Electric Polarization and Charge Transfer Driven Antiferromagnetic Half-Metallicity in 2D VS2 /MoSSe Heterostructures

Presentation

Herath, Dimuthu. 2023. "Electric Polarization and Charge Transfer Driven Antiferromagnetic Half-Metallicity in 2D VS2 /MoSSe Heterostructures." Centre for Theoretical and Computational Molecular Science Symposium 2023. Australia 13 - 14 Mar 2023 Australia.

Paper/Presentation Title	Electric Polarization and Charge Transfer Driven Antiferromagnetic Half-Metallicity in 2D VS2 /MoSSe Heterostructures
Presentation Type	Presentation
Authors	Herath, Dimuthu
Number of Pages	1
Year	2023
Place of Publication	Australia
Web Address (URL) of Conference Proceedings	https://sites.google.com/view/ctcms-symposium-2023/home
Conference/Event	Centre for Theoretical and Computational Molecular Science Symposium 2023
Event Details	Centre for Theoretical and Computational Molecular Science Symposium 2023 Delivery In person Event Date 13 to end of 14 Mar 2023 Event Location Australia Event Venue University of Queensland
Abstract	The efficiency of spintronic devices can be improved by using 2D materials that exhibit half-metallicity with 100% spin polarization at the Fermi level. Our research has discovered that Janus MoSSe monolayers can induce half-metallicity in VS2 bilayers, which maintain an antiferromagnetic configuration in their ground state. We have determined that the Janus MoSSe layer’s out-of-plane electrical polarization generates an induced electric field that causes half-metallicity in the bilayer VS2. These novel findings can be adopted to induce half metallic characteristics to many magnetic materials used in spintronic devices, and in the foreseeable future.
Contains Sensitive Content	Does not contain sensitive content
ANZSRC Field of Research 2020	401807. Nanomaterials
Public Notes	Files associated with this item cannot be displayed due to copyright restrictions.
Byline Affiliations	Queensland University of Technology

Permalink -

https://research.usq.edu.au/item/z7690/electric-polarization-and-charge-transfer-driven-antiferromagnetic-half-metallicity-in-2d-vs2-mosse-heterostructures

77
total views
2
total downloads
3
views this month
0
downloads this month

Export as

Related outputs

Comprehensive review of bacterial death mechanism on nanopillared nanostructured surfaces

Wijethunge, Dimuthu, Mathew, Asha and Yarlagadda, Prasad K. D. V.. 2025. "Comprehensive review of bacterial death mechanism on nanopillared nanostructured surfaces." Biophysical Reviews. https://doi.org/10.1007/s12551-025-01319-5

Theoretical insights of nitrate reduction to ammonia on partially reduced In2O3 surfaces

Fang, Qingchao, Nasir, Md Tarikal, Wijethunge, Dimuthu, Han, Yun, Kang, Xuxin, Yan, Cheng, O’ Mullane, Anthony P., Yin, Hanqing and Du, Aijun. 2025. "Theoretical insights of nitrate reduction to ammonia on partially reduced In2O3 surfaces." Molecular Catalysis. 577. https://doi.org/10.1016/j.mcat.2025.114991

Electrocatalytic Reduction of Nitric Oxide to Ammonia on Defective ZnIn2S4

Nasir, Md Tarikal, Fang, Qingchao, Wijethunge, Dimuthu, Zhou, Xiuwen and Du, Aijun. 2025. "Electrocatalytic Reduction of Nitric Oxide to Ammonia on Defective ZnIn2S4." Advanced Energy and Sustainability Research. https://doi.org/10.1002/aesr.202500152

Theoretical Study of InxRuy Alloys for Efficient Electrocatalytic Reduction of Nitrate to Ammonia

