Pairot Moontragoon

Bio: Pairot Moontragoon is an academic researcher from Khon Kaen University. The author has contributed to research in topics: Materials science & Dielectric. The author has an hindex of 14, co-authored 24 publications receiving 529 citations. Previous affiliations of Pairot Moontragoon include Commission on Higher Education & University of Leeds.

Band structure calculations of Si Ge Sn alloys: achieving direct band gap materials

Abstract: Alloys of silicon (Si), germanium (Ge) and tin (Sn) are continuously attracting research attention as possible direct band gap semiconductors with prospective applications in optoelectronics. The direct gap property may be brought about by the alloy composition alone or combined with the influence of strain, when an alloy layer is grown on a virtual substrate of different compositions. In search for direct gap materials, the electronic structure of relaxed or strained Ge1−xSnx and Si1−xSnx alloys, and of strained Ge grown on relaxed Ge1−x−ySixSny, was calculated by the self-consistent pseudo-potential plane wave method, within the mixed-atom supercell model of alloys, which was found to offer a much better accuracy than the virtual crystal approximation. Expressions are given for the direct and indirect band gaps in relaxed Ge1−xSnx, strained Ge grown on relaxed SixGe1−x−ySny and strained Ge1−xSnx grown on a relaxed Ge1−ySny substrate, and these constitute the criteria for achieving a (finite) direct band gap semiconductor. Roughly speaking, good-size (up to ~0.5 eV) direct gap materials are achievable by subjecting Ge or Ge1−xSnx alloy layers to an intermediately large tensile strain, but not excessive because this would result in a small or zero direct gap (detailed criteria are given in the text). Unstrained Ge1−xSnx bulk becomes a direct gap material for Sn content of >17%, but offers only smaller values of the direct gap, typically ≤0.2 eV. On the other hand, relaxed SnxSi1−x alloys do not show a finite direct band gap.

Drastic Improvement in Gas-Sensing Characteristics of Phosphorene Nanosheets under Vacancy Defects and Elemental Functionalization

Abstract: Efficient chemical gas detection is of great importance for various functionalities (such as leakage detection of hazardous and explosive gases in industrial safety systems). The recent discovery of 2D black phosphorene (BlackP) has created intensive interests toward nanosensors because of its maximized surface-to-volume ratio and exceptional carrier mobility that potentially deliver the superior performance than the conventional transition-metal oxides sensors. In this work, we have performed first-principles DFT calculations coupled with the statistical analysis to unravel the structural, electronic, and gas-sensing characteristics of pristine, defected, and metal-substituted BlackP toward toxic H2S and SO2 gas molecules. Our findings have revealed that pristine BlackP weakly interacts with both H2S and SO2 by van der Waals (vdW) forces characterized by the small binding energies. The analysis of electronic properties via the density of states (DOS) indicates that there is a negligible change in DOS aft...

Thermoelectric properties of Al-doped ZnO: experiment and simulation

Abstract: Advancement in doping other elements, such as Ce, Dy, Ni, Sb, In and Ga in ZnO[1], have stimulated great interest for high-temperature thermoelectric application. In this work, the effects of Al-doping in a ZnO system on the electronic structure and thermoelectric properties are presented, by experiment and calculation. Nanosized powders of Zn1−x Al x O (x = 0,0.01, 0.02, 0.03 and 0.06) were synthesized by hydrothermal method. From XRD results, all samples contain ZnO as the main phase and ZnAl2O4 (spinel phase) peaks were visible when Al additive concentrations were just 6 at%. The shape of the samples changed and the particle size decreased with increasing Al concentration. Seebeck coefficients, on the other hand, did not vary significantly. They were negative and the absolute values increased with temperature. However, the electrical resistivity decreased significantly for higher Al content. The electronic structure calculations were carried out using the open-source software package ABINIT[2], which is based on DFT. The energy band gap, density of states of Al-doped ZnO were investigated using PAW pseudopotential method within the LDA + U. The calculated density of states was then used in combination with the Boltzmann transport equation[3] to calculate the thermoelectric parameters of Al-doped ZnO. The electronic band structures showed that the position of the Fermi level of the doped sample was shifted upwards in comparison to the undoped one. After doping Al in ZnO, the energy band gap was decreased, Seebeck coefficient and electrical conductivity were increased. Finally, the calculated results were compared with the experimental results. The good agreement of thermoelectric properties between the calculation and the experimental results were obtained.

