Article
Materials Science, Multidisciplinary
Mohsen Sabbaghi, Tobias Stauber, Hyun-Woo Lee, J. Sebastian Gomez-Diaz, George W. Hanson
Summary: This work investigates the in-plane optical phonon modes of current-carrying single-layer graphene and identifies the effects of DC current on the frequency shifts and the breaking of rotational symmetry.
Article
Optics
Linxuan Li, Siqi Zhu, Lu Cheng, Hongsheng Qi, Yu Fan, Wei Zheng
Summary: Raman and infrared reflectance spectroscopy were used to study GaN single crystals with different doping types and carrier concentrations. The characteristic spectra related to the carrier concentration were observed and fitted to obtain the accurate carrier concentration of the GaN crystals, which agreed well with the results from Hall measurement.
JOURNAL OF LUMINESCENCE
(2022)
Article
Chemistry, Physical
Neha Bura, Ankit Bhoriya, Deepa Yadav, Jasveer Singh, Nita Dilawar Sharma
Summary: The evolution of vibrational properties of nanocrystalline cubic-phase thulium sesquioxide using Raman scattering was investigated in the temperature range of 80-440 K, revealing a red shift in phonon modes with increasing temperature. Anharmonic parameters were estimated and the dominance of explicit anharmonicity over implicit anharmonicity was observed, determined by the line width of the peak with varying temperature.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Multidisciplinary Sciences
Ning Li, Ruochen Shi, Yifei Li, Ruishi Qi, Fachen Liu, Xiaowen Zhang, Zhetong Liu, Yuehui Li, Xiangdong Guo, Kaihui Liu, Ying Jiang, Xin-Zheng Li, Ji Chen, Lei Liu, En-Ge Wang, Peng Gao
Summary: This study reveals the phonon behavior at the isotope heterostructure with sub-unit-cell resolution using electron energy-loss spectroscopy. The phonon energy changes gradually across the interface, featuring a wide transition regime. The study provides new insights into the isotopic effects in natural materials.
NATURE COMMUNICATIONS
(2023)
Article
Physics, Applied
Q. Guo, H. P. Zhang, Z. Lu, H. Y. Bai, P. Wen, W. H. Wang
Summary: The boson peak, once thought to be exclusive to structural glasses, has also been found in crystalline materials, leading to a paradox in condensed matter physics. This study reveals that the boson peak is a ubiquitous characteristic of all solids and originates from mode damping.
APPLIED PHYSICS LETTERS
(2022)
Article
Materials Science, Multidisciplinary
Kevin S. Olsson, Jeongheon Choe, Martin Rodriguez-Vega, Guru Khalsa, Nicole A. Benedek, Jiaming He, Bin Fang, Jianshi Zhou, Gregory A. Fiete, Xiaoqin Li
Summary: This study investigates the spin-phonon interaction mechanism in a YIG crystal through temperature-dependent and polarization-resolved Raman measurements. The researchers classified the phonon modes in the magnetite and quantified the spin-phonon interaction using a modified mean-field theory. The results show a positive correlation between the spin-phonon interaction strength and the phonon frequency in YIG.
Article
Thermodynamics
Liu Cui, Gaosheng Wei, Zhao Li, Xiaoze Du
Summary: Research shows that in graphene nanomesh, phenomena such as bandgaps induced by Brillouin zone folding, phonon localization, and phonon confinement significantly reduce thermal conductivity.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2021)
Review
Quantum Science & Technology
Yuan-Fei Gao, Jia-Min Lai, Jun Zhang
Summary: Long-lived phonons within crystalline bulk acoustic wave (BAW) resonators have shown potential as carriers of information for scientific and technological applications. By utilizing phase-matched Brillouin interactions, efficient optical access to GHz frequency mechanical modes within macroscopic crystalline solids can be achieved. The review also discusses the future research direction for bulk optomechanical systems and exciton-phonon coupling systems.
ADVANCED QUANTUM TECHNOLOGIES
(2022)
Article
Physics, Applied
Lu Cheng, Yanlin Wu, Wenbin Zhong, Duanyang Chen, Hongji Qi, Wei Zheng
Summary: This study investigates the photophysical properties of differently doped β-Ga2O3 crystals, including absorption and reflection. The results show a strong interaction between light and excitons in the material. This work provides valuable insights into the spectral physical characteristics of β-Ga2O3.
