Search results for: Guiqin Huang

Items from 1 to 12 out of 12 results

article

First-principles prediction of MgB2-like NaBC: A more promising high-temperature superconducting material than LiBC

Rende Miao, Guiqin Huang, Jun Yang

Solid State Communications > 2016 > 233 > C > 30-34

Crystal structure, lattice dynamics, and superconducting properties for sodium borocarbides NaB_1+xC_1−x are investigated with first-principles calculations. Based on crystal structure analysis by particle swarm optimization methodology, NaBC is predicted to crystallize in the layered P63/mmc crystal structure as LiBC. However, it is different from LiBC, in that Na atoms are effectively ionized, with...

article

Characteristic study of a novel compact Solar Thermal Facade (STF) with internally extruded pin–fin flow channel for building integration

Jingchun Shen, Xingxing Zhang, Tong Yang, Llewellyn Tang, more

Applied Energy > 2016 > 168 > C > 48-64

The fully building integrated Solar Thermal Facade (STF) systems can become potential solutions for aesthetics architectural design, as well as for the enhancement of energy efficiency and reduction of operational cost in the contemporary built environment. As a result, this article introduces a novel compact STF with internally extruded pin–fin flow channel that is particularly suitable for the building...

article

Topological surface states of infinitely adaptive series (Bi $_{2}$ Se $_{3}$ ) $_{m}$ (Bi $_{2}$ ) $_{n}$ : A first‐principles study

JunJie Zhang, Xia Liu, GuiQin Huang

physica status solidi (b) > 252 > 9 > 2090 - 2095

The surface electron structures of infinitely adaptive series (Bi

_{2}

_{3}

)

_{m}

(Bi

_{2}

)

_{n}

films with various thicknesses and different terminated terraces are calculated from density‐functional theory by including spin–orbit coupling. Our calculations show that the evolution of the surface states from hybridization gaps for thin films to robust topological surface states for thicker films. However, the topological...

article

Synthesis of Calcium Phosphate Nanoparticle‐Based Docetaxel Delivery System and its In Vitro Anticancer Activity

Chao Yang, Lina Han, Fei Ma, Lin Zhou, more

International Journal of Applied Ceramic Technology > 12 > 2 > 300 - 305

A new docetaxel (DTX) delivery system has been prepared based on calcium phosphate nanoparticles (CaP NPs) and obtained DTX‐adsorbed CaP NPs. The DTX‐adsorbed CaP NPs were nearly spherical with mean diameter about 200 nm and a negative zeta potential of −18.8 ± 0.5 mV. They can be well dispersed and stable in water for a long time. In addition, the DTX‐adsorbed CaP NPs showed higher cytotoxicity in...

article

The effect of 595 nm pulsed dye laser on connective tissue growth factor (CTGF) expression in cultured keloid fibroblasts

Rongyi Zhu, Baishuang Yue, Qiaorong Yang, Ying Ma, more

Lasers in Surgery and Medicine > 47 > 2 > 203 - 209

ObjectiveTo investigate the effect of pulsed dye laser (PDL 595 nm) on the proliferation and expression of connective tissue growth factor (CTGF) in cultured keloid fibroblasts. Materials and MethodsCultured keloid fibroblasts were exposed to pulsed dye laser irradiation at fluences of 6, 8, and 10 J/cm², with pulse durations of 1.5, 3, and 10 ms. The viability of keloid fibroblasts was measured...

article

Phonon dynamics in (Bi2Se3)m(Bi2)n infinitely adaptive series

JunJie Zhang, GuiQin Huang

Solid State Communications > 2014 > 197 > C > 34-39

The(Bi₂Se₃)_m(Bi₂)_n infinitely adaptive series derived from stacking hexagonal Bi₂ and Bi₂Se₃ blocks have been found to be topological insulators. Its structures and phonon dynamics are calculated from density-functional perturbation theory by including spin–orbit coupling. Full phonon dispersion curves and phonon density of states with different ratio of m:n are calculated and the zone-center Raman...

article

Whether FeTe is superconductor: Insights from first-principles calculations

Jian Li, GuiQin Huang, XingFeng Zhu

Physica C: Superconductivity and its applications > 2013 > 492 > Complete > 152-157

We present a first-principles pseudopotential study on the electronic structure, phonon structure and the electron–phonon interaction of stoichiometric FeTe in both the nonmagnetic and double stripe antiferromagnetic phases. Our electronic structure calculations show that the nesting effect of Fermi surface is not present in stoichiometric FeTe after considering the magnetic interaction. Comparing...

article

Thickness evolution of phonon properties in ultrathin Bi (111) films

Juan Yang, GuiQin Huang, Xing Feng Zhu

physica status solidi (b) > 250 > 9 > 1937 - 1942

Ultrathin Bi films have been theoretically predicted to be an elemental two‐dimensional topological insulator recently. Investigation on phonon properties in topological insulators, especially down to a few‐layer regime, is an interesting topic. In this paper, the evolution of structures and phonon properties of ultrathin Bi (111) films with thickness is studied from first‐principles calculations...

article

Spin-phonon coupling in the superconductor FeTe0.5Se0.5 from first-principles calculations

Jian Li, GuiQin Huang

Solid State Communications > 2013 > 159 > Complete > 45-48

We present a first-principles pseudopotential study on the phonon structure and the electron–phonon (EP) interaction of superconductor FeTe _0.5 Se _0.5 in both the nonmagnetic (NM) and striped antiferromagnetic (SAF) phases with the ordered and disordered structural models. The calculations give similar results for the two different structural models, implying that the superconductivity...

article

First-principles study on the lattice dynamics of FeSb2

Rende Miao, Guiqin Huang, Chunhui Fan, Zhong Bai, more

Solid State Communications > 2012 > 152 > 3 > 231-234

The lattice dynamics of FeSb ₂ are investigated by first-principles calculations based on a plane wave pseudopotential method. Phonon spectrum and the electron–phonon linewidths at the Γ-point are obtained using the density-functional perturbation theory within the linear response method. Nine phonon modes are in good agreement with the experimental data, but the B3g mode shows unusually large...

article

Atomic and electronic structure of Mn‐delta doped GaN (1\bar 100) film from first‐principles calculations

JiXia Wang, GuiQin Huang

physica status solidi c > 9 > 1 > 101 - 104

The atomic and electronic structure of Mn‐delta doped GaN (1\bar 100) nonpolar films are investigated using first‐principles calculations. The geometric relaxation is analyzed. When Mn is doped in the interior layer of the film, the atomic relaxation around it is small, the Mn‐N bond length is elongated slightly. But when Mn is doped at the surface layer of the film, the Mn‐N bond length is reduced...

chapter

Atomic and electronic structure of Mn-doped GaN (1 1̄ 00) film from first-principles calculations

JiXia Wang, GuiQin Huang

2010 8th International Vacuum Electron Sources Conference and Nanocarbon > 591 - 592

8th International Vacuum Electron Sources Conference and Nanocarbon (2010 IVESC)

In this paper, a first principles calculation is used to investigate the atomic and electronic properties of Mn-doped GaN (11̅00) film. The ultrasoft pseudo-potential and general gradient approximation for the exchange and correlation energy functional are used with a cutoff of 30 Ry for the expansion of the electronic wave function in plane waves. In the calculational supercell, a Ga atom is substituted...

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