Article
Materials Science, Multidisciplinary
Govindaraj Lingannan, Anupam K. Singh, Boby Joseph, Sanjay Singh, Sonachalam Arumugam
Summary: A systematic synchrotron high-pressure X-ray powder diffraction study of Mn3Sn up to 9 GPa reveals that the crystal symmetry remains in the hexagonal P6(3)/mmc space group with a continuous reduction of lattice parameters. Analysis suggests that the magnetic ground state of the Mn3Sn system may change above 4 GPa due to variations in local atomic interactions.
PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS
(2021)
Article
Materials Science, Multidisciplinary
Bo Li, Shufeng Li, Kaiyuan Shi, Xin Zhang, Shenghui Yang, Deng Pan, Lei Liu, Yanli Nan, Xiang Zhu, Xiaolong Song, Lei Su, Guoqiang Yang
Summary: This study investigates the structural properties of SWNT bundles under different dynamic pressures, including phase transition, recovery dynamics, and energy dissipation mechanisms. The results show that the structural behaviors of SWNTs under dynamic pressure differ from those under static pressure, and they exhibit high structural stability.
Article
Chemistry, Physical
Surinder Singh, Anumeet Kaur, Parwinder Kaur, Lakhwant Singh
Summary: LaFeO3 modified Sodium Bismuth Titanate (NBT) with varying LaFeO3 content were successfully synthesized via sol-gel method. The XRD and Raman spectra confirmed the phase purity and microstructure of the samples. Ferroelectric behavior decreased with doping, with some samples showing paramagnetic or weak ferromagnetic characteristics. The absence of magnetic ordering was confirmed in certain samples through ZFC and FC magnetization curves.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Geochemistry & Geophysics
Xinyu Zhang, Lidong Dai, Haiying Hu, Chuang Li
Summary: In situ Raman scattering and electrical conductivity experiments were conducted to investigate the structural phase transitions of calcite under high pressures. The results showed that calcite underwent multiple phase transitions during compression and decompression, which were evidenced by the changes in Raman peaks and electrical conductivity. The phase transitions were found to be reversible, except for the CaCO3-VI to CaCO3-III transition which exhibited a pressure hysteresis. The temperature-pressure relation of the CaCO3-III to CaCO3-VI transition was also determined. The obtained phase diagram provides insights into the high-pressure behavior of carbonate minerals.
Article
Instruments & Instrumentation
S. I. Ninenko, V. V. Brazhkin
Summary: An experimental setup with a large working volume has been developed to investigate the optical properties of gases, liquids, and solutions at a wide range of temperatures and high hydrostatic pressures. The setup allows for accurate control of experimental parameters and can be operated for several hours. The main focus of the experiments is to study the Raman radiation in supercritical fluids of molecular substances.
REVIEW OF SCIENTIFIC INSTRUMENTS
(2022)
Article
Materials Science, Multidisciplinary
Baptiste Vindolet, Marie -Pierre Adam, Loic Toraille, Mayeul Chipaux, Antoine Hilberer, Geraud Dupuy, Lukas Razinkovas, Audrius Alkauskas, Gergo Thiering, Adam Gali, Mary De Feudis, Midrel Wilfried Ngandeu Ngambou, Jocelyn Achard, Alexandre Tallaire, Martin Schmidt, Christoph Becher, Jean-Francois Roch
Summary: In this study, we investigate the optical properties of silicon-vacancy (SiV) and germanium-vacancy (GeV) color centers in nanodiamonds under high pressures. We observe blueshifts in their spectra, and these shifts are in good agreement with ab initio calculations considering the lattice compression. This research provides guidance for using group-IV-vacancy centers as quantum sensors with specific optical and spin properties under extreme pressures.
Article
Chemistry, Physical
Lucia Amy, Sofia Favre, Daniel L. Gau, Ricardo Faccio
Summary: The experimental work investigated the structural, morphological, and electronic properties of sodium based titanate nanostructures (NaTNT) synthesized hydrothermally, and found a clear relationship between synthesis conditions and observed characteristics. Varying synthesis temperature and time influenced the morphology and electrical properties of NaTNT, with different synthesis conditions impacting the optical response. The study revealed a two-transport mechanism in most samples, while samples with specific morphology showed an additional process, highlighting the importance of synthesis conditions in tuning the electrical and optical responses of NaTNT for energy storage and photoelectrode applications.
