2016年9月16日 · In this work, we report first-principles density functional theory (DFT) results which provide a comprehensive description of the electronic structure of this system, bring some light into the long-debated mechanism of the CDW, report in depth calculations of the DOS near the Fermi level to discuss the surprising quasi-band gap feature reported ...

2020年6月26日 · We report the growth of single-layer vanadium diselenide (VSe 2) by molecular-beam epitaxy on superconducting niobium diselenide (NbSe 2) substrate and study the magnetic and electrical...

2024年11月28日 · 利用分子束外延技术在2H-NbSe2块体上生长单层VSe2，实现了人工近藤晶格/超导体异质结的构建。 光谱成像扫描隧道显微镜测量表明，在单层VSe2上出现了一个具有√3 × √3周期性的电荷密度波（CDW）相。

2024年12月1日 · By utilizing the liquid phase exfoliation technique, NbSe 2 nanosheets was transformed into a nonlinear optical modulation device, marking its inaugural use in 2 µm solid-state pulse lasers for the first time. In the current study, we studied the electronic structure and optical properties of NbSe 2 through density functional theory (DFT).

Using van der Waals tunnel junctions, we perform spectroscopy of superconducting NbSe2 flakes, of 2–25 monolayer thickness, measuring the quasiparticle density of states (DOS) as a function of...

2021年7月1日 · Novel physical properties can be realized in 2D transition metal dichalcogenides (TMDCs) 2H-NbSe 2 via chemical doping. Using first-principles calculations, we have investigated the electronic and optical properties of pristine and 5d-transition metal atoms (M = Hf, Ta, W, Re, Ir, and Pt) doped 3 × 3 supercells of NbSe 2 monolayers.

2018年6月15日 · We have found a strong dependency of the structural parameters on the magnetic configurations considered in this work. By examining the band structure and the DOS of the pristine and intercalated system, the effect of intercalation with Fe is confirmed to be a charge transfer from the Fe atoms to the host \(NbSe_{2}\) material.

利用 Perdew-Burke-Ernzerhof (PBE) 赝势函数来强调 NbSe 六方 P6/mmc 对称结构晶相的结构、电学、弹性常数和光学特性。 此外，态密度 (DOS) 显示，在费米能级，Nb (3d) 态占主导地位，Se (5p) 和 Se (5 s) 态发挥次要作用。 能带结构证实了晶体的金 属性质，显示出导带和价带之间的重叠。 Scherrer 方法、Williamson-Hall (WH) 分析、尺寸应变图 (SSP) 和 Halder-Wagner (HW) 图利用均匀变形模型 (UDM)、均匀应力变形模型 (USDM) 和均匀变形能量密度模型 ( …

2015年11月9日 · Here we report the observation of superconducting monolayer NbSe 2 with an in-plane upper critical field of more than six times the Pauli paramagnetic limit, by means of magnetotransport...

自旋分辨计算态密度 (dos)，材料的电子和磁结构的关键指纹，明确再现了通过扫描隧道光谱在单层 nbse 2 中测量的实验 dos 。 我们的工作使磁性在这种原型相关 2D 材料中发挥作用，这对于理解 2D 超导性和 CDW 阶次的形成机制至关重要。