JOURNAL OF APPLIED PHYSICS
(2022)
Article
Materials Science, Multidisciplinary
Fares Kanouni, Farouk Laidoudi, Fahima Arab
Summary: This study investigates the phononic behaviors of scandium-doped aluminum nitride (Sc-AlN) using first-principles density functional theory (DFT). The results show that Sc doping significantly affects the phononic properties of AlN, including the formation of defect states within the phononic band gap and changes in the group velocities of phonon modes. Sc doping also affects the Raman spectrum of AlN, inducing new vibrational modes. These findings emphasize the importance of understanding the effects of dopants on the phononic properties of AlScN and have implications for the design and optimization of AlScN-based devices for acoustic wave applications.
MATERIALS TODAY COMMUNICATIONS
(2023)
Article
Spectroscopy
Deepa Sharma, Swastika Banerjee, Swapan K. Pati, Neena Jaggi
Summary: The study utilized density functional theory to simulate the effect of conjugation on vibrational modes in an inhomogeneous dimer formed by different chiralities of carbon nanotubes, showing a red shift and indicating structural stability. Various vibrational modes in different frequency regions were discussed.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2021)
Article
Multidisciplinary Sciences
Ruishi Qi, Ning Li, Jinlong Du, Ruochen Shi, Yang Huang, Xiaoxia Yang, Lei Liu, Zhi Xu, Qing Dai, Dapeng Yu, Peng Gao
Summary: Mapping local phonon dispersion in individual nanostructures reveals their thermal, optical, and mechanical properties but requires high detection sensitivity.
NATURE COMMUNICATIONS
(2021)
Article
Chemistry, Physical
Meenu Sharma, Sonam Rani, Devesh K. Pathak, Ravi Bhatia, Rajesh Kumar, I Sameera
Summary: A temperature dependent Raman spectromicroscopic study was conducted on multiwall carbon nanotubes to investigate anharmonic effects, revealing non-linear shifts in the peak position of Raman D- and G-bands with temperature. Phonon softening and hardening of Raman modes were observed over a wide temperature range, with the G-peak shift explained by anharmonic properties of the graphite lattice. The width variation of the G-peak appeared to be nearly independent of temperature due to competing effects from electron-phonon coupling and anharmonic contributions.
Article
Chemistry, Physical
Natalya A. A. Zimbovskaya, Abraham Nitzan
Summary: In this study, the effect of chain configuration on phonon heat transport in a single polymer chain is analyzed theoretically based on recent molecular dynamic simulations. It is found that when the chain is strongly compressed and tangled, multiple random bends act as scattering centers for vibrational phonon modes, resulting in diffusive heat transport. As the chain straightens up, the number of scatterers decreases and the heat transport becomes more ballistic. A model of a long atomic chain is introduced to simulate the changes in chain configuration, and the phonon thermal conductance exhibits a threshold-like transition from diffusive to ballistic transport as the scatterers are gradually removed.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Materials Science, Multidisciplinary
Beatriz Martin-Garcia, Davide Spirito, Miao-Ling Lin, Yu-Chen Leng, Sergey Artyukhin, Ping-Heng Tan, Roman Krahne
Summary: This study investigates the structural dynamics of layered double perovskites through Raman spectroscopy and theoretical modeling. The results show the correlation between the octahedral lattice and vibrational frequencies with material stability and electronic properties, as well as reveal changes in phonon frequencies during phase transitions and determination of transition types and temperatures.
ADVANCED OPTICAL MATERIALS
(2022)
Article
Crystallography
L. Yu Kharkhalis, K. E. Glukhov, T. Ya Babuka, M. V. Liakh
Article
Crystallography
T. Babuka, K. Glukhov, Yu. Vysochanskii, M. Makowska-Janusik
Article
Physics, Multidisciplinary
T. Babuka, O. O. Gomonnai, K. E. Glukhov, L. Yu. Kharkhalis, M. Sznajder, D. R. T. Zahn
ACTA PHYSICA POLONICA A
(2019)
Article
Physics, Applied
A. V. Peschanskii, T. Ya. Babuka, K. E. Glukhov, M. Makowska-Janusik, S. L. Gnatchenko, Yu. M. Vysochanskii
LOW TEMPERATURE PHYSICS
(2019)
Article
Materials Science, Multidisciplinary
T. Babuka, M. Makowska-Janusik, A. Peschanskii, K. E. Glukhov, S. L. Gnatchenko, Yu M. Vysochanskii
COMPUTATIONAL MATERIALS SCIENCE
(2020)
Article
Engineering, Electrical & Electronic
V Haborets, K. Glukhov, J. Banys, Yu Vysochanskii
Summary: The family of phosphorus-containing chalcogenide materials can be extended by searching for new van der Waals compounds, with potential new properties predicted through DFT calculations. Substitution of elements and changes in the lattice structure have been shown to impact the electronic and phonon spectra of these compounds.
