相关论文: Mo_6S_6 nanowires: structural, mechanical and elec…
An ab-initio pseudopotential calculation using density functional theory within the local density approximation has been performed to investigate the electronic properties of TlSe which is of chain-like crystal geometry. The energy bands…
Various types of defects in MoS2 monolayers and their influence on the electronic structure and transport properties have been studied using the Density-Functional based Tight-Binding method in conjunction with the Green's Function…
We have fabricated crystalline nanowires of VO_2 using a new synthetic method. A nanowire synthesized at 650^oC shows the semiconducting behavior and a nanowire at 670^oC exhibits the first-order metal-insulator transition which is not the…
Molecular wires with high electrical conductance are desirable components for future molecular-scale circuitry. However, their conductance typically decays exponentially with increasing length. Here, we report a novel discovery that the…
The elastic, thermodynamic, and optical properties of Mo_{2}TiAlC_{2} are investigated by first-principles calculations. Our results indicate that the a axis is stiffer than c axis within 0~100 GPa. Elastic constants calculations predict…
Tl2Mo6Se6 represents a model system for quasi-one-dimensional superconductors. We investigate its superconducting transition in detail by means of electrical transport experiments on high-quality single crystalline samples with onset Tc =…
Measurements of magnetization, specific heat, electrical resistivity, Hall effect, and magnetoresistance on single crystalline samples of LaFeAsO grown in a NaAs flux are reported. While this material is known to be a semimetal, the…
MoS2 is one of the important members of transition metal dichalogenides which is emerging as a potential 2D atomically thin layered material for low power electronic and opto-electronic applications. However, for MoS2 a critical fundamental…
The dimensionality of quantum materials strongly affects their physical properties. Although many emergent phenomena, such as charge-density wave and Luttinger liquid behavior, are well understood in one-dimensional (1D) systems, the…
Single- and few-layer transition metal dichalcogenides have recently emerged as a new family of layered crystals with great interest, not only from the fundamental point of view, but also because of their potential application in ultrathin…
Monolayer molybdenum disulfide (MoS2) has a honeycomb crystal structure. We consider the triangular sublattice of molybdenum atoms and introduce a simple tight-binding Hamiltonian for studying the phase transition and topological…
To calculate the conductivity of a material having full knowledge of its composition is a reasonably simple task. To do the same in reverse, i.e., to find information about the composition of a device from its conductivity response alone,…
The electron-transport properties of single-row monoatomic nanowires made of 5$d$ elements are examined by first-principles calculations based on the density functional theory. We found that oscillation patterns with a period longer than…
We report on low temperature (2-30K) electron transport and magneto-transport measurements of a chemically synthesized InAs nanowire. Both the temperature, T, and transverse magnetic field dependences of the nanowire conductance are…
In the present study, the structural and hitherto uninvestigated mechanical (elastic stiffness constants, machinability index, Cauchy pressure, anisotropy indices, brittleness/ductility, Poissons ratio), electronic, optical, and…
The exploration of superconductivity in low-dimensional materials has attracted intensive attention for decades. Based on first-principles electronic structure calculations, we have systematically investigated the electronic and…
The enormous stiffness and low density of graphene make it an ideal material for nanoelectromechanical (NEMS) applications. We demonstrate fabrication and electrical readout of monolayer graphene resonators, and test their response to…
We utilize density functional theory to calculate the edge energy and edge stress for monolayer MoS$_{2}$ nanoribbons. In contrast to previous reports for graphene, for both armchair and zigzag chiralities, the edge stresses for MoS$_{2}$…
We describe here recent work on the electronic properties, magnetoexcitons and valley polarised electron gas in 2D crystals. Among 2D crystals, monolayer $MoS_2$ has attracted significant attention as a direct-gap 2D semiconductor analogue…
Quantum conductance calculations on the mechanically deformed monolayers of MoS$_2$ and WS$_2$ were performed using the non-equlibrium Green's functions method combined with the Landauer-B\"{u}ttiker approach for ballistic transport…