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Layered van der Waals transition metal dichalcogenides (TMDCs), generally composed of three atomic X-M-X planes in each layer (M = transition metal, X = chalcogen), provide versatile platforms for exploring diverse quantum phenomena. In…

Mesoscale and Nanoscale Physics · Physics 2024-05-28 Ya-Xin Zhao , Zi-Yi Han , Ya-Ning Ren , Ruo-Han Zhang , Xiao-Feng Zhou , Yu Zhang , Lin He

Transition Metal Dichalcogenides (TMD) are layered materials obtained by stacking two-dimensional sheets weakly bonded by van der Waals interactions. In bulk TMD, band dispersions are observed in the direction normal to the sheet plane…

In 5d transition metal oxides such as the iridates, novel properties arise from the interplay of electron correlations and spin-orbit interactions. We investigate the electronic structure of the pyrochlore iridates, (such as…

Strongly Correlated Electrons · Physics 2015-05-19 Xiangang Wan , Ari Turner , Ashvin Vishwanath , Sergey Y. Savrasov

Studying the atomic structure of intrinsic defects in two-dimensional transition metal dichalcogenides is difficult since they damage quickly under the intense electron irradiation in transmission electron microscopy (TEM). However, this…

The charge density wave (CDW) in 1T-TiSe2 accompanied by the periodic lattice distortion has a nontrivial symmetry configuration. The symmetry is important as an indication of the mechanism and a cue for experimental probes. We examine the…

The metallic character of the GeBi2Te4 single crystals is probed using a combination of structural and physical properties measurements, together with density functional theory (DFT) calculations. The structural study shows distorted Ge…

Materials Science · Physics 2014-01-13 A. Marcinkova , J. K. Wang , C. Slavonic , Andriy H. Nevidomskyy , K. F. Kelly , Y. Filinchuk , E. Morosan

We have investigated the electronic structure of Ba4Ir3O10 within the density-functional theory (DFT) using the generalized gradient approximation while considering strong Coulomb correlations (GGA+U) in the framework of the fully…

Strongly Correlated Electrons · Physics 2026-02-18 D. A. Kukusta , L. V. Bekenov , V. N. Antonov

The quasi-one-dimensional chiral compound (TaSe$_4$)$_2$I has been extensively studied as a prime example of a topological Weyl semimetal. Upon crossing its phase transition temperature $T_\textrm{CDW}$ $\approx$ 263 K, (TaSe$_4$)$_2$I…

Intercalation of organic cations in superconducting iron selenide can significantly increase the critical temperature (Tc). We present an electrochemical method using beta-FeSe crystals (Tc ~ 8 K) floating on a mercury cathode to…

Superconductivity · Physics 2021-02-10 Bettina Rendenbach , Timotheus Hohl , Sascha Harm , Constantin Hoch , Dirk Johrendt

Based on first-principles calculations, we systematically study the electronic, dielectric, and plasmonic properties of two-dimensional (2D) electride materials X$_2$N (X=Ca, Sr). We show that both Ca$_2$N and Sr$_2$N are stable down to…

Materials Science · Physics 2015-09-22 Shan Guan , Shengyuan A. Yang , Liyan Zhu , Junping Hu , Yu-Gui Yao

In van der Waals materials, coupling between adjacent layers is weak, and consequently interlayer interactions are weakly screened. This opens the possibility to profoundly modify the electronic structure, e.g., by applying electric fields…

Dimerized valence bond solids appear naturally in spin-1/2 systems on bipartite lattices, with the geometric frustrations playing a key role both in their stability and the eventual `melting' due to quantum fluctuations. Here, we ask the…

Strongly Correlated Electrons · Physics 2022-09-22 Yi Xu , Tianfu Fu , Juraj Hasik , Andriy H. Nevidomskyy

Since the emergence of monolayer graphene as a promising two-dimensional material, many other monolayer and few-layer materials have been investigated extensively. An experimental study of few-layer Si2Te3 was recently reported, showing…

Materials Science · Physics 2016-05-13 Yevgeniy Puzyrev , X. Shen , C. Combs , S. T. Pantelides

The layered transition metal dichalcogenides host a rich collection of charge density wave (CDW) phases in which both the conduction electrons and the atomic structure display translational symmetry breaking. Manipulating these complex…

Mesoscale and Nanoscale Physics · Physics 2016-11-15 A. W. Tsen , R. Hovden , D. Z. Wang , Y. D. Kim , J. Okamoto , K. A. Spoth , Y. Liu , W. J. Lu , Y. P. Sun , J. Hone , L. F. Kourkoutis , P. Kim , A. N. Pasupathy

The electronic structure of the nanolaminated transition metal carbide Ti2AlC has been investigated by bulk-sensitive soft x-ray emission spectroscopy. The measured Ti L, C K and Al L emission spectra are compared with calculated spectra…

Materials Science · Physics 2011-12-30 M. Magnuson , O. Wilhelmsson , J. -P. Palmquist , U. Jansson , M. Mattesini , S. Li , R. Ahuja , O. Eriksson

Atomically thin two-dimensional (2D) materials can be vertically stacked with van der Waals bonds, which enable interlayer coupling. In the particular case of transition metal dichalcogenide (TMD) bilayers, the relative direction between…

An experimental study of the electronic structure of copper intercalated titanium dichalcogenides in a wide range of copper concentrations (x = 0.05 - 0.6) using the x-rays photoemission spectroscopy, resonant photoemission and x-rays…

The creation of moir\'e superlattices in twisted bilayers of two-dimensional crystals has been utilised to engineer quantum material properties in graphene and transition metal dichalcogenide (TMD) semiconductors. Here, we examine the…

Mesoscale and Nanoscale Physics · Physics 2024-05-27 J. G. McHugh , V. V. Enaldiev , V. I. Fal'ko

The interplay between electron-electron interactions and structural ordering can yield exceptionally rich correlated electronic phases. We have used scanning tunneling microscopy to investigate bulk 1T-TaSe2 and have uncovered surprisingly…

Strongly Correlated Electrons · Physics 2023-09-06 Yi Chen , Wei Ruan , Jeffrey D. Cain , Ryan L. Lee , Salman Kahn , Caihong Jia , Alex Zettl , Michael F. Crommie

We show that two-dimensional band insulators, with vanishing bulk polarization, obey bulk-and-edge to corner charge correspondence stating that the knowledge of the bulk and the two corresponding ribbon band structures uniquely determines…

Mesoscale and Nanoscale Physics · Physics 2020-10-05 Luka Trifunovic