INTEGRATED FERROELECTRICS
(2021)
Article
Engineering, Electrical & Electronic
T. Babuka, O. O. Gomonnai, K. E. Glukhov, L. Yu Kharkhalis, A. Gomonnai, M. Makowska-Janusik
Summary: In this study, electronic and optical properties of the TlIn(S0.75Se0.25)(2) ferroelectric crystal were investigated using density functional theory. Four cases of sulfur atoms substitution by selenium were considered. Theoretical calculations on dielectric function, refractive index, and absorption coefficients were compared to experimental results for the first time based on band structure calculations.
INTEGRATED FERROELECTRICS
(2021)
Article
Physics, Applied
T. Babuka, O. O. Gomonnai, K. E. Glukhov, L. Yu. Kharkhalis, A. V. Gomonnai, M. Makowska-Janusik
Summary: The elastic and vibrational properties of TIInS2 and TlIn(S0.75Se0.25)(2) crystals were calculated using the DFT/PBE method with dispersion correction. The results are in good agreement with experimental data. Phonon energy anomalies in the TlIn(S0.75Se0.25)(2) crystal were also explained.
LOW TEMPERATURE PHYSICS
(2022)
Article
Chemistry, Multidisciplinary
A. Kohutych, V Liubachko, V Hryts, Yu Shiposh, M. Kundria, M. Medulych, K. Glukhov, R. Yevych, Yu Vysochanskii
Summary: The temperature dependence of longitudinal hypersound velocity in CuInP2S6 ferrielectrics was investigated using Brillouin spectroscopy. It was found that the acoustic phonon branch exhibits pronounced softening in the paraelectric phase below T* (approximately 330K) and cooling to the first order phase transition temperature T-c (approximately 312K) into the ferrielectric phase. The softening is induced by the flexoelectric coupling of relaxational soft polar optical and acoustic branches, which is related to an inhomogeneously polarized state appearing between the paraelectric and ferrielectric phases. The anomalous thermal conductivity of the CuInP2S6 crystal near the ferrielectric transition also demonstrates a decrease in the group velocity of heat transferring phonons with cooling from T* to T-c.
MOLECULAR CRYSTALS AND LIQUID CRYSTALS
(2022)
Article
Physics, Condensed Matter
O. O. Bokotey, T. V. Vu
Summary: We present new DFT study results of electronic and optical properties for Hg3S2Br2, which is a direct band gap semiconductor with Eg = 2.72 eV. The optical anisotropy of Hg3S2Br2 is determined, and the contribution of different states to the band structure is analyzed. The monoclinic structure causes considerable anisotropy of optical spectra at lower energies but decreases at higher energies. These findings may be utilized in the development of devices based on Hg3S2Br2 crystals.
COMPUTATIONAL CONDENSED MATTER
(2023)
Article
Physics, Condensed Matter
V. Pashchenko, O. Bludov, D. Baltrunas, K. Mazeika, S. Motria, K. Glukhov, Yu. Vysochanskii
Summary: The experimental studies of the paramagnetic-antiferromagnetic phase transition in the layered Cu0.15Fe0.85PS3 crystal are presented, utilizing Mossbauer spectroscopy and measurements of temperature and field dependencies of magnetic susceptibility. The observed peculiar behavior at low temperatures indicates weak ferromagnetism in the studied alloy. Ab initio simulations of the electronic and spin subsystems reveal the peculiarities of spin ordering at low temperatures and changes in interatomic interactions near the Cu substitutional atoms.
CONDENSED MATTER PHYSICS
(2022)
Article
Materials Science, Multidisciplinary
T. T. Dang, J. Schell, A. G. Boa, D. Lewin, G. Marschick, A. Dubey, M. Escobar-Castillo, C. Noll, R. Beck, Dmitry Zyabkin, K. Glukhov, I. C. J. Yap, A. Mokhles Gerami, D. C. Lupascu
Summary: This study investigates the temperature-dependent characteristics of electromagnetic fields at the atomic scale in multiferroic bismuth ferrite (BFO) using time differential perturbed angular correlation (TDPAC) spectroscopy. The results show that the substitutional In-111 probe experiences local electric polarization and exhibits combined electric and magnetic interactions below the Neel temperature (T-N).
Article
Physics, Multidisciplinary
O. V. Bokotey, Tuan V. Vu, Dat D. Vo, O. O. Bokotey, A. G. Slivka
Summary: The optical spectra of gyrotropic alpha-Hg(3)S(2)Cl(2) polymorph were calculated for the first time, with a focus on the band structure near the Fermi level. The sulfur and chlorine p states contribute mainly to the top of the valence band, while the S/p and Hg/s states dominate the bottom of the conduction band. Additionally, the direct optical band gap was found to be 3.19 eV at specific points in the Brillouin zone, showing good agreement with experimental reports.
