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We present an \textit{ab initio} investigation of the long-range charge density wave (CDW) order and superconducting properties of the pristine and lithiated NbSe$_2$ monolayer. Stable CDW structures are obtained through atomic…

超导电性 · 物理学 2025-07-17 Hari Paudyal , Michael E. Flatté

Transition metal dichalcogenides have been actively studied for their intriguing charge density wave (CDW) formations and their impacts on material properties. Among these, 1T-TiSe$_2$ is well-known to exhibit a 2$\times$2$\times$2 CDW…

材料科学 · 物理学 2025-09-09 Seungrok Mun , Woojin Choi , Hayoon Im , Sung-Kwan Mo , Choongyu Hwang , Jinwoong Hwang , Heung-Sik Kim

Quantum confinement has made it possible to detect and manipulate single-electron charge and spin states. The recent focus on two-dimensional (2D) materials has attracted significant interests on possible applications to quantum devices,…

1T-TaS$_2$ is a layered charge density wave (CDW) crystal exhibiting sharp phase transitions and associated resistance changes. These resistance steps could be exploited for information storage, underscoring the importance of controlling…

We investigate the charge density wave (CDW) instability in single and double layers, as well as in the bulk 2H-NbSe$_{2}$. We demonstrate that the density functional theory correctly describes the metallic CDW state in the bulk…

材料科学 · 物理学 2015-05-14 Matteo Calandra , I. I. Mazin , Francesco Mauri

Using density functional theory with added on-site interactions (DFT+U), we study the electronic structure of bulk, monolayer, and bilayer of the layered transition-metal dichalcogenide $1T-TaS_2$. We show that a two-dimensional…

材料科学 · 物理学 2015-06-18 Pierre Darancet , Andrew J. Millis , Chris A. Marianetti

Layered transition metal dichalcogenide (TMD) materials, i.e. 1T-TiSe$_2$ and 2H-NbSe$_2$, harbor a second order charge density wave (CDW) transition where phonons play a key role for the periodic modulations of conduction electron…

强关联电子 · 物理学 2017-10-11 Ang J. Li , Xiaochen Zhu , Daniel Rhodes , Christopher C. Samouce , Luis Balicas , Arthur F. Hebard

Two-dimensional (2D) van der Waals (vdW) heterostructures consist of different 2D crystals with diverse properties, constituting the cornerstone of the new generation of 2D electronic devices. Yet interfaces in heterostructures inevitably…

材料科学 · 物理学 2024-09-04 Yuxiang Gao , Fenglin Deng , Ri He , Zhicheng Zhong

We investigate excitons in stacked transition metal dichalcogenide (TMDC) layers under perpendicularly applied electric field, herein MoSe$_2$/WSe$_2$ van der Waals heterostructures. Band structures are obtained with density functional…

介观与纳米尺度物理 · 物理学 2018-09-19 A. Chaves , J. G. Azadani , V. Ongun Özçelik , R. Grassi , T. Low

The spatially uniform electronic density characteristic of a metal can become unstable at low temperatures, leading to the formation of charge density waves (CDWs). These CDWs, observed in dichalcogenides, cuprates, and pnictides arise from…

Charge density wave (CDW) is a collective quantum phenomenon in metals and features a wave-like modulation of the conduction electron density. A microscopic understanding and experimental control of this many-body electronic state in…

Electronic properties of crystals can be manipulated using spatially periodic modulations. Long-wavelength, incommensurate modulations are of particular interest, exemplified recently by moir\'e patterned van der Waals (vdW)…

Coexisting orders are key features of strongly correlated materials and underlie many intriguing phenomena from unconventional superconductivity to topological orders. Here, we report the coexistence of two interacting charge-density-wave…

Charge-density-wave (CDW) instability and pressure-induced superconductivity in bulk 1T-NbS2 are predicted theoretically by first-principles calculations. We reveal a CDW instability towards the formation of a stable commensurate CDW order,…

强关联电子 · 物理学 2020-10-20 Wei Wang , Bosen Wang , Zhibin Gao , Gang Tang , Wen Lei , Xiaojun Zheng , Huan Li , Xing Ming , Carmine Autieri

There has been a recent renewal of interest in charge-density-wave (CDW) phenomena, primarily driven by the emergence of two-dimensional (2D) layered CDW materials, such as 1T-TaS2, characterized by very high transition temperatures to CDW…

介观与纳米尺度物理 · 物理学 2019-03-18 Guanxiong Liu , Sergey Rumyantsev , Matthew. A. Bloodgood , Tina T. Salguero , Alexander A. Balandin

Charge density wave (CDW) order is an emergent quantum phase that is characterized by a periodic lattice distortion and charge density modulation, often present near superconducting transitions. Here we uncover a novel inverted CDW state by…

Charge density wave (CDW) is discovered within a wide interval in solids, however, its microscopic nature is still not transparent in most realistic materials, and the recently studied chiral ones with chiral structural distortion remain…

材料科学 · 物理学 2024-12-11 Shuai Zhang , Kaifa Luo , Tiantian Zhang

Van der Waals layered and 2D materials constitute an extraordinary playground for condensed matter physics, since the strong confinement of wavefunctions to two dimensions supports a diverse set of correlated phenomena. By creating…

介观与纳米尺度物理 · 物理学 2023-08-14 Joohyung Park , Ayan N. Batyrkhanov , J. R. Schaibley , Oliver L. A. Monti

Solids undergoing a transition from order to disorder experience the proliferation of topological defects. The melting process generates transient quantum states. However, their dynamical nature with femtosecond lifetime hinders exploration…

强关联电子 · 物理学 2023-12-15 Sanghun Lee , Eunseo Kim , Junho Bang , Jongho Park , Changyoung Kim , Dirk Wulferding , Doohee Cho

High-density phase change memory (PCM) storage is proposed for materials with multiple intermediate resistance states, which have been observed in 1$T$-TaS$_2$ due to charge density wave (CDW) phase transitions. However, the metastability…