Zobrazeno 1 - 10
of 344
pro vyhledávání: '"Ruzsinszky, Adrienn"'
Accurate and efficient calculation of optical response properties of solid materials is still challenging. We present a meta-generalized gradient approximation (metaGGA) density functional based time-dependent and dielectric function dependent method
Externí odkaz:
http://arxiv.org/abs/2409.04904
The layered transition metal dichalcogenide 1T-TiSe$_2$ is of great research interest, having intriguing properties of charge density waves (CDW) and superconductivity under doping or pressurizing. The monolayer form of 1T-TiSe$_2$ also shows a CDW w
Externí odkaz:
http://arxiv.org/abs/2407.04033
Quantum spin Hall (QSH) insulators have attracted intensive experimental and theoretical studies due to their beneficial applications in spintronic devices. Density functional theory (DFT) meets challenges when describing the electronic structure of
Externí odkaz:
http://arxiv.org/abs/2406.12124
Monolayer molybdenum disulfide ($\mathrm{MoS_2}$) under strain has many interesting properties and possible applications in technology. A recent experimental study examined the effect of strain on the bandgap of monolayer $\mathrm{MoS_2}$ on a mildly
Externí odkaz:
http://arxiv.org/abs/2406.06020
Publikováno v:
npj Computational Materials 10 (2024) 207
Charge density waves (CDWs) in transition metal dichalcogenides are the subject of growing scientific interest due to their rich interplay with exotic phases of matter and their potential technological applications. Here, using density functional the
Externí odkaz:
http://arxiv.org/abs/2404.07414
Autor:
Ning, Jinliang, Lane, Christopher, Barbiellini, Bernardo, Markiewicz, Robert S., Bansil, Arun, Ruzsinszky, Adrienn, Perdew, John P., Sun, Jianwei
Publikováno v:
J. Chem. Phys. 160, 064106 (2024)
The enigmatic mechanism underlying unconventional high-temperature superconductivity, especially the role of lattice dynamics, has remained a subject of debate. Theoretical insights have long been hindered due to the lack of an accurate first-princip
Externí odkaz:
http://arxiv.org/abs/2310.12259
Autor:
Kaplan, Aaron D., Ruzsinszky, Adrienn
Time-dependent density functional theory (TDDFT) within the linear response regime provides a solid mathematical framework to capture excitations. The accuracy of the theory, however, largely depends on the approximations for the exchange-correlation
Externí odkaz:
http://arxiv.org/abs/2308.15392
Two-dimensional (2D) transition metal dichalcogenide (TMD) materials have versatile electronic and optical properties. TMD nanoribbons show interesting properties due to reduced dimensionality, quantum confinement, and edge states. Tang et al. showed
Externí odkaz:
http://arxiv.org/abs/2302.11060
A WSe2 monolayer of 1T' phase is a large band gap quantum spin Hall insulator, supporting dissipationless charge and spin transports through the topologically protected edge states. In this work, we explore the nanoribbon forms of 1T' phase WSe2 by f
Externí odkaz:
http://arxiv.org/abs/2301.02980
A WSe$_2$ monolayer shows many interesting properties due to its spin-orbit coupling induced spin splitting in bands around the Fermi level and the spin-valley configuration. The orientation of the spin polarization in the relevant bands is crucial f
Externí odkaz:
http://arxiv.org/abs/2211.00258