Related papers: Charge transfer induced cubic gauche nitrogen from…
In contrast to carbon, which forms long polymeric chains, all-nitrogen chains are very unstable. Here we found that nitrogen and hydrogen directly react at room temperature and pressures of about 35 GPa forming a mixture of nitrogen…
Using first-principles density functional theory calculations, we investigate the pressure-induced quantum phase transition (QPT) from the charge density wave (CDW) to the pristine phase in the layered kagome metal CsV$_3$Sb$_5$ consisting…
Recent experiments showed the distinct observations on the transition metal ditelluride NiTe$_2$ under pressure: one reported a superconducting phase transition at 12 GPa, whereas another observed a sign reversal of Hall resistivity at 16…
The electronic structure of Mn doped GaAs and GaN have been examined within a multiband Hubbard model. By virtue of the positioning of the Mn d states, Mn doped GaAs is found to belong to the p-d metal regime of the Zaanen-Sawatzky-Allen…
We study graphene nanoribbon (GNR) interconnects obtained from graphene grown by chemical vapor deposition (CVD). We report low- and high-field electrical measurements over a wide temperature range, from 1.7 to 900 K. Room temperature…
The heat capacity of bundles of closed-cap single-walled carbon nanotubes (SWNT) with one-dimensional chains of nitrogen molecules adsorbed in the grooves has been first experimentally studied at temperatures from 2K to 40K using an…
Embedding quantum dots (QDs) on nanowire (NW) sidewalls allows the integration of multi-layers of QDs into the active region of radial p-i-n junctions to greatly enhance light emission/absorption. However, the surface curvature makes the…
This work describes the development of a third-generation charge optimized many-body (COMB3) potential for Al-C and its application to the investigation of aluminum/graphene nanostructures. In particular, the new COMB3 potential was used to…
We investigate near-equilibrium ballistic transport through a quantum point contact (QPC) along a GaAs/AlGaAs heterojunction with a transfer matrix technique, as a function of temperature and the shape of the potential barrier in the QPC.…
We report the electronic properties of the NdNiO3, prepared at the ambient oxygen pressure condition. The metal-insulator transition temperature is observed at 192 K, but the low temperature state is found to be less insulating compared to…
In a new family of V-based kagome metals RV$_6$Sn$_6$ (R = Sc, Y, La), only ScV$_6$Sn$_6$ was observed to exhibit the unusual charge density wave (CDW) with a $\sqrt{3}{\times}\sqrt{3}$ in-plane ordering and a tripling of the unit cell…
Understanding the process of electron tunneling in chirality-induced single-molecule junctions is imperative for the development of nanoscale switching and artificial nanomotors. Based on the combined non-equilibrium Green functions…
High frequency conductivity of hot electrons in an undoped single walled achiral carbon nanotubes (CNTs) under the influence of ac-dc driven fields is considered. We investigated semiclassically by solving the Boltzmann's transport equation…
We employed accurate full potential density-functional theory and linearized augmented plane wave method to investigate the electronic properties and possible phase transitions of Cu3N under high pressure. The anti perovskite structure Cu3N…
Niobium polyhydride was synthesized at high pressure and high temperature conditions by using diamond anvil cell combined with in situ high pressure laser heating techniques. High pressure electric transport experiments demonstrate that…
The pressure-induced transformation of diatomic nitrogen into non-molecular polymeric phases may produce potentially useful high-energy-density materials. We combine first-principles calculations with structure searching to predict a new…
CuTe is a two-dimensional (2D) layered material, yet forming a quasi-one-dimensional (quasi-1D) charge-density-wave (CDW) along the a-axis in the ab-plane at high transition temperature $T_{CDW}=335$ K. However, the anisotropic properties…
Both hexagonal wurtzite and cubic zinc blend GaN phases were synthesized in GaAs by 50 keV N+ implantation at 400 deg C and subsequent annealing at 900 deg C for 15 min in N2 ambient. Crystallographic structural and Raman scattering studies…
Recent Scanning Tunneling Spectra(STS) measurement on underdoped cuprate discovers the increase of the maximum superconducting transition temperature $T_c$ when the size of charge transfer gap (CTG) is reduced. Applying pressure is another…
The ternary nitride CaZn2N2, composed only of earth-abundant elements, is a novel semiconductor with a band gap of 1.8 eV. First-principles calculations predict that continuous Mg substitution at the Zn site will change the optical band gap…