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Thin Bi films are interesting candidates for spintronic applications due to a large spin-orbit splitting that, combined with the loss of inversion symmetry at the surface, results in a band structure that is not spin-degenerate. In recent…

The electronic structure of FeSe, the simplest iron based superconductor (Fe-SC), conceals a potential of dramatic increase of Tc that realizes under pressure or in a single layer film. This is also the system where nematicity, the…

Superconductivity · Physics 2017-02-14 Yu. V. Pustovit , A. A. Kordyuk

Moir{\'e} heterostructures, created by stacking two-dimensional (2D) materials together with a finite lattice mismatch or rotational twist, represent a new frontier of designer quantum materials. Typically, however, this requires the…

Properties of two-dimensional transition metal dichalcogenides are highly sensitive to the presence of defects in the crystal structure. A detailed understanding of defect structure may lead to control of material properties through defect…

The structural misfit compound (PbSe)1.16(TiSe2)2 is reported. It is a superconductor with a Tc of 2.3 K. (PbSe)1.16(TiSe2)2 derives from a parent compound, TiSe2, which shows a charge density wave transition and no superconductivity. The…

Superconductivity · Physics 2015-05-19 N. Giang , Q. Xu , Y. S. Hor , A. J. Williams , S. E. Dutton , H. W. Zandbergen , R. J. Cava

In a tight binding framework, we analyze the characteristics of electronic states in strongly disordered materials (hopping sites are placed randomly with no local order) with tunneling matrix elements decaying exponentially in the atomic…

Materials Science · Physics 2012-02-01 D. J. Priour

Van der Waals heterostructures formed by stacking different types of 2D materials are attracting increasing attention due to new emergent physical properties such as interlayer excitons. Recently synthesized atomically thin indium selenide…

Mesoscale and Nanoscale Physics · Physics 2021-12-15 Dangqi Fang , Siyu Chen , Yaqi Li , Bartomeu Monserrat

We describe procedures to obtain the electronic structure of disordered systems using either tight binding like models or quite directly from ab inito density functional band structure calculations. The band structure is calculated using…

Materials Science · Physics 2011-09-20 M. W. Haverkort , I. S. Elfimov , G. A. Sawatzky

Interlayer rotation and stacking were recently demonstrated as effective strategies for tuning physical properties of various two-dimensional materials. The latter strategy was mostly realized in hetero-structures with continuously varied…

The interrelationship between a material's structure and its properties lies at the heart of materials-related research. Finding how the changes of one affect the other is of primary importance in theoretical and computational materials…

Mesoscale and Nanoscale Physics · Physics 2024-06-14 Hao Wang , Kah-Meng Yam , Zhuoling Jiang , Na Guo , Chun Zhang

Titanium nitride halides, TiNX (X = F, Cl, Br, I) in the {\alpha}-phase (orthorhombic) are exciting quasi two-dimensional (2D) electronic systems exhibiting a fascinating series of electronic ground states under different conditions.…

Materials Science · Physics 2020-04-22 M. M. Hossain , S. H. Naqib

Two dimensional layered materials exhibit versatile electronic properties in their different phases. The intrinsic electronic properties of these materials can be modulated through doping or intercalation. In this study, we investigated the…

Two-dimensional crystals, single sheets of layered materials, often show distinct properties desired for optoelectronic applications, such as larger and direct band gaps, valley- and spinorbit effects. Being atomically thin, the low amount…

Materials Science · Physics 2018-11-14 Roman Kempt , Agnieszka Kuc , Jae Hyo Han , Jinwoo Cheon , Thomas Heine

Many-body effects in condensed matter yield novel quantum states when the electronic density of states is enhanced. A vivid example is flat bands, which suppress kinetic energy and let interactions dominate, when they are filled with an…

A new frontier in condensed matter physics is to stack atomically thin layered-materials with different properties and create intriguing phenomena which do not exist in any of the constituent layers. Transition metal dichalcogenide…

The electronic and optical properties of low-dimensional semiconductors are typically quite different from those of their bulk counterparts. Yet, the optical gap of two-dimensional copper antimony disulfide (CuSbS$_2$) does not dramatically…

Mesoscale and Nanoscale Physics · Physics 2021-08-24 Kevin M. Conley , Caterina Cocchi , Tapio Ala-Nissila

We use ab initio density functional theory to study the equilibrium geometry and electronic structure of few-layer grey arsenic. In contrast to the bulk structure that is semimetallic, few-layer grey As displays a significant band gap that…

Mesoscale and Nanoscale Physics · Physics 2014-10-24 Zhen Zhu , Jie Guan , David Tomanek

Silicene is a promising 2D Dirac material as a building block for van der Waals heterostructures (vdWHs). Here we investigate the electronic properties of hexagonal boron nitride/silicene (BN/Si) vdWHs using first-principles calculations.…

Materials Science · Physics 2021-03-09 Ze-Bin Wu , Yu-Yang Zhang , Geng Li , Shixuan Du , Hong-Jun Gao

Polarization-dependent x-ray absorption spectroscopy at the B 1s edge of single-crystalline Mg(x)Al(1-x)B(2) reveals a strongly anisotropic electronic structure near the Fermi energy. Comparing spectra for superconducting compounds (x=0.9,…

Two-band superconductivity has become an important topic over the last ten years. Extensive experimental and theoretical studies started with MgB2 and are now focused on the iron-based and other new superconductors. In this review, I…

Superconductivity · Physics 2014-02-18 M. Zehetmayer