Fang, Qingchao, Nasir, Md Tarikal, Wijethunge, Dimuthu, Kang, Xuxin, Han, Yun, Yan, Cheng, O'Mullane, Anthony P., Yin, Hanqing and Du, Aijun. 2024. "Theoretical Study of InxRuy Alloys for Efficient Electrocatalytic Reduction of Nitrate to Ammonia." The Journal of Physical Chemistry C. 129 (1), pp. 214-321. https://doi.org/10.1021/acs.jpcc.4c06598

Engineering Interfacial Molecular Interactions on Ag Hollow Fibre Gas Diffusion Electrodes for High Efficiency in CO2 Conversion to CO

Kuang, Yizhu, Chen, Guoliang, Herath Mudiyanselage, Dimuthu, Rabiee, Hesamoddin, Ma, Beibei, Dorosti, Fatereh, Nanjundan, Ashok Kumar, Zhu, Zhonghua, Wang, Hao and Ge, Lei. 2024. "Engineering Interfacial Molecular Interactions on Ag Hollow Fibre Gas Diffusion Electrodes for High Efficiency in CO2 Conversion to CO." Chemistry: A European Journal. 30 (72). https://doi.org/10.1002/chem.202403251

First-Principles Study of the Enhanced Magnetic Anisotropy and Transition Temperature in a CrSe2 Monolayer via Hydrogenation

Munirah, Munirah, Tang, Cheng, Wijethunge, Dimuthu, Qi, Dongchen and Du, Aijun. 2022. "First-Principles Study of the Enhanced Magnetic Anisotropy and Transition Temperature in a CrSe2 Monolayer via Hydrogenation." ACS Applied Electronic Materials. 4 (7), pp. 3240-3245. https://doi.org/10.1021/acsaelm.2c00476

Controllable Polarization and Doping in Ferroelectric In2Se3 Monolayers and Heterobilayers via Intrinsic Defect Engineering

Tang, Cheng, Zhang, Lei, Wijethunge, Dimuthu, Ostrikov, Kostya Ken and Du, Aijun. 2021. "Controllable Polarization and Doping in Ferroelectric In2Se3 Monolayers and Heterobilayers via Intrinsic Defect Engineering." The Journal of Physical Chemistry C. 125 (44), pp. 24648-24654. https://doi.org/10.1021/acs.jpcc.1c07141

Interfacing 2D VS2 with Janus MoSSe: Antiferromagnetic electric polarization and charge transfer driven Half-metallicity

Wijethunge, Dimuthu, Zhang, Lei, Tang, Cheng, Sanvito, Stefano and Du, Aijun. 2021. "Interfacing 2D VS2 with Janus MoSSe: Antiferromagnetic electric polarization and charge transfer driven Half-metallicity." Applied Surface Science. 570. https://doi.org/10.1016/j.apsusc.2021.151129

Prediction of two-dimensional ferroelectric metal Mxenes

Wijethunge, Dimuthu, Zhang, Lei and Du, Aijun. 2021. "Prediction of two-dimensional ferroelectric metal Mxenes." Journal of Materials Chemistry C. 9 (34), pp. 11343-11348. https://doi.org/10.1039/D1TC02213J

Metal-free graphene/boron nitride heterointerface for CO2 reduction: Surface curvature controls catalytic activity and selectivity

Mao, Xin, Wijethunge, Dimuthu, Zhang, Lei, Wang, Sufan, Yan, Cheng, Zhu, Zhonghua and Du, Aijun. 2020. "Metal-free graphene/boron nitride heterointerface for CO2 reduction: Surface curvature controls catalytic activity and selectivity." Ecomat. 2 (1). https://doi.org/10.1002/eom2.12013

Computational screening of MN 4 (M= Ti–Cu) based metal organic frameworks for CO 2 reduction using the d-band centre as a descriptor

Mao, Mao, Tang, Cheng, He, Tianwei, Wijethunge, Dimuthu, Yan, Cheng, Zhu, Zhonghua and Du, Aijun. 2020. "Computational screening of MN 4 (M= Ti–Cu) based metal organic frameworks for CO 2 reduction using the d-band centre as a descriptor." Nanoscale. 12 (10), pp. 6188-6194. https://doi.org/10.1039/C9NR09529B

Bandstructure engineering in 2D materials using Ferroelectric materials

Wijethunge, Dimuthu, Tang, Cheng, Zhang, Chunmei, Zhang, Lei, Mao, Xin and Du, Aijun. 2020. "Bandstructure engineering in 2D materials using Ferroelectric materials." Applied Surface Science. 513. https://doi.org/10.1016/j.apsusc.2020.145817

Tuning band alignment and optical properties of 2D van der Waals heterostructure via ferroelectric polarization switching

Wijethunge, Dimuthu, Zhang, Lei, Tang, Cheng and Du, Aijun. 2020. "Tuning band alignment and optical properties of 2D van der Waals heterostructure via ferroelectric polarization switching." Frontiers of Physics. 15. https://doi.org/10.1007/s11467-020-0987-z

High efficient nanostructured PbSe0. 5Te0. 5 exhibiting broad figure-of-merit plateau

Nandihalli, Nandihalli, Wijethunge, Dimuthu, Kim, Kyomin, Kim, Jiyong and Gayner, Chhatrasal. 2019. "High efficient nanostructured PbSe0. 5Te0. 5 exhibiting broad figure-of-merit plateau." Journal of Alloys and Compounds. 785, pp. 862-870. https://doi.org/10.1016/j.jallcom.2019.01.105

Thermoelectric properties of Ni0. 05Mo3Sb5. 4Te1. 6 composites with NiSb nanocoating

Nandihalli, Nandihalli, Robert, Liang, Wijethunge, Dimuthu, Zhou, Norman and Kleinke, Holger. 2018. "Thermoelectric properties of Ni0. 05Mo3Sb5. 4Te1. 6 composites with NiSb nanocoating." AIP Advances. 8. https://doi.org/10.1063/1.5038675

New evaluation parameter for wearable thermoelectric generators

Wijethunge, Dimuthu and Kim, Woochul. 2018. "New evaluation parameter for wearable thermoelectric generators ." Journal of Applied Physics. 123 (14). https://doi.org/10.1063/1.5018762

Simplified human thermoregulatory model for designing wearable thermoelectric devices

Wijethunge, Dimuthu, Kim, Donggyu and Kim, Woochul. 2018. "Simplified human thermoregulatory model for designing wearable thermoelectric devices." Journal of Physics D: Applied Physics. 51. https://doi.org/10.1088/1361-6463/aaa17e

More than half reduction in price per watt of thermoelectric device without increasing the thermoelectric figure of merit of materials

Hwang, Junphil, Kim, Hoon, Wijethunge, Dimuthu, Nandihalli, Nagaraj, Eom, Yoomin, Park, Hwanjoo, Kim, Jungwon and Kim, Woochul. 2017. "More than half reduction in price per watt of thermoelectric device without increasing the thermoelectric figure of merit of materials." Applied Energy. 205, pp. 1459-1466. https://doi.org/10.1016/j.apenergy.2017.09.080

Mat-like flexible thermoelectric system based on rigid inorganic bulk materials

Park, Hwanjoo, Kim, Donggyu, Eom, Yoomin, Wijethunge, Dimuthu, Hwang, Junphil, Kim, Hoon and Kim, Woochul. 2017. "Mat-like flexible thermoelectric system based on rigid inorganic bulk materials." Journal of Physics D: Applied Physics. 50. https://doi.org/10.1088/1361-6463/aa94f7

Flexible thermoelectric power generation system based on rigid inorganic bulk materials

Eom, Yoomin, Wijethunge, Dimuthu, Park, Hwanjoo, Park, Sang Hyun and Kim, Woochul. 2017. "Flexible thermoelectric power generation system based on rigid inorganic bulk materials." Applied Energy. 206, pp. 649-656. https://doi.org/10.1016/j.apenergy.2017.08.231