Applications of advanced hybrid organic–inorganic nanomaterials: from laboratory to market

Abstract: Today cross-cutting approaches, where molecular engineering and clever processing are synergistically coupled, allow the chemist to tailor complex hybrid systems of various shapes with perfect mastery at different size scales, composition, functionality, and morphology. Hybrid materials with organic–inorganic or bio–inorganic character represent not only a new field of basic research but also, via their remarkable new properties and multifunctional nature, hybrids offer prospects for many new applications in extremely diverse fields. The description and discussion of the major applications of hybrid inorganic–organic (or biologic) materials are the major topic of this critical review. Indeed, today the very large set of accessible hybrid materials span a wide spectrum of properties which yield the emergence of innovative industrial applications in various domains such as optics, micro-electronics, transportation, health, energy, housing, and the environment among others (526 references).

The 2016 terahertz science and technology roadmap

Abstract: Science and technologies based on terahertz frequency electromagnetic radiation (100 GHz–30 THz) have developed rapidly over the last 30 years. For most of the 20th Century, terahertz radiation, then referred to as sub-millimeter wave or far-infrared radiation, was mainly utilized by astronomers and some spectroscopists. Following the development of laser based terahertz time-domain spectroscopy in the 1980s and 1990s the field of THz science and technology expanded rapidly, to the extent that it now touches many areas from fundamental science to 'real world' applications. For example THz radiation is being used to optimize materials for new solar cells, and may also be a key technology for the next generation of airport security scanners. While the field was emerging it was possible to keep track of all new developments, however now the field has grown so much that it is increasingly difficult to follow the diverse range of new discoveries and applications that are appearing. At this point in time, when the field of THz science and technology is moving from an emerging to a more established and interdisciplinary field, it is apt to present a roadmap to help identify the breadth and future directions of the field. The aim of this roadmap is to present a snapshot of the present state of THz science and technology in 2017, and provide an opinion on the challenges and opportunities that the future holds. To be able to achieve this aim, we have invited a group of international experts to write 18 sections that cover most of the key areas of THz science and technology. We hope that The 2017 Roadmap on THz science and technology will prove to be a useful resource by providing a wide ranging introduction to the capabilities of THz radiation for those outside or just entering the field as well as providing perspective and breadth for those who are well established. We also feel that this review should serve as a useful guide for government and funding agencies.

Achieving direct band gap in germanium through integration of Sn alloying and external strain

Abstract: GeSn is predicted to exhibit an indirect to direct band gap transition at alloy Sn composition of 6.5% and biaxial strain effects are investigated in order to further optimize GeSn band structure for optoelectronics and high speed electronic devices. A theoretical model has been developed based on the nonlocal empirical pseudopotential method to determine the electronic band structure of germanium tin (GeSn) alloys. Modifications to the virtual crystal potential accounting for disorder induced potential fluctuations are incorporated to reproduce the large direct band gap bowing observed in GeSn alloys.

Atomic and Electronic Structure of Solids

Abstract: This text is a modern treatment of the theory of solids. The core of the book deals with the physics of electron and phonon states in crystals and how they determine the structure and properties of the solid. The discussion uses density functional theory as a starting point and covers electronic and optical phenomena, magnetism and superconductivity. There is also an extensive treatment of defects in solids, including point defects, dislocations, surfaces and interfaces. A number of modern topics where the theory of solids applies are also explored, including quasicrystals, amorphous solids, polymers, metal and semiconductor clusters, carbon nanotubes and biological macromolecules. Numerous examples are presented in detail and each chapter is accompanied by problems and suggested further readings. An extensive set of appendices provides all the necessary background for deriving all the results discussed in the main body of the text.

Electronic band structure and effective mass parameters of Ge1-xSnx alloys

Abstract: This work investigates the electronic band structures of bulk Ge1-xSnx alloys using the empirical pseudopotential method (EPM) for Sn composition x varying from 0 to 0.2. The adjustable form factors of EPM were tuned in order to reproduce the band features that agree well with the reported experimental data. Based on the adjusted pseudopotential form factors, the band structures of Ge1-xSnx alloys were calculated along high symmetry lines in the Brillouin zone. The effective masses at the band edges were extracted by using a parabolic line fit. The bowing parameters of hole and electron effective masses were then derived by fitting the effective mass at different Sn compositions by a quadratic polynomial. The hole and electron effective mass were examined for bulk Ge1-xSnx alloys along specific directions or orientations on various crystal planes. In addition, employing the effective-mass Hamiltonian for diamond semiconductor, band edge dispersion at the Γ-point calculated by 8-band k.p. method was fitted...