Pressure-induced superconductivity up to 13.1 K in the pyrite phase of palladium diselenide 
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ElGhazali, M. A.; Naumov, Pavel G.; Mirhosseini, Hossein; Süß, Vicky; Müchler, Lukas; Schnelle, Walter; Felser, Claudia; Medvedev, S. A.

doi:10.1103/physrevb.96.060509

Cited by 81 publications

(106 citation statements)

References 36 publications

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“…In recent publications, these relatively small differences have led to some controversy in the prediction of the most stable phase when there are only a few layers . Experimentally, PdTe 2 also prefers the 1 T phase, whereas both PdS 2 and PdSe 2 adopt a completely different layered structure with an orthorhombic unit cell, here called the 2 O phase (Figure a) . This structure is quite surprising as a result of its unique pentagonal tiling .…”

Section: Structures Of Layered Nm(d/p)csmentioning

confidence: 99%

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Two‐Dimensional Noble‐Metal Chalcogenides and Phosphochalcogenides

2020

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Noble‐metal chalcogenides, dichalcogenides, and phosphochalcogenides are an emerging class of two‐dimensional materials. Quantum confinement (number of layers) and defect engineering enables their properties to be tuned over a broad range, including metal‐to‐semiconductor transitions, magnetic ordering, and topological surface states. They possess various polytypes, often of similar formation energy, which can be accessed by selective synthesis approaches. They excel in mechanical, optical, and chemical sensing applications, and feature long‐term air and moisture stability. In this Minireview, we summarize the recent progress in the field of noble‐metal chalcogenides and phosphochalcogenides and highlight the structural complexity and its impact on applications.

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Section: Structures Of Layered Nm(d/p)csmentioning

confidence: 99%

“…Furthermore, one lattice vector (either a or b ) is slightly elongated to avoid degenerate d states on the metal centers. Consequently, the PdS 2 ‐type structures are generally semiconductors, but close their band gaps under pressure …”

Section: Structures Of Layered Nm(d/p)csmentioning

confidence: 99%

Two‐Dimensional Noble‐Metal Chalcogenides and Phosphochalcogenides

2020

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“…Moreover, studies show that some members of the PdX 2 family also adopt another structural phase, specifically pyrite and marcasite, rather than the common 1T or 2H, making their properties different depending on the geometry [29]. Furthermore, recent studies [30][31][32][33] have shown that bulk PdX 2 exhibit superconductivity and their critical temperatures could be further tuned through change in pressure.…”

Section: Introductionmentioning

confidence: 99%

Layer-dependent band engineering of Pd dichalcogenides: a first-principles study

et al. 2020

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Among the families of transition metal dichalcogenides (TMDs), Pd-based TMDs have been one of the less explored materials. In this study, we investigate the electronic properties of PdX 2 (X = S, Se, or Te) bulk and thin films. The analysis of structural stability shows that the bulk and thin film (1 to 5 layers) structures of PdS 2 exhibit pyrite, while PdTe 2 exhibits 1T. Furthermore, PdSe 2 exhibits pyrite in bulk and thin films down to the bilayer. Most surprisingly, PdSe 2 monolayer transits to 1T phase. For the electronic properties of the stable bulk configurations, pyrite PdS 2 and PdSe 2 , and 1T PdTe 2 , demonstrate semi-metallic features. For monolayer, on the other hand, the stable pyrite PdS 2 and 1T PdSe 2 monolayers are insulating with band gaps of 1.399 eV and 0.778 eV, respectively, while 1T PdTe 2 monolayer remains to be semi-metallic. The band structures of all the materials demonstrate a decreasing or closing of indirect band gap with increasing thickness. Moreover, the stable monolayer band structures of PdS 2 and PdSe 2 exhibit flat bands and diverging density of states near the Fermi level, indicating the presence of van Hove singularity. Our results show the sensitivity and tunability of the electronic properties of PdX 2 for various potential applications.

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“…Our results show that the lowest conduction band and neighboring valence bands for OsSe 2 and OsTe 2 are completely gapped along high symmetry lines, providing a possible venue for the emergence of nontrivial surface states between them. Previous investigations have implied that these states can be linked with novel physical properties such as giant magnetoresistance [28] and superconductivity [29]. Another interesting electronic feature is the formation of inverted flat band at the bottom of the conduction band near Γ.…”

Section: Resultsmentioning

confidence: 98%

“…The preservation of 3D nodal points under SOC in these materials provides a plausibility for interesting physical phenomena. Recent experiments have confirmed that these topologically nontrivial phases can lead to extremely large magnetoresistance and the emergence of superconductivity [28,29]. Motivated by these findings, here we investigate the family of pyrite-type noble metal selenides and tellurides.…”

Section: Introductionmentioning

confidence: 90%

Selective control of surface spin current in topological pyrite-type OsX2 (X = Se, Te) crystals

2019

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Topological materials host robust surface states, which could form the basis for future electronic devices. As such states have spins that are locked to the momentum, they are of particular interest for spintronic applications. Understanding spin textures of the surface states of topologically nontrivial materials, and being able to manipulate their polarization, is therefore essential if they are to be utilized in future technologies. Here we use first-principles calculations to show that pyrite-type crystals OsX 2 (X= Se, Te) are a class of topological material that can host surface states with spin polarization that can be either in-plane or out-of-plane. We show that the formation of low-energy states with symmetry-protected energy-and direction-dependent spin textures on the (001) surface of these materials is a consequence of a transformation from a topologically trivial to nontrivial state, induced by spin orbit interactions. The unconventional spin textures of these surface states feature an in-plane to out-of-plane spin polarization transition in the momentum space protected by local symmetries. Moreover, the surface spin direction and magnitude can be selectively filtered in specific energy ranges. Our demonstration of a new class of topological material with controllable spin textures provide a platform for experimentalists to detect and exploit unconventional surface spin textures in future spin-based nanoelectronic devices. *

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Pressure-induced superconductivity up to 13.1 K in the pyrite phase of palladium diselenide PdSe2

Cited by 81 publications

References 36 publications

Two‐Dimensional Noble‐Metal Chalcogenides and Phosphochalcogenides

Two‐Dimensional Noble‐Metal Chalcogenides and Phosphochalcogenides

Layer-dependent band engineering of Pd dichalcogenides: a first-principles study

Selective control of surface spin current in topological pyrite-type OsX2 (X = Se, Te) crystals

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