Related papers: New Group V Elemental Bilayers: A Tunable Structur…
Antimonene is a novel two-dimensional (2D) semiconducting material of group V elements proposed in a recent literature [Zhang et al., Angew. Chem. Int. Ed. 54, 1-5 (2015)]. Using first-principles calculations, we demonstrated that the…
Weyl semimetals are examples of a new class of topological states of matter which are gapless in the bulk with protected surface states. Their low energy sector is characterized by massless chiral fermions which are robust against…
Adding a few atomic percent of Bi to III--V semiconductors leads to significant changes in their electronic structure and optical properties. Bismuth substitution on the pnictogen site leads to a large increase in spin-orbit splitting…
While 2D materials have enormous potential for future device technologies, many challenges must be overcome before they can be deployed at an industrial scale. One of these challenges is identifying the right semiconductor/insulator…
Nickel/bismuth (Ni/Bi) bilayers are a promising platform for exploring unconventional superconductivity. Ferromagnetic Ni is coupled to Bi, a strong spin orbit metal that only becomes superconducting below approx 10 mK, forming a bilayer…
Kagome lattice composed of transition-metal ions provides a great opportunity to explore the intertwining between geometry, electronic orders and band topology. The discovery of multiple competing orders that connect intimately with the…
Hexagonal SiGe is a promising material for combining electronic and photonic technologies. In this work, the energetic, structural, elastic and electronic properties of the hexagonal polytypes (2$H$, 4$H$ and 6$H$) of silicon and germanium…
Twisted bilayers of two-dimensional materials have emerged as a highly tunable platform for studying broken symmetry phases. While most interest has been focused on emergent states in systems whose constituent monolayers do not feature…
Paucity of naturally occurring noncentrosymmetric materials is stimulating growing interest in engineered two-dimensional systems for nonlinear optical applications. Here, we show that breaking inversion symmetry in centrosymmetric bilayer…
An interesting class of tetrahedrally coordinated ternary compounds have attracted considerable interest because of their potential as good thermoelectrics. These compounds, denoted as I$_3$-V-VI$_4$, contain three monovalent-I (Cu, Ag),…
Search for low-dimensional materials with unique electronic properties is important for the development of electronic devices in nano scale. Through systematic first-principles calculations, we found that the band gaps of the…
Layered two-dimensional (2D) materials exhibit unique properties, expanding opportunities in material design. We investigate MX$_2$ transition metal dichalcogenides (TMDCs) (M = Mo, W; X = S, Se, Te) in homo- and heterobilayers with…
Recent experimental realization of long sought Weyl fermions in non-magnetic crystals has greatly motivated condensed matter physicists to search for materials supporting Weyl fermions. Weyl fermions appear to be very promising for future…
Twisted double bilayer graphene has recently emerged as an interesting moir\'e material that exhibits strong correlation phenomena that are tunable by an applied electric field. Here we study the atomic and electronic properties of three…
We analyze the electronic structure of group II-VI semiconductors obtained within LMTO approach in order to arrive at a realistic and minimal tight binding model, parameterized to provide an accurate description of both valence and…
The growth of bilayers of two-dimensional (2D) materials on conventional 3D semiconductors results in 2D/3D hybrid heterostructures, which can provide additional advantages over more established 3D semiconductors while retaining some…
Two-dimensional materials with Rashba split bands near the Fermi level are key to developing upcoming next-generation spintronics. They enable generating, detecting, and manipulating spin currents without an external magnetic field. Here,…
It is now well established theoretically and experimentally that a moir\'e pattern, due to a rotation of two atomic layers with respect to each other, creates low-energy flat bands. First discovered in twisted bilayer graphene, these new…
In the emerging world of twisted bilayer structures, the possible configurations are limitless, which enables for a rich landscape of electronic properties. In this paper, we focus on twisted bilayer transition metal dichalcogenides (TMDCs)…
In topological semimetals such as Weyl, Dirac, and nodal-line semimetals, the band gap closes at points or along lines in k space which are not necessarily located at high-symmetry positions in the Brillouin zone. Therefore, it is not…