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Machine learning approach for the prediction and optimization of thermal transport properties
Yulou Ouyang, Cuiqian Yu, Gang Yan, Jie Chen
Front. Phys. . 2021, 16 (4 ): 43200-.
https://doi.org/10.1007/s11467-020-1041-x
Traditional simulation methods have made prominent progress in aiding experiments for understanding thermal transport properties of materials, and in predicting thermal conductivity of novel materials. However, huge challenges are also encountered when exploring complex material systems, such as formidable computational costs. As a rising computational method, machine learning has a lot to offer in this regard, not only in speeding up the searching and optimization process, but also in providing novel perspectives. In this work, we review the state-of-the-art studies on material’s thermal properties based on machine learning technique. First, the basic principles of machine learning method are introduced. We then review applications of machine learning technique in the prediction and optimization of material’s thermal properties, including thermal conductivity and interfacial thermal resistance. Finally, an outlook is provided for the future studies.
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A brief review of thermal transport in mesoscopic systems from nonequilibrium Green’s function approach
Zhi-Zhou Yu, Guo-Huan Xiong, Li-Fa Zhang
Front. Phys. . 2021, 16 (4 ): 43201-.
https://doi.org/10.1007/s11467-021-1051-3
With the rapidly increasing integration density and power density in nanoscale electronic devices, the thermal management concerning heat generation and energy harvesting becomes quite crucial. Since phonon is the major heat carrier in semiconductors, thermal transport due to phonons in mesoscopic systems has attracted much attention. In quantum transport studies, the nonequilibrium Green’s function (NEGF) method is a versatile and powerful tool that has been developed for several decades. In this review, we will discuss theoretical investigations of thermal transport using the NEGF approach from two aspects. For the aspect of phonon transport, the phonon NEGF method is briefly introduced and its applications on thermal transport in mesoscopic systems including one-dimensional atomic chains, multi-terminal systems, and transient phonon transport are discussed. For the aspect of thermoelectric transport, the caloritronic effects in which the charge, spin, and valley degrees of freedom are manipulated by the temperature gradient are discussed. The time-dependent thermoelectric behavior is also presented in the transient regime within the partitioned scheme based on the NEGF method.
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Organic single crystal phototransistors: Recent approaches and achievements
Changbin Zhao, Muhammad Umair Ali, Jiaoyi Ning, Hong Meng
Front. Phys. . 2021, 16 (4 ): 43202-.
https://doi.org/10.1007/s11467-021-1053-1
Organic phototransistors (OPTs), compared to traditional inorganic counterparts, have attracted a great deal of interest because of their inherent flexibility, light-weight, easy and low-cost fabrication, and are considered as potential candidates for next-generation wearable electronics. Currently, significant advances have been made in OPTs with the development of new organic semiconductors and optimization of device fabrication protocols. Among various types of OPTs, small molecule organic single crystal phototransistors (OSCPTs) standout because of their exciting features, such as long exciton diffusion length and high charge carrier mobility relative to organic thinfilm phototransistors. In this review, a brief introduction to device architectures, working mechanisms and figure of merits for OPTs is presented. We then overview recent approaches employed and achievements made for the development of OSCPTs. Finally, we spotlight potential future directions to tackle the existing challenges in this field and accelerate the advancement of OSCPTs towards practical applications.
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Theoretical progress on direct Z-scheme photocatalysis of two-dimensional heterostructures
Zhaobo Zhou, Shijun Yuan, Jinlan Wang
Front. Phys. . 2021, 16 (4 ): 43203-.
https://doi.org/10.1007/s11467-021-1054-0
Two-dimensional (2D) materials, due to its excellent mechanical, unique electrical and optical properties, have become hot materials in the field of photocatalysis. Especially, 2D heterostructures can well inhibit the recombination of photogenerated electrons and holes in photocatalysis because of its special energy band structures and carrier transport characteristics, which are conducive to enhancing photoenergy conversion capacity and improving oxidation and reduction ability, so as to purify pollutants and store energy. In this minireview, we summarize recent theoretical progress in direct Z-scheme photocatalysis of 2D heterostructures, focusing on physical mechanism and improving catalytic efficiency. Current challenges and prospects for 2D direct Z-scheme photocatalysts are discussed as well.
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The origin of ultrasensitive SERS sensing beyond plasmonics
Leilei Lan, Yimeng Gao, Xingce Fan, Mingze Li, Qi Hao, Teng Qiu
Front. Phys. . 2021, 16 (4 ): 43300-.
https://doi.org/10.1007/s11467-021-1047-z
Plasmon-free surface-enhanced Raman scattering (SERS) substrates have attracted tremendous attention for their abundant sources, excellent chemical stability, superior biocompatibility, good signal uniformity, and unique selectivity to target molecules. Recently, researchers have made great progress in fabricating novel plasmon-free SERS substrates and exploring new enhancement strategies to improve their sensitivity. This review summarizes the recent developments of plasmon-free SERS substrates and specially focuses on the enhancement mechanisms and strategies. Furthermore, the promising applications of plasmon-free SERS substrates in biomedical diagnosis, metal ions and organic pollutants sensing, chemical and biochemical reactions monitoring, and photoelectric characterization are introduced. Finally, current challenges and future research opportunities in plasmon-free SERS substrates are briefly discussed.
