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pro vyhledávání: '"Pasquier, Diego"'
Autor:
Pasquier, Diego
The applicability of DFT+$U$ to the star-of-David phase of $1T$-TaS$_2$ is examined. The viability of a Mott phase as a ground state for the bulk of this material is briefly discussed in light of the available experimental evidence.
Externí odkaz:
http://arxiv.org/abs/2308.05773
Autor:
Petocchi, Francesco, Nicholson, Christopher W., Salzmann, Bjoern, Pasquier, Diego, Yazyev, Oleg V., Monney, Claude, Werner, Philipp
We compute the correlated electronic structure of stacked $1T$-TaS$_2$ bilayers using the $GW$ + EDMFT method. Depending on the surface termination, the semi-infinite uncorrelated system is either band-insulating or exhibits a metallic surface state.
Externí odkaz:
http://arxiv.org/abs/2202.01285
Autor:
Pasquier, Diego, Yazyev, Oleg V.
We investigate, using a first-principles density-functional methodology, the nature of magnetism in monolayer $1T$-phase of tantalum disulfide ($1T$-TaS$_2$ ). Magnetism in the insulating phase of TaS$_2$ is a longstanding puzzle and has led to a var
Externí odkaz:
http://arxiv.org/abs/2108.11277
Autor:
Pasquier, Diego, Yazyev, Oleg V.
Publikováno v:
Phys. Rev. B 100, 201103 (2019)
Transition metal dichalcogenides (TMDs) in the $1T$ polymorph are subject to a rich variety of periodic lattice distortions, often referred to as charge density waves (CDW) when not too strong. We study from first principles the fermiology and phonon
Externí odkaz:
http://arxiv.org/abs/1901.10588
Autor:
Pasquier, Diego, Yazyev, Oleg V.
Two-dimensional transition metal dichalcogenides (TMDs) exist in two polymorphs, referred to as $1T$ and $1H$, depending on the coordination sphere of the transition metal atom. The broken octahedral and trigonal prismatic symmetries lead to differen
Externí odkaz:
http://arxiv.org/abs/1810.01302
Autor:
Pasquier, Diego, Yazyev, Oleg V.
Publikováno v:
Phys. Rev. B 98, 235106 (2018)
Transition metal dichalcogenides (TMDs), whether in bulk or in monolayer form, exhibit a rich variety of charge-density-wave (CDW) phases and stronger periodic lattice distortions. While the actual role of nesting has been under debate, it is well un
Externí odkaz:
http://arxiv.org/abs/1805.11560
Autor:
Pasquier, Diego, Yazyev, Oleg V.
Publikováno v:
Phys. Rev. B 98, 045114 (2018)
The recently investigated $1T$-polymorph of monolayer NbSe$_2$ revealed an insulating behaviour suggesting a star-of-David phase with $\sqrt{13}\,\times\sqrt{13}$ periodicity associated with a Mott insulator, reminiscent of $1T$-TaS$_2$. In this work
Externí odkaz:
http://arxiv.org/abs/1803.10727
Autor:
Ovchinnikov, Dmitry, Gargiulo, Fernando, Allain, Adrien, Pasquier, Diego José, Dumcenco, Dumitru, Ho, Ching-Hwa, Yazyev, Oleg V., Kis, Andras
Publikováno v:
Nature Communications, 7, 12391 (2016)
Atomically thin rhenium disulphide (ReS2) is a member of the transition metal dichalcogenide (TMDC) family of materials characterized by weak interlayer coupling and a distorted 1T structure. Here, we report on the electrical transport study of mono-
Externí odkaz:
http://arxiv.org/abs/1608.08765
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