INDIAN JOURNAL OF PHYSICS
(2021)
Article
Chemistry, Multidisciplinary
T. Babuka, K. Glukhov, A. Kohutych, Yu Vysochanskii, M. Makowska-Janusik
Article
Materials Science, Multidisciplinary
D. I. Bletskan, K. E. Glukhov, V. M. Kabatsii
JOURNAL OF OPTOELECTRONICS AND ADVANCED MATERIALS
(2019)
Article
Chemistry, Physical
J. Zamora, T. Bautista, N. S. Portillo-Velez, A. Reyes-Montero, H. Pfeiffer, F. Sanchez-Ochoa, H. A. Lara-Garcia
Summary: Experimental and DFT studies were conducted on the structural, magnetic, and optical properties of RFeO3 perovskites. The perovskites exhibited an orthorhombic crystal structure and weak ferromagnetic behavior. They were confirmed to be semiconductors with a bandgap of approximately 2.1 eV.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Xianxiang Lv, Jing Jin, Weiguang Yang
Summary: By depositing TiN and TiO2 surface layers on AlSi films, the electrochemical performance of silicon-based anodes can be significantly improved, suppressing volume expansion and promoting the formation of a stable SEI layer.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Sharafat Ali, Haider Ali, Syedul Hasnain Bakhtiar, Sajjad Ali, Muhammad Zahid, Ahmed Ismail, Pir Muhammad Ismail, Amir Zada, Imran Khan, Huahai Shen, Rizwan Ullah, Habib Khan, Mohamed Bououdina, Xiaoqiang Wu, Fazal Raziq, Liang Qiao
Summary: The construction and optimization of redox-heterojunctions using a bifunctional phosphate as an electron-bridge demonstrated significant improvements in photo catalytic activity, including enhanced dispersion, reduced interfacial migration resistance, and increased abundance of active-sites.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Ren-Ni Luan, Na Xu, Chao-Ran Li, Zhi-Jie Zhang, Yu-Sheng Zhang, Jun Nan, Shu-Tao Wang, Yong-Ming Chai, Bin Dong
Summary: Extensive research has revealed that oxygen evolution reaction (OER) in alkaline conditions involves dynamic surface restructuring. The development and design of sulfide/oxide pre-catalysts can reasonably adjust the composition and structure after surface reconstruction, which is crucial for OER. This study utilized a simple two-step hydrothermal method to achieve in situ S leaching and doping, inducing the composition change and structure reconstruction of CoFe oxides. The transformed FeOOH and CoOOH exhibited excellent OER activity and could be easily mass-produced using low-cost iron based materials and simple methods.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Jun'an Lai, Daofu Wu, Peng He, Kang An, Yijia Wang, Peng Feng, WeiWei Chen, Zixian Wang, Linfeng Guo, Xiaosheng Tang
Summary: Zero-dimensional organic-inorganic metal halides (OMHs) are gaining attention in the fabrication of light-emitting diodes due to their broad emission band and high photoluminescence quantum yield. This work synthesized a zero-dimensional organic tetraphenylphosphonium bismuth chloride (TBC) that showed efficient blue light emission, with the emission mechanism attributed to the transition of Bi3+ ions. White light-emitting diodes (WLEDs) were fabricated using TBC, along with green-emitting and red-emitting single crystals, achieving single-component white emissions. These findings demonstrate the different emission mechanism of ns2 ions-based OMHs and highlight the potential of bismuth-based OMHs in WLEDs applications.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Xuewei Liang, Yunhai Su, Taisen Yang, Zhiyong Dai, Yingdi Wang, Xingping Yong
Summary: The revolutionary design concept of high-entropy alloys has brought new opportunities and challenges to the development of advanced metal materials. In this work, AlCrCuFe2NiTix high-entropy flux cored wires were prepared by combining the design idea of a high-entropy alloy with the characteristics of flux cored wire. AlCr-CuFe2NiTix high-entropy surfacing alloys were prepared using gas metal arc welding technology. The wear properties of the alloys were analyzed, and the phase composition, microstructure, strengthening mechanism, and wear mechanism were discussed. The results show that the alloys exhibit a dendritic microstructure with BCC/B2 + FCC phases. Increasing Ti content leads to the precipitation of Laves phase. The alloys show improved microhardness and wear resistance due to the precipitation of coherent B2 and Laves phases. However, excessive Ti addition results in the increase of Laves phase and reduced wear resistance of the alloys.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
M. Vadivel, M. Senthil Pandian, P. Ramasamy, Qiang Jing, Bo Liu
Summary: This work presents the enhanced photocatalytic and electrochemical performance of g-C3N4 assisted PAA on CoFe2O4 ternary nanocomposites. The incorporation of PAA and g-C3N4 improves the separation efficiency of photogenerated charge carriers, resulting in superior photocatalytic degradation and high specific capacitance values.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Vibhu T. Sivanandan, Ramany Revathy, Arun S. Prasad
