相关论文: Negative thermal expansion in CdSe quasi-two-dimen…

Formation energies, charge transitions levels, and quasiparticle defect states of the tellurium antisite $(\text{Te}_\text{Cd})$ in CdTe are addressed within the DFT${0.05cm}+{0.05cm}$\emph{GW} formalism. We find that…

This study investigates the thermal expansion coefficient of two-dimensional (2D) functionalized boron nitride (f-BN) materials using first-principles density functional theory (DFT). Two-dimensional materials, particularly hexagonal boron…

The thermoelectric properties of two typical SiGe nanotubes are investigated using a combination of density functional theory, Boltzmann transport theory, and molecular dynamics simulations. Unlike carbon nanotubes, these SiGe nanotubes…

We present results on the growth of CdTe-HgTe core-shell nanowires, a realization of a quasi one-dimensional heterostructure of the topological insulator HgTe. The growth is a two step process consisting of the growth of single crystalline…

The addition of transition metal elements can significantly modify physical properties of intermetalic compounds. We studied the influence of Molybdenum and Vanadium additives on thermal expansion coefficient (CTE) of Fe/sub 3/Al and FeAl…

Classical nucleation theory predicts size-dependent nucleation and melting due to surface and confinement effects at the nanoscale. In correlated electronic states, observation of size-dependent nucleation and melting is rarely reported,…

Self-nucleation in CdZnTe crystal growth remains a significant challenge, despite numerous attempts to achieve large-grain single crystals by restricting multi-nucleation during growth process using the traveling heater method. In this…

ZrW$_{2}$O$_{8}$ is the prototypical example of a material exhibiting negative thermal expansion (NTE). It is now widely accepted that in ZrW$_{2}$O$_{8}$, and in many other framework materials exhibiting NTE, a collection of low energy…

We consider the thermal expansion, change of sound velocity with pressure and temperature, and the Poisson ratio of lattices which have rigid units (polyhedra very large stiffness to change in bond-length and to bond-angle variations)…

Thermal expansion of MAX phases along different directions tended to be different because of the anisotropy of hexagonal crystals. Herein, a new Hf2SeC phase was synthesized and confirmed to be relatively isotropic, whose coefficients of…

Negative thermal expansion materials are important and desirable in science and engineering applications. However, natural materials with isotropic negative thermal expansion are rare and usually unsatisfied in performance. Here, we propose…

We study the effects of temperature on the topological nature of ZrTe$_5$, which sits near the phase boundary between strong and weak topological insulating orders. Using first-principles calculations, we show that the band gap and the…

The structural and thermal properties of bulk Td-WTe2 have been studied by using first-principles calculations. We find that the lattice thermal conductivity of WTe2 is anisotropic, with the highest value along a-axis and lowest one along…

As the energy problem becomes more prominent, researches on thermoelectric (TE) materials have deepened over the past few decades. Low thermal conductivity enables thermoelectric materials better thermal conversion performance. In this…

The structural and magnetic properties of Fe$_{1-x}$Ni$_x$~($x$ = 0.32, 0.36, 0.40, 0.50) alloys have been investigated using synchrotron based x-ray diffraction (XRD) technique with x-rays of wavelength 0.63658 \AA\ down to 50 K…

Low dimensional structures have demonstrated improved thermoelectric (TE) performance because of a drastic reduction in their thermal conductivity, {\kappa}l. This has been observed for a variety of materials, even for traditionally poor…

High quality p-type PbTe-CdTe monocrystalline alloys containing up to 10 at.$\%$ of Cd are obtained by self-selecting vapor transport method. Mid infrared photoluminescence experiments are performed to follow the variation of the…

The lattice thermal conductivity (LTC) of ZrSe$_2$, a typical layered transition metal disulfide, has been calculated using a hybrid approach that combines force field molecular dynamics (MD) simulation and Boltzmann transport equation…

Semiconducting nanoparticles are the building blocks of optical nanodevices as their electronic states, and therefore light absorption and emission, can be controlled by modifying their size and shape. CdSe is perhaps the most studied of…

We have investigated the temperature dependence of the photoluminescence spectra and average photoluminescence decay rate of CdTe quantum dot monolayers of different sizes as a function of concentration in the range 77 K to 296 K. It is…