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Two-dimensional (2D) molybdenum disulfide (MoS2) has attracted significant attention because of its outstanding properties, suitable for application in several critical technologies like, solar cells, photocatalysis, lithium-ion batteries,…

Computational Physics · Physics 2018-06-13 Mostafa Hasanian , Bohayra Mortazavi , Alireza Ostadhossein , Timon Rabczuk , Adri C. T. van Duin

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…

2H-TaSe2 is a model transition metal dichalcogenide material that develops charge density waves (CDWs).Here we present variable-temperature Raman spectroscopy study on both incommensurate charge density waves (ICDW) and optical phonon modes…

Materials Science · Physics 2017-12-13 Lin Cui , Qiaoling Huang , Gaomin Li , Yumeng You , Mingyuan Huang

Using an ab initio density functional theory (DFT) based electronic structure method, we study the effects of adatoms on the electronic properties of monolayer transition metal dichalcogenide (TMD) Molybdenum-disulfide (MoS2). We consider…

Mesoscale and Nanoscale Physics · Physics 2014-04-08 Jiwon Chang , Stefano Larentis , Emanuel Tutuc , Leonard F. Register , Sanjay K. Banerjee

Polarization- and temperature-dependent Raman data along with theoretical simulations are presented for the Kagome ferromagnet Fe_3Sn_2. Eight out of nine expected phonon modes were identified. The experimental energies compare well with…

Two-dimensional group-10 noble transition metal dichalcogenides have garnered growing attention due to their rich physical properties and promising applications across nanoelectronics, optoelectronics, and spintronics. Among them, PtX2 (X =…

Materials Science · Physics 2025-08-15 Atul G. Chakkar , Chaitanya B. Auti , Gaurav Bassi , Mukesh Kumar , Pradeep Kumar

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

Transition metal dichalcogenide monolayers and heterostructures are highly tunable material systems that provide excellent models for physical phenomena at the two-dimensional (2D) limit. While most studies to date have focused on electrons…

A comprehensive study of second harmonic generation on thermally oxidized MoS2 flakes with thickness ranging from monolayer up to seven layers is presented. Observing the fundamental nonlinear behavior for non-treated and oxidized MoS2…

We demonstrate that the electrical property of a single layer molybdenum disulfide (MoS2) can be significantly tuned from semiconducting to insulating regime via controlled exposure to oxygen plasma. The mobility, on-current and resistance…

Intercalation offers a promising way to alter the physical properties of two-dimensional (2D) layered materials. Here we investigate the electronic and vibrational properties of 2D layered MoSe$_2$ intercalated with atomic manganese at…

Materials Science · Physics 2020-09-28 Shunda Chen , Virginia L. Johnson , Davide Donadio , Kristie J. Koski

Two-dimensional transition metal dichalcogenides (TMDs) offer tunable optical and electronic properties, making them highly promising for next-generation optoelectronic devices. One effective approach to engineering these properties is…

We compute the anharmonic shift of the phonon frequencies in MgB2, using density functional theory. We explicitly take into account the scattering between different phonon modes at different q-points in the Brillouin zone. The shift of the…

Superconductivity · Physics 2009-11-10 Michele Lazzeri , Matteo Calandra , Francesco Mauri

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…

When combined into van der Waals heterostructures, transition metal dichalcogenide monolayers enable the exploration of novel physics beyond their unique individual properties. However, for interesting phenomena such as interlayer charge…

We theoretically investigate the electric field-tuning plasmons and plasmon-phonon couplings of two-dimensional (2D) transition metal dichalcogenides (TMDs), such as monolayer MoS2, under the consideration of spin-orbit coupling. It is…

Materials Science · Physics 2025-03-25 Chengxiang Zhao , Wenjun Zhang , Haotong Wang , Fangwei Han , and Haiming Dong

The development of two-dimensional (2D) room temperature magnets is of great significance to the practical application of spintronic devices. However, the number of synthesized intrinsic 2D magnets is limited and the performances of them…

Materials Science · Physics 2023-10-24 Jing Wu , Ruyi Guo , Daoxiong Wu , Xiuling Li , Xiaojun Wu

We investigated the temperature-dependence of the Raman spectra of a nine-layer BaRuO$_3$ single crystal and a four-layer BaRuO$_3$ epitaxial film, which show pseudogap formations in their metallic states. From the polarized and depolarized…

Strongly Correlated Electrons · Physics 2009-11-07 Y. S. Lee , T. W. Noh , J. H. Park , K. -B. Lee , G. Cao , J. E. Crow , M. K. Lee , C. B. Eom , E. J. Oh , In-Sang Yang

We investigate the role of specific phonon mode symmetries for the room temperature superconductivity in atomic hydrogen under large pressure. Using anisotropic Migdal-Eliashberg theory with ab initio input from density functional theory,…

Superconductivity · Physics 2021-03-11 Ashok K. Verma , P. Modak , Fabian Schrodi , Alex Aperis , Peter M. Oppeneer

We determine from first-principles the finite-temperature properties--linewidths, line shifts, and lifetimes--of the key vibrational modes that dominate inelastic losses in graphitic materials. In graphite, the phonon linewidth of the…

Materials Science · Physics 2007-10-25 Nicola Bonini , Michele Lazzeri , Nicola Marzari , Francesco Mauri
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