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Diego José Pasquier

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On meta-analytic models and the effect of hydroxychloroquine use in COVID-19

Diego José Pasquier

2025

Identification of the Mott Insulating Charge Density Wave State in 1T-TaS2

Diego José Pasquier

AMER PHYSICAL SOC2023

Ab initio theory of magnetism in two-dimensional 1T-TaS2

Oleg Yazyev, Diego José Pasquier

We investigate, using a first-principles density functional methodology, the nature of magnetism in monolayer 1T phase of tantalum disulfide (1T-TaS2). Magnetism in the insulating phase of TaS2 is a longstanding puzzle and has led to a variety of theoretic ...

AMER PHYSICAL SOC2022

Mott versus Hybridization Gap in the Low-Temperature Phase of 1T-TaS2

Oleg Yazyev, Diego José Pasquier

We address the long-standing problem of the ground state of 1T-TaS2 by computing the correlated electronic structure of stacked bilayers using the GW + EDMFT method. Depending on the surface termination, the semi-infinite uncorrelated system is either band ...

AMER PHYSICAL SOC2022

Crystal field, ligand field, and interorbital effects in two-dimensional transition metal dichalcogenides across the periodic table

Oleg Yazyev, Diego José Pasquier

Two-dimensional (2D) 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 different cry ...

IOP PUBLISHING LTD2019

Unified picture of lattice instabilities in metallic transition metal dichalcogenides

Oleg Yazyev, Diego José Pasquier

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 (CDWs) when not too strong. We study from first principles the fermiology and phonon disper ...

AMER PHYSICAL SOC2019

Crystalline and correlated phases in two-dimensional transition metal dichalcogenides

Diego José Pasquier

This thesis is dedicated to the study of various aspects of the electronic structure of two-dimensional transition metal dichalcogenides (TMDs) of chemical composition MX

_2

(where M is a transition metal atom and X= S, Se, Te), using a combination of \te ...

EPFL2019

Charge density wave phase, Mottness, and ferromagnetism in monolayer 1T-NbSe2

Diego José Pasquier

2018

Excitonic effects in two-dimensional TiSe2 from hybrid density functional theory

Oleg Yazyev, Diego José Pasquier

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 understo ...

AMER PHYSICAL SOC2018

2D transition metal dichalcogenides

Andras Kis, Oleg Yazyev, Dmitry Ovchinnikov, Sajedeh Manzeli, Diego José Pasquier

Graphene is very popular because of its many fascinating properties, but its lack of an electronic bandgap has stimulated the search for 2D materials with semiconducting character. Transition metal dichalcogenides (TMDCs), which are semiconductors of the t ...

Nature Publishing Group2017

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On meta-analytic models and the effect of hydroxychloroquine use in COVID-19

Diego José Pasquier

2025

Crystalline and correlated phases in two-dimensional transition metal dichalcogenides

Diego José Pasquier

This thesis is dedicated to the study of various aspects of the electronic structure of two-dimensional transition metal dichalcogenides (TMDs) of chemical composition MX

_2

(where M is a transition metal atom and X= S, Se, Te), using a combination of \te ...

EPFL2019

Crystal field, ligand field, and interorbital effects in two-dimensional transition metal dichalcogenides across the periodic table

Oleg Yazyev, Diego José Pasquier

IOP PUBLISHING LTD2019