Summary: In this study, pure and doped cobalt ferrite nanoparticles were prepared using the sol-gel auto-combustion method with the aid of lemon juice as eco-fuel. The crystal structure, lattice parameter, crystallite size, microstrain, optical parameters, and room temperature magnetic properties of the samples were analyzed. The effect of doping on the magnetic properties was also investigated.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Qing Guo, Bowen Zhang, Benzhe Sun, Yang Qi
Summary: This study prepared ZnO films with various nonpolar preferred orientations using conventional chemical bath deposition method and characterized their growth process and mechanism. It was found that the type and concentration of nitrate could control the preferred orientation and surface roughness of ZnO films. Additionally, ZnO films with different preferred orientations exhibited different optical properties.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Chong Zhang, Yan Liu, Zhaoyan Wang, Hang Yang
Summary: In this study, six bimetallic FeCo particles were synthesized via the hydrothermal method at different Fe:Co ratios. The Fe:Co ratio not only modulates the composition of the particles but also influences their structure and magnetic properties. The FeCo alloys showed a transformation from an Fe-based structure to a Co-based structure with increasing Co content. The Fe:Co ratio of 1:1 and 3:1 resulted in particles with the highest and lowest saturation magnetization, respectively.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Jianning Zhang, Jing Li, Yiren Wang, Xiaodong Mao, Yong Jiang
Summary: We conducted a study on the formation of ultra-fine Y-Ti-Ta-O nano-oxides in Ta+B micro-alloyed 13CrWTi-ODS alloys using electron microscopy and first-principles calculations. The Y-Ti-Ta-O nano-oxides were found to be mainly Y2(Ti,Ta)2O7, with an average size of 7 nm and a number density of 6.8 x 1023 m-3. Excess boron was found to enhance the adhesion of some low-sigma grain boundaries but weaken the Fe/Y2Ti2O7 interface, while excess tantalum enhanced the Fe/Y2Ti2O7 interface but caused serious degradation of grain boundaries.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Yirong Fang, Pei Cheng, Hang Yuan, Hao Zhao, Lishu Zhang
Summary: A new composite system of nitrogen-doped reduced graphene oxide and black phosphorus quantum dots has been developed for tumor therapy, showing improved electrochemical properties and stability. The system generates hydrogen peroxide and hydroxyl radical to effectively kill tumor cells.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Xiufang Qin, Yuanli Ma, Hui Zhang, Ting Zhang, Fang Wang, Xiaohong Xu
Summary: The structure and magnetism of cobalt ferrites after Mn2+-Tb3+ co-doping were studied. Co-doped samples exhibited cubic spinel structure and spherical shape of ferrite nanoparticles. The redistribution of Co2+ and Fe3+ ions between octahedral and tetrahedral sites was observed due to Mn2+-Tb3+ co-doping. The coercivity and magnetization saturation of co-doped samples were significantly improved, leading to a maximum energy product that is 190% higher than that of the un-doped sample.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Ho Yeon Lee, Wonjong Yu, Yoon Ho Lee
Summary: Recently, there has been an increasing interest in developing ultra-fine nanostructured electrodes with extensive reaction areas to enhance the performance and low-temperature operation of solid oxide fuel cells. The use of a refined approach involving co-sputtering metal alloys and oxide targets has demonstrated the feasibility of nano-columnar structures in perovskite-based electrodes, expanding the temperature range of thin film electrodes. This study systematically examines the effects of chamber pressure control in the co-sputtering process and identifies the intricate relationship between sputtering pressure and film structure. By fine-tuning the columnar growth in the electrode, significant improvements in performance and thermo-mechanical properties were achieved, resulting in high-performance all-sputtered solid oxide fuel cells.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Qianyun Bai, Xiaoxiao Yan, Da Liu, Kang Xiang, Xin Tu, Yanhui Guo, Renbing Wu
Summary: This study proposes a simple method to develop a non-precious transition metal-based electrocatalyst with high catalytic activity and robustness for the hydrogen evolution reaction. The as-synthesized electrode exhibits a low overpotential and high current density, indicating its potential in energy conversion.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)