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Thermoelectric properties of finite graphene nanoribbons (GNRs) coupled to metallic electrodes are theoretically studied in the framework of tight-binding model and Green's function approach. When the zigzag sides are coupled to the…
On-surface synthesis enables the fabrication of atomically precise graphene nanoribbons (GNRs) with properties defined by their shape and edge topology. While this bottom-up approach provides unmatched control over electronic and structural…
On-surface synthesis enables the fabrication of graphene nanoribbons (GNRs) with atomic precision, allowing their electronic, optical, and magnetic properties to be tuned by engineering edge structure and width. Progress on the synthesis of…
One of important challenges in condensed-matter physics is to realize new quantum states of matter by manipulating the dimensionality of materials, as represented by the discovery of high-temperature superconductivity in atomic-layer…
Bilayer graphene -- two coupled single graphene layers stacked as in graphite -- provides the only known semiconductor with a gap that can be tuned externally through electric field effect. Here we use a tight binding approach to study how…
We study the quantum phase transition of interacting electrons in quantum wires from a one-dimensional (1D) linear configuration to a quasi-1D zigzag arrangement using quantum Monte Carlo methods. As the density increases from its lowest…
Realizing controllable room-temperature ferromagnetism in carbon-based materials is one of recent prospects. The magnetism in graphene nanostructures reported previously is mostly formed near the vacancies, zigzag edges, or impurities by…
Topological phases of matter give rise to exotic physics that can be leveraged for next generation quantum computation and spintronic devices. Thus, the search for topological phases and the quantum states that they exhibit have become the…
Void defect is a possible origin of ferromagnetic like feature of pure carbon material. Applying density functional theory to void defect induced graphene nano ribbon (GNR), a detailed relationship between multiple spin state and structure…
A uniform distribution of point defects in an otherwise perfect crystallographic structure usually describes a unique pseudo phase of that state of a non-stoichiometric material. With off-stoichiometric uranium dioxide as a prototype, we…
Two-dimensional (2D) topological electronic insulators are known to give rise to gapless edge modes, which underlie low energy dynamics, including electrical and thermal transport. This has been thoroughly investigated in the context of…
We report combined first-principle and tight-binding (TB) calculations to simulate the effects of chemical edge modifications on structural and electronic properties. The C-C bond lengths and bond angles near the GNR edge have considerable…
Recently, transition metal dichalcogenides (TMDCs) semiconductors have been utilized for investigating quantum phenomena because of their unique band structures and novel electronic properties. In a quantum dot (QD), electrons are confined…
The low temperature phase diagram of 1D disordered quantum systems like charge or spin density waves, superfluids and related systems is considered by a full finite T renormalization group approach, presented here for the first time. At…
Structural transformations at interfaces are of profound fundamental interest as complex examples of phase transitions in low-dimensional systems. Despite decades of extensive research, no compelling evidence exists for structural…
A 3D layered system of charges with logarithmic interaction parallel to the layers and random dipoles is studied via a novel variational method and an energy rationale which reproduce the known phase diagram for a single layer. Increasing…
Lars Onsager and Richard Feynman envisioned that the three-dimensional (3D) superfluid-to-normal $\lambda$ transition in $^{4}$He occurs through the proliferation of vortices. This process should hold for every phase transition in the same…
In this paper, we apply the first-principle theory to explore how the electronic structures of armchair graphene nanoribbons (AGNRs) are affected by chemical modifications. The edge addends include H, F, N, NH$_{2}$, and NO$_{2}$. Our…
One of the most striking many-body phenomena in nature is the sudden change of macroscopic properties as the temperature or energy reaches a critical value. Such equilibrium transitions have been predicted and observed in two and three…
Atomically precise graphene nanoribbons (GNRs) have emerged as promising candidates for nanoelectronic applications due to their widely tunable energy band gaps resulting from lateral quantum confinement and edge effects. Here we report on…