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Optoelectronic characteristics and application of black phosphorus and its analogs
Ying-Ying Li, Bo Gao, Ying Han, Bing-Kun Chen, Jia-Yu Huo
Front. Phys. . 2021, 16 (4 ): 43301-.
https://doi.org/10.1007/s11467-021-1052-2
The tunable bandgap from 0.3 eV to 2 eV of black phosphorus (BP) makes it to fill the gap in graphene. When studying the properties of BP more comprehensive, scientists have discovered that many twodimensional materials, such as tellurene, antimonene, bismuthene, indium selenide and tin sulfide, have similar structures and properties to black phosphorus thus called black phosphorus analogs. In this review, we briefly introduce preparation methods of black phosphorus and its analogs, with emphasis on the method of mechanical exfoliation (ME), liquid phase exfoliation (LPE) and chemical vapor deposition (CVD). And their characterization and properties according to their classification of singleelement materials and multi-element materials are described. We focus on the performance of passively mode-locked fiber lasers using BP and its analogs as saturable absorbers (SA) and demonstrated this part through classification of working wavelength. Finally, we introduce the application of BP and its analogs, and discuss their future research prospects.
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Pairing symmetry in monolayer of orthorhombic CoSb
Tian-Zhong Yuan, Mu-Yuan Zou, Wen-Tao Jin, Xin-Yuan Wei, Xu-Guang Xu, Wei Li
Front. Phys. . 2021, 16 (4 ): 43500-.
https://doi.org/10.1007/s11467-020-1040-y
Ferromagnetism and superconductivity are generally considered to be antagonistic phenomena in condensed matter physics. Here, we theoretically study the interplay between the ferromagnetic and superconducting orders in a recent discovered monolayered CoSb superconductor with an orthorhombic symmetry and net magnetization, and demonstrate the pairing symmetry of CoSb as a candidate of non-unitary superconductor with time-reversal symmetry breaking. By performing the group theory analysis and the first-principles calculations, the superconducting order parameter is suggested to be a triplet pairing with the irreducible representation of 3 B 2 u , which displays intriguing nodal points and non-zero periodic modulation of Cooper pair spin polarization on the Fermi surface topologies. These findings not only provide a significant theoretical insight into the coexistence of superconductivity and ferromagnetism, but also reveal the exotic spin polarized Cooper pairing driven by ferromagnetic spin fluctuations in a triplet superconductor.
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Tuning the magnetic and electronic properties of strontium titanate by carbon doping
Hui Zeng, Meng Wu, Hui-Qiong Wang, Jin-Cheng Zheng, Junyong Kang
Front. Phys. . 2021, 16 (4 ): 43501-.
https://doi.org/10.1007/s11467-020-1034-9
The magnetic and electronic properties of strontium titanate with different carbon dopant configurations are explored using first-principles calculations with a generalized gradient approximation (GGA) and the GGA+U approach. Our results show that the structural stability, electronic properties and magnetic properties of C-doped SrTiO3 strongly depend on the distance between carbon dopants. In both GGA and GGA+U calculations, the doping structure is mostly stable with a nonmagnetic feature when the carbon dopants are nearest neighbors, which can be ascribed to the formation of a C–C dimer pair accompanied by stronger C–C and weaker C–Ti hybridizations as the C–C distance becomes smaller. As the C–C distance increases, C-doped SrTiO3 changes from an n-type nonmagnetic metal to ferromagnetic/antiferromagnetic half-metal and to an antiferromagnetic/ferromagnetic semiconductor in GGA calculations, while it changes from a nonmagnetic semiconductor to ferromagnetic half-metal and to an antiferromagnetic semiconductor using the GGA+U method. Our work demonstrates the possibility of tailoring the magnetic and electronic properties of C-doped SrTiO3 , which might provide some guidance to extend the applications of strontium titanate as a magnetic or optoelectronic material.
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An analytical solution for quantum scattering through a P T -symmetric delta potential
Ying-Tao Zhang, Shan Jiang, Qingming Li, Qing-Feng Sun
Front. Phys. . 2021, 16 (4 ): 43503-.
https://doi.org/10.1007/s11467-021-1061-1
We employ the Lippmann–Schwinger formalism to derive the analytical solutions of the transmission and reflection coefficients through a one-dimensional open quantum system, in which particle loss or gain on one lattice site located at x = 0, or particle loss and gain on the lattice sites located at x = ± L 2 are considered respectively. The gain and loss on the lattice site are modeled by the delta potential with positive and negative imaginary values. The analytical solution reveals the underlying physics that the sum of the transmission and reflection coefficients through an open quantum system (even a P T -symmetric open system) may not be 1, i.e., qualitatively explains that the number of particles is not conserved in an open quantum system. Furthermore, we find that the resonance states can be formed in the P T -symmetric delta potential, which is similar to the case of real delta potential. The results of our analysis can be treated as the starting point of studying quantum transport problems through a non-Hermitian system using Green’s function method, and more general cases for high-dimensional systems may be deduced by the same procedure.
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15 articles