A5100727914- 2D Materials and Applications
- Chalcogenide Semiconductor Thin Films
- MXene and MAX Phase Materials
- Boron and Carbon Nanomaterials Research
- Solid-state spectroscopy and crystallography
- Rare-earth and actinide compounds
- Graphene research and applications
- Diamond and Carbon-based Materials Research
- Inorganic Chemistry and Materials
- Hydrogen Storage and Materials
- Acoustic Wave Resonator Technologies
- Crystal Structures and Properties
- Metallurgy and Material Forming
- Iron-based superconductors research
- Crystallization and Solubility Studies
- Semiconductor materials and interfaces
- X-ray Diffraction in Crystallography
- Particle physics theoretical and experimental studies
- Magnesium Alloys: Properties and Applications
- Ferroelectric and Negative Capacitance Devices
- GaN-based semiconductor devices and materials
- Advanced Memory and Neural Computing
- Additive Manufacturing Materials and Processes
- Advanced Thermoelectric Materials and Devices
- Thermal Radiation and Cooling Technologies
Henan Polytechnic University
2011-2023
Jiaozuo University
2016
Peking University
2005
Abstract The structural and electronic properties of layered C 3 N compound have been studied using ab initio pseudopotential density‐functional method within the local‐density approximation. Total energy, lattice constant, band structure, electron density state are calculated. Among three possible monolayer configurations, monolayer‐I structure with highest symmetry is most stable predicted to be a narrowgap semiconductor an indirect gap about 0.283 eV. four stacking configurations...
Using both the swarm-intelligence-based CALYPSO method and multi-algorithm-collaborative (MAC) algorithm for crystal structure prediction, three unexpected new phases (<italic>P</italic>6<sub>3</sub>/<italic>mmc</italic>, <italic>C</italic>2/<italic>m</italic> <italic>Cmca</italic>) of IrB<sub>4</sub> are predicted.
Abstract In this paper, hydrothermal approach combined with high pressure sintering method was employed to synthesize PbS. The X-ray diffraction results show that single phase PbS can be obtained by a simple method. scanning electron microscope the sample has nearly cubic shape and preserves well crystallized coarse grains after sintering. thermoelectric performance of in study is comparable prepared conventional carrier type concentration tuned effectively doping Bi. maximum figure merit...
Hexagonal monolayer AlN (h‐mAlN) is an indirect wide‐gap semiconductor and attractive for use in optoelectronic devices. Herein, first‐principles calculations are performed to study the electronic, vibrational, elastic, piezoelectric properties of H F‐functionalized sheets. The results indicate that H‐/F‐functionalized (FAlNH) fully H‐functionalized (HAlNH) sheets thermodynamically dynamically stable. FAlNH a direct bandgap material while HAlNH still one. F(H) atoms F(H)AlNH bonded with Al...
ZrBeSi is the prototype of ZrBeSi‐type crystals, but its fundamental properties have not been well studied till now. In this work, a systematic study on electronic, elastic, and vibrational under zero high pressures has performed by first‐principles calculation. Calculated electronic indicate that metallic dictated mainly Zr 4d state. Its metallicity weakens as pressure increases. Studies reveal sp 2 hybridization exists in Be atoms their 2p orbitals accept electrons from atoms, leading them...
In the framework of littlest Higgs Model with <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" id="M3"><mml:mrow><mml:mi>T</mml:mi></mml:mrow></mml:math>-parity, we discuss top partner production at future id="M4"><mml:msup><mml:mrow><mml:mi>e</mml:mi></mml:mrow><mml:mrow><mml:mo>+</mml:mo></mml:mrow></mml:msup><mml:msup><mml:mrow><mml:mi>e</mml:mi></mml:mrow><mml:mrow><mml:mo>-</mml:mo></mml:mrow></mml:msup></mml:math> collider. We calculate cross sections processes and associated...
Thermodynamics basic and alloy phase evolution of Mg-Sn-Si are studied. The results indicate that for alloy, the specific heat increases with temperature, it changes quickly at low temperature while gently high temperature. In range its thermal expansion exponentially increase in linearly. two structures Mg2 (Six, Sn1-x) (Snx,Si1-x) phases, replacement position Si or Sn is indefinite, they could be face-center location vertex location. Under conditions conventional solidification, values x...