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Related papers: Temperature-dependent Raman spectra of 2H-MoS2 fro…

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We have carried out temperature-dependent x-ray diffraction and Raman scattering experiments on powder $Cs_3Bi_2Br_9$. Trigonal to monoclinic structural transition at around 95 K is discussed and shown to be driven by the softening of the…

In recent years, Raman spectroscopy of two-dimensional (2D) materials has been conducted. However, only a small portion of those studies note the full width half maximum (FWHM) of these 2D materials. FWHM is an indicator of phonon…

Optics · Physics 2024-07-31 Elham Easy , Jeric Hernandez , Tseng-Ming Chou , Xian Zhang

Molybdenum disulfide (MoS2) is a highly attractive 2D material due to its interesting electronic properties. Recent experimental advances confirm the possibility of further tuning the electronic properties of MoS2 through the fabrication of…

Materials Science · Physics 2017-04-17 B Mortazavi , A Ostadhossein , T Rabczuk , ACT van Duin

Atomic undercoordination, charge injection, mechanical and thermal activation mediate the properties of a material intrinsically by bond relaxation from one equilibrium to another while the phonon spectrometrics probes the ever-unexpected…

Materials Science · Physics 2020-01-08 Chang Q Sun

Raman spectroscopy is a powerful and nondestructive method that is widely used to study the vibrational properties of solids or molecules. Simulations of finite-temperature Raman spectra rely on obtaining polarizabilities along molecular…

Mesoscale and Nanoscale Physics · Physics 2023-10-23 Ethan Berger , Hannu-Pekka Komsa

The Raman active G mode in graphene exhibits strong coupling to electrons, yet the comprehensive treatment of this interaction in the calculation of its temperature-dependent Raman spectrum remains incomplete. In this study, we calculate…

The structural polymorphism in transition metal dichalcogenides (TMDs) provides exciting opportunities for developing advanced electronics. For example, MoTe$_2$ crystallizes in the 2H semiconducting phase at ambient temperature and…

Raman spectroscopy is frequently used to identify composition, structure and layer thickness of 2D materials. Here, we describe an efficient first-principles workflow for calculating resonant first-order Raman spectra of solids within…

Materials Science · Physics 2020-07-15 A. Taghizadeh , U. Leffers , T. G. Pedersen , K. S. Thygesen

Monolayer molybdenum disulphide (MoS$_2$) is a promising two-dimensional (2D) material for nanoelectronic and optoelectronic applications. The large-area growth of MoS$_2$ has been demonstrated using chemical vapor deposition (CVD) in a…

Thermal transport property of homogeneous twisted molybdenum disulfide (MoS$_2$) is investigated using non-equilibrium molecular dynamics simulations with the state-of-art force fields. The simulation results demonstrate that the…

Computational Physics · Physics 2023-10-16 Wenwu Jiang , Ting Liang , Jianbin Xu , Wengen Ouyang

Single layer molybdenum disulfide (SLMoS2), a semiconductor possesses intrinsic bandgap and high electron mobility, has attracted great attention due to its unique electronic, optical, mechanical and thermal properties. Although thermal…

Mesoscale and Nanoscale Physics · Physics 2019-06-14 Han Meng , Dengke Ma , Xiaoxiang Yu , Lifa Zhang , Zhijia Sun , Nuo Yang

Thickness is one of the fundamental parameters that define the electronic, optical, and thermal properties of two-dimensional (2D) crystals. Phonons in molybdenum disulfide (MoS2) were recently found to exhibit unique thickness dependence…

We have carried out temperature and pressure-dependent Raman and x-ray measurements on single crystals of Tb$_2$Ti$_2$O$_7$. We attribute the observed anomalous temperature dependence of phonons to phonon-phonon anharmonic interactions. The…

Water is an ubiquitous liquid that has several exotic and anomalous properties. Despite its apparent simple chemical formula, its capability of forming a dynamic network of hydrogen bonds leads to a rich variety of physics. Here we study…

Soft Condensed Matter · Physics 2023-08-15 R. Vuilleumier , A. P. Seitsonen

The possibility of spatially resolving the optical properties of atomically thin materials is especially appealing as they can be modulated at the micro- and nanoscale by reducing their thickness, changing the doping level or applying a…

Mesoscale and Nanoscale Physics · Physics 2016-03-23 Andres Castellanos-Gomez , Jorge Quereda , Herko P. van der Meulen , Nicolás Agraït , Gabino Rubio-Bollinger

We review the Raman shift method as a non-destructive optical tool to investigate the thermal conductivity and demonstrate the possibility to map this quantity with a micrometer resolution by studying thin film and bulk materials for…

Materials Science · Physics 2015-06-22 B. Stoib , S. Filser , J. Stötzel , A. Greppmair , N. Petermann , H. Wiggers , G. Schierning , M. Stutzmann , M. S. Brandt

We demonstrate the determination of anharmonic acoustic phonon properties via second-order Raman scattering exemplarily on copper iodide single crystals. The origin of multi-phonon features from the second-order Raman spectra was assigned…

Bilayer (BL) molybdenum disulfide (MoS$_2$) is one of the most important electronic structures not only in valleytronics but also in realizing twistronic systems on the basis of the topological mosaics in Moir\'e superlattices. In this…

Materials Science · Physics 2023-04-17 Xingjia Cheng , Wen Xu , Hua Wen , Jing Zhang , Heng Zhang , Haowen Li , Qingqing Chen

Previous multitemperature model (MTM) resolving phonon temperatures at the polarization level and measurements have uncovered remarkable nonequilibrium among different phonon polarizations in laser irradiated graphene and metals. Here, we…

Mesoscale and Nanoscale Physics · Physics 2023-01-24 Zherui Han , Peter Sokalski , Li Shi , Xiulin Ruan

Two-dimensional Molybdenum Disulfide (MoS2) has shown promising prospects for the next generation electronics and optoelectronics devices. The monolayer MoS2 can be patterned into quasi-one-dimensional anisotropic MoS2 nanoribbons (MNRs),…

Materials Science · Physics 2016-09-27 Jiang-Bin Wu , Huan Zhao , Yuanrui Li , Douglas Ohlberg , Wei Shi , Wei Wu , Han Wang , Ping-Heng Tan