingrid
Format: Preprint
Published: 2025
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Online Access:https://arxiv.org/abs/2509.17947
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author Eckmann, Elias
Şaşıoğlu, Ersoy
Hinsche, Nicki F.
Mertig, Ingrid
author_facet Eckmann, Elias
Şaşıoğlu, Ersoy
Hinsche, Nicki F.
Mertig, Ingrid
contents Lateral two-dimensional (2D) tunnel diodes that reproduce metal-insulator-metal (MIM)-diode-like rectification without using dissimilar contacts are attractive for scalable nanoelectronics. MoS$_2$ can exist in both the semiconducting 1H phase and the metallic 1T phase, enabling phase-engineered homojunctions within a single material. First-principles electronic structure and quantum transport calculations show that phase-engineered 1T/1H/1T--MoS$_2$ homojunctions exhibit pronounced MIM-diode-like rectification originating from interfacial charge transfer at asymmetric 1T/1H interfaces. The charge transfer establishes interface dipole steps that impose a built-in potential drop across the 1H barrier, thereby generating a trapezoidal tunnel barrier at zero bias. In contrast, symmetric 1T/1H interfaces do not form interface dipoles and show no rectification. To clarify the microscopic origin, a lateral graphene/hexagonal-boron-nitride/graphene junction is analyzed as a minimal MIM diode analogue with a simple interface and well-defined barrier, confirming that interface-induced dipoles, rather than work-function difference, enable the effect. The mechanism operates entirely within a single monolayer material system and does not rely on out-of-plane stacking, highlighting compatibility with phase patterning in 2D semiconductors. These results establish lateral 1T/1H/1T--MoS$_2$ as a fully 2D, single-material platform for MIM-diode-like rectification and position interface-dipole engineering as a general strategy for ultrathin in-plane diodes, high-frequency detectors, and energy-harvesting tunnel devices.
format Preprint
id arxiv_https___arxiv_org_abs_2509_17947
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle MIM-Diode-Like Rectification in Lateral 1T/1H/1T-MoS$_2$ Homojunctions via Interfacial Dipole Engineering
Eckmann, Elias
Şaşıoğlu, Ersoy
Hinsche, Nicki F.
Mertig, Ingrid
Materials Science
Lateral two-dimensional (2D) tunnel diodes that reproduce metal-insulator-metal (MIM)-diode-like rectification without using dissimilar contacts are attractive for scalable nanoelectronics. MoS$_2$ can exist in both the semiconducting 1H phase and the metallic 1T phase, enabling phase-engineered homojunctions within a single material. First-principles electronic structure and quantum transport calculations show that phase-engineered 1T/1H/1T--MoS$_2$ homojunctions exhibit pronounced MIM-diode-like rectification originating from interfacial charge transfer at asymmetric 1T/1H interfaces. The charge transfer establishes interface dipole steps that impose a built-in potential drop across the 1H barrier, thereby generating a trapezoidal tunnel barrier at zero bias. In contrast, symmetric 1T/1H interfaces do not form interface dipoles and show no rectification. To clarify the microscopic origin, a lateral graphene/hexagonal-boron-nitride/graphene junction is analyzed as a minimal MIM diode analogue with a simple interface and well-defined barrier, confirming that interface-induced dipoles, rather than work-function difference, enable the effect. The mechanism operates entirely within a single monolayer material system and does not rely on out-of-plane stacking, highlighting compatibility with phase patterning in 2D semiconductors. These results establish lateral 1T/1H/1T--MoS$_2$ as a fully 2D, single-material platform for MIM-diode-like rectification and position interface-dipole engineering as a general strategy for ultrathin in-plane diodes, high-frequency detectors, and energy-harvesting tunnel devices.
title MIM-Diode-Like Rectification in Lateral 1T/1H/1T-MoS$_2$ Homojunctions via Interfacial Dipole Engineering
topic Materials Science
url https://arxiv.org/abs/2509.17947