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A theoretical study of the band gap reduction under tensile stress is performed and validated through experimental measurements. First-principles calculations based on density functional theory (DFT) are performed for uniaxial stress…

Strain in a material induces shifts in vibrational frequencies, which is a probe of the nature of the vibrations and interatomic potentials, and can be used to map local stress/strain distributions via Raman microscopy. This method is…

The vibrational and electronic properties of 2-dimensinal (2D) materials can be efficiently tuned by external strain due to their good stretchability. Resonant Raman spectroscopy is a versatile tool to study the physics of phonons,…

We present a new interpretation of measured Raman frequencies of a high-pressure structure of Silicon which was assigned previously to the beta-tin phase. Our results show that the beta-tin->Imma->sh phase transitions have been already…

材料科学 · 物理学 2009-11-11 Katalin Gaal-Nagy , Dieter Strauch

The fabrication of complex nano-scale structures, which is a crucial step in the scaling of (nano) electronic devices, often leads to residual stress in the different layers present. This stress gradient can change many of the material…

材料科学 · 物理学 2025-01-22 Christopher Pashartis , Michiel J. van Setten , Geoffrey Pourtois

We present a first-principles framework to extract deformation potentials in Silicon based on density-functional theory (DFT) and density-functional perturbation theory (DFPT). We compute the electronic band structures, phonon dispersion…

材料科学 · 物理学 2021-11-05 Zhen Li , Patrizio Graziosi , Neophytos Neophytou

A modified phonon confinement model considering the size distribution, an improved phonon dispersion curve and a confinement function is developed for the calculation of size dependent Raman spectra of the silicon (Si) nanocrystals. The…

介观与纳米尺度物理 · 物理学 2015-05-13 Sanjeev K. Gupta , Prafulla K. Jha

By performing density functional theory-based ab-initio calculations, Raman active phonon modes of novel single-layer two-dimensional (2D) materials and the effect of in-plane biaxial strain on the peak frequencies and corresponding…

介观与纳米尺度物理 · 物理学 2018-04-04 M. Yagmurcukardes , C. Bacaksiz , E. Unsal , B. Akbali , R. T. Senger , H. Sahin

Change in the interatomic spacing of a two-atom system under tension and compression has been modelled by the elastic deformation of atoms. The critical elastic strain of atoms before separation or cracking from tension was estimated by the…

超导电性 · 物理学 2024-04-23 Xiaozhi Hu

The principle and experimental realization of a novel Raman spectroscopic technique entitled stimulated Raman phase shift (SRPS) spectroscopy was demonstrated. This technique depends on the measurement of the stimulated Raman scattering…

光学 · 物理学 2024-03-07 Meng Qi , Wenrong Wang , Yuan-ji Li , Jin-xia Feng , Kuan-shou Zhang

Since it is now possible to record vibrational spectra at nanometer scales in the electron microscope it is of interest to explore whether defects such as dislocations or grain boundaries will result in measurable changes of the spectra.…

材料科学 · 物理学 2022-06-22 Peter Rez , Tara Boland , Christian Elsässer , Arunima Singh

Fiber optical strain sensors are used to measure the strain at a particular sensor position inside the fiber. In order to deduce the strain in the surrounding matrix material, one can employ the strain transfer principle. Its application is…

数值分析 · 数学 2020-10-13 Felix Ospald , Kai Bergermann , Roland Herzog

We report the first experiments on the high pressure phonon spectra of transition-metal nitrides HfN, ZrN, and NbN, obtained by Raman scattering measurements. Two pronounced bands, which are related to the acoustic part at low frequency…

Shock compression of silicon (Si) under extremely high pressures (>100 Mbar) was investigated by using two first-principles methods of orbital-free molecular dynamics (OFMD) and path integral Monte Carlo (PIMC). While pressures from the two…

材料科学 · 物理学 2016-12-21 S. X. Hu , B. Militzer , L. A. Collins , K. P. Driver , J. D. Kress

The optical properties of silicon can be greatly tuned by applying strain and opening new perspectives, particularly in applications where infrared is key. In this work, we use a recent model for the indirect light absorption of silicon and…

An experimental study of optical phonon modes, both normal and interface (IF) phonons, in bilayer strain-coupled InAs/GaAs_(1-x)Sb_x quantum dot heterostructures has been presented by means of low-temperature polarized Raman scattering. The…

介观与纳米尺度物理 · 物理学 2024-09-17 Priyesh Kumar , Sudip Kumar Deb , Subhananda Chakrabarti , Jhuma Saha

Experimental phonon imaging in diamond anvils cell is demonstrated to be an adequate tool to extract the complete set of elastic constants of single-crystalline silicon up to the ZB$\rightarrow \beta-$Sn transition (10 GPa). Contrary to…

材料科学 · 物理学 2015-05-19 F. Decremps , L. Belliard , M. Gauthier , B. Perrin

Differently distorted areas on a polycarbonate sample are studied by means of Raman spectroscopy. The various Raman lines, whose energy shifts range between 200 and 3200 cm-1, are compared for different sample positions with respect to…

材料科学 · 物理学 2012-03-02 J. Debus , D. Dunker

Electrostatic gating offers elegant ways to simultaneously strain and dope atomically thin membranes. Here, we report on a detailed \textit{in situ} Raman scattering study on graphene, suspended over a Si/SiO$_2$ substrate. In such a…

介观与纳米尺度物理 · 物理学 2017-01-30 Dominik Metten , Guillaume Froehlicher , Stéphane Berciaud

A comparative analysis of two Raman line-shape functions has been carried out to validate the true representation of experimentally observed Raman scattering data for semiconducting nanomaterials. A modified form of already existing phonon…

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