| Autor: |
Chowdhury S; Department of Physics and Astronomy, Howard University, Washington, DC 20059, USA.; Material Measurement Laboratory, National Institute of Standards and Technology (NIST), Gaithersburg, MD 20899, USA., Rigosi AF; Physical Measurement Laboratory, National Institute of Standards and Technology (NIST), Gaithersburg, MD 20899, USA., Hill HM; Physical Measurement Laboratory, National Institute of Standards and Technology (NIST), Gaithersburg, MD 20899, USA.; Physics Today, American Institute of Physics, College Park, MD 20740, USA., Vora P; Quantum Science and Engineering Center, George Mason University, Fairfax, VA 22030, USA.; Department of Physics and Astronomy, George Mason University, Fairfax, VA 22030, USA., Hight Walker AR; Physical Measurement Laboratory, National Institute of Standards and Technology (NIST), Gaithersburg, MD 20899, USA., Tavazza F; Material Measurement Laboratory, National Institute of Standards and Technology (NIST), Gaithersburg, MD 20899, USA.; Physical Measurement Laboratory, National Institute of Standards and Technology (NIST), Gaithersburg, MD 20899, USA. |
| Abstrakt: |
Two-dimensional (2D) materials that exhibit charge density waves (CDWs)-spontaneous reorganization of their electrons into a periodic modulation-have generated many research endeavors in the hopes of employing their exotic properties for various quantum-based technologies. Early investigations surrounding CDWs were mostly focused on bulk materials. However, applications for quantum devices require few-layer materials to fully utilize the emergent phenomena. The CDW field has greatly expanded over the decades, warranting a focus on the computational efforts surrounding them specifically in 2D materials. In this review, we cover ground in the following relevant theory-driven subtopics for TaS 2 and TaSe 2 : summary of general computational techniques and methods, resulting atomic structures, the effect of electron-phonon interaction of the Raman scattering modes, the effects of confinement and dimensionality on the CDW, and we end with a future outlook. Through understanding how the computational methods have enabled incredible advancements in quantum materials, one may anticipate the ever-expanding directions available for continued pursuit as the field brings us through the 21st century. |