APPLIED SURFACE SCIENCE
(2021)
Article
Chemistry, Physical
Demetrio Scelta, Matteo Ceppatelli, Roberto Bini, Anna Pakhomova, Gaston Garbarino, Mohamed Mezouar, Mario Santoro
Summary: Experimental investigations were conducted on the high temperature transformation of amorphous polymeric carbon monoxide (pCO) in the pressure range of 47-120 GPa. The results showed that the decomposition of a-pCO into CO2 and likely a mixture of amorphous CxOy suboxides and amorphous carbon occurred, supporting the theoretical understanding. It was also found that the decomposition was strongly pressure-dependent with a steep pressure-temperature kinetic barrier.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Geochemistry & Geophysics
Tomonori Ohashi, Tatsuya Sakamaki, Ken-ichi Funakoshi, Takanori Hattori, Naoki Hisano, Jun Abe, Akio Suzuki
Summary: The structures of cold-compressed basaltic glass were investigated at high pressures, revealing the compression behavior and oxygen packing mechanism. Furthermore, it was found that modified silicate glasses show different compression behaviors compared to silica glasses.
AMERICAN MINERALOGIST
(2022)
Article
Spectroscopy
C. A. A. S. Santos, R. J. C. Lima, W. Paraguassu, J. G. da Silva Filho, A. O. dos Santos, J. A. Lima Jr, P. T. C. Freire, P. F. Facanha Filho
Summary: The high-pressure Raman spectra study of L-tyrosine hydrobromide crystal revealed structural and conformational phase transitions in the pressure range from 1.0 atm to 8.1 GPa, demonstrating the flexibility and changes in the molecule.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2021)
Article
Chemistry, Physical
Xiao Zhang, Yu Wang, Maxim Bykov, Elena Bykova, Stella Chariton, Vitali B. Prakapenka, Konstantin Glazyrin, Alexander F. Goncharov
Summary: Nitrogen and water react differently at extreme pressure-temperature conditions, forming clathrate compounds below 6 GPa and transforming into a fine grained state above 6 GPa. There is no sign of formation of mixed compounds and no ice doping by nitrogen observed in this study. Size effects in fine grained crystallites result in peculiar Raman spectra in the molecular regime.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Physics, Applied
Xinyu Zhang, Lidong Dai, Haiying Hu, Meiling Hong
Summary: Experiments observed a phase transition of gallium arsenide from zinc-blende to orthorhombic structure at 12.2 GPa under high pressure, with the high-pressure phase exhibiting metallic behavior. The reversibility of the phase transition upon decompression was confirmed, further verified by HRTEM and AFM images.
MODERN PHYSICS LETTERS B
(2021)
Article
Physics, Applied
Valentina Mochalova, Alexander Utkin, Dmitry Nikolaev
Summary: The shock compressibility of a carbon fiber polymer composite with different fiber orientations was studied. The orientation of the carbon fibers has a minor influence on the Hugoniot curve of the material, except at low pressures. A distinct two-phase state region was observed on the Hugoniot curve in the pressure range of 23-35 GPa, due to the graphite/diamond phase transition and the destruction of the epoxy resin.
JOURNAL OF APPLIED PHYSICS
(2023)
Article
Physics, Condensed Matter
O. I. Barkalov, M. A. Kuzovnikov, I. A. Sholin, N. S. Orlov
Summary: The phase transformations of silicon clathrate Si-136 under high hydrogen pressure were studied, revealing pressure-dependent vibrational mode frequencies that agreed with ab initio calculations. At 10 GPa, Si-136 transformed into a mixture of Si-II and Si-III phases, with no observed interaction between hydrogen and silicon during compression or decompression.
SOLID STATE COMMUNICATIONS
(2021)
Article
Chemistry, Physical
Xiaoxiao Zhang, Jun Hou, Wei Xia, Zhian Xu, Pengtao Yang, Anqi Wang, Ziyi Liu, Jie Shen, Hua Zhang, Xiaoli Dong, Yoshiya Uwatoko, Jianping Sun, Bosen Wang, Yanfeng Guo, Jinguang Cheng
Summary: RV6Sn6 is a new family of kagome metals that have a similar vanadium structural motif as AV(3)Sb(5) compounds. A high-pressure transport study on ScV6Sn6 single crystal reveals that the CDW order can be suppressed by pressure, but no superconductivity is observed.
Article
Physics, Multidisciplinary
Liang Ma, Kui Wang, Yu Xie, Xin Yang, Yingying Wang, Mi Zhou, Hanyu Liu, Xiaohui Yu, Yongsheng Zhao, Hongbo Wang, Guangtao Liu, Yanming Ma
Summary: The discovery of superconductive rare earth and actinide superhydrides has opened up a new era of high-pressure superconductivity research. The successful synthesis of CaH6 and its remarkable superconducting properties highlight the potential for further exploration and development of high-temperature superconducting materials.
PHYSICAL REVIEW LETTERS
(2022)
Article
Physics, Multidisciplinary
Pin-Wen Guan, Ying Sun, Russell J. Hemley, Hanyu Liu, Yanming Ma, Venkatasubramanian Viswanathan
Summary: Researchers evaluated the feasibility of synthesizing ternary Li-Mg superhydrides using the pressure-potential method and found that appropriate electrode potentials can stabilize Li2MgH16 and Li4MgH24 at modest pressures. Three structural forms of Li2MgH16 were observed below 300 GPa, with the highest pressure phase exhibiting superconductivity.
PHYSICAL REVIEW LETTERS
(2022)
Article
Physics, Multidisciplinary
Wencheng Lu, Siyu Liu, Guangtao Liu, Kun Hao, Mi Zhou, Pengyue Gao, Hongbo Wang, Jian Lv, Huiyang Gou, Guochun Yang, Yanchao Wang, Yanming Ma
Summary: Under high-pressure and high-temperature conditions, sulfur dioxide (SO2) undergoes an unexpected disproportionation into elemental sulfur and sulfur trioxide (SO3). The crystal structure of the resultant SO3 phase has been determined through experimental and theoretical study, leading to an extension of the phase diagram of SO2. This discovery has important implications for understanding S chemistry in deep Earth and other giant planets.
PHYSICAL REVIEW LETTERS
(2022)
Article
Multidisciplinary Sciences
Qiang Xu, Cheng Ma, Wenhui Mi, Yanchao Wang, Yanming Ma
Summary: The authors present a novel protocol that allows for the application of nonlocal pseudopotentials to orbital-free density functional theory (OF-DFT). They have developed a theoretical scheme that defies the traditional belief and enables the direct use of nonlocal pseudopotentials in OF-DFT.
NATURE COMMUNICATIONS
(2022)
Article
Chemistry, Multidisciplinary
Liupeng Zhao, Xueqin Gong, Wei Tao, Tianshuang Wang, Peng Sun, Fangmeng Liu, Xishuang Liang, Fengmin Liu, Yanchao Wang, Geyu Lu
Summary: This study proposes a sensing model based on previous experimental and theoretical results to explore the mechanism of the effect of oxygen partial pressure on sensor signals. The main oxygen species is found to be O2, and a functional relationship between surface electron concentration, oxygen partial pressure, and reducing gas concentration is established based on the band bending of SnO2 and different oxygen partial pressures. The results of this study provide guidance for accurate gas detection under varying oxygen partial pressure.
Article
Physics, Applied
Baoyin Xu, Haozhe Du, Bin Yang, Zhanhui Ding, Xiancheng Wang, Yanchao Wang, Ziheng Li, Yongfeng Li, Bin Yao, Hong-An Ma, Yucheng Lan
Summary: The exploration of novel ultrawide bandgap (UWBG) semiconductors is an important research focus, with B-C-N compounds attracting attention due to their unique electronic structure and semiconductor properties. However, the lack of high-quality crystals has limited their potential as UWBG devices. In this study, B-C-N compounds were synthesized from graphite and hexagonal boron nitride, resulting in layered materials with intercalated graphene layers. The measured optical bandgaps and electronic properties of these compounds can be regulated by the carbon content.
APPLIED PHYSICS LETTERS
(2023)
Article
Multidisciplinary Sciences
Kui Wang, Chang Liu, Guangtao Liu, Xiaohui Yu, Mi Zhou, Hongbo Wang, Changfeng Chen, Yanming Ma
Summary: The article presents experimental evidence for a three-dimensional anomalous metallic state (AMS) in compressed titanium metal, which exhibits unique transport properties. This discovery provides an important platform for further understanding of AMS and its transport behaviors.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2023)
Article
Multidisciplinary Sciences
Xiaoyang Wang, Zhenyu Wang, Pengyue Gao, Chengqian Zhang, Jian Lv, Han Wang, Haifeng Liu, Yanchao Wang, Yanming Ma
Summary: This study reported an extensive exploration of the energy landscape of lithium (Li) using an advanced crystal structure search method and a machine learning approach. Four complex Li crystal structures containing up to 192 atoms in the unit cell were predicted, and they were found to be energetically competitive with known Li structures. These findings offer a viable solution to the yet unidentified crystalline phases of Li and demonstrate the predictive power of the global structure search method in conjunction with accurate machine learning potentials for discovering complex crystal structures.
NATURE COMMUNICATIONS
(2023)
Article
Materials Science, Multidisciplinary
Xin-Ling He, Peiyu Zhang, Yuan Ma, Hefei Li, Xin Zhong, Yanchao