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Phononic transport in 1T′-MoTe2: Anisotropic structure with an isotropic lattice thermal conductivity
Cui, Xiangyue1; Yan, Xuefei1,2,3; Wang, Bowen1; Cai, Yongqing1
2022-10-13
Source PublicationApplied Surface Science
ISSN0169-4332
Volume608Pages:155238
Abstract

Molybdenum ditelluride (MoTe) is an unique transition metal dichalcogenide owing to its energetically comparable 1H and 1T′ phases. This implies a high chance of coexistence of 1H/1T′ heterostructures which poses great complexity in the measurement of the intrinsic lattice thermal conductivities (κ). In this work, via first-principles calculations, we examine the lattice-wave propagation and thermal conduction in this highly structurally anisotropic 1T′ MoTe. Our calculation shows that the 1T′ phase has a sound velocity of 2.13 km/s (longitudinal acoustic wave), much lower than that of the 1H phase (4.05 km/s), indicating a staggered transmission of lattice waves across the boundary from 1H to 1T′ phase. Interestingly, the highly anisotropic 1T′ MoTe shows nearly isotropic and limited κ of 13.02 W/mK, owing to a large Grüneisen parameter of acoustic flexural mode, heavy masses of Mo and Te elements and a low phonon group velocity. Accumulative κ as a function of mean free path (MFP) indicates phonons with MFP less than ∼ 300 nm contribute 80 % of κ and an inflection point at ∼ 600 nm. Our results will be critical for understanding of the size dependent κ of nanostructured 1T′ MoTe.

KeywordLattice Dynamics Monolayer Mote2 Strain Thermal Transport
DOI10.1016/j.apsusc.2022.155238
URLView the original
Indexed BySCIE
Language英語English
WOS Research AreaChemistry ; Materials Science ; Physics
WOS SubjectChemistry, Physical ; Materials Science, Coatings & Films ; Physics, Applied ; Physics, Condensed Matter
WOS IDWOS:000875411600002
PublisherELSEVIER, RADARWEG 29, 1043 NX AMSTERDAM, NETHERLANDS
Scopus ID2-s2.0-85139841379
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Document TypeJournal article
CollectionINSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING
Corresponding AuthorCai, Yongqing
Affiliation1.Joint Key Laboratory of the Ministry of Education, Institute of Applied Physics and Materials Engineering, University of Macau, Taipa, Macao
2.School of Microelectronics Science and Technology, Sun Yat-Sen University, Zhuhai, 519082, China
3.Guangdong Provincial Key Laboratory of Optoelectronic Information Processing Chips and Systems, Sun Yat-Sen University, Zhuhai, 519082, China
First Author AffilicationINSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING
Corresponding Author AffilicationINSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING
Recommended Citation
GB/T 7714
Cui, Xiangyue,Yan, Xuefei,Wang, Bowen,et al. Phononic transport in 1T′-MoTe2: Anisotropic structure with an isotropic lattice thermal conductivity[J]. Applied Surface Science, 2022, 608, 155238.
APA Cui, Xiangyue., Yan, Xuefei., Wang, Bowen., & Cai, Yongqing (2022). Phononic transport in 1T′-MoTe2: Anisotropic structure with an isotropic lattice thermal conductivity. Applied Surface Science, 608, 155238.
MLA Cui, Xiangyue,et al."Phononic transport in 1T′-MoTe2: Anisotropic structure with an isotropic lattice thermal conductivity".Applied Surface Science 608(2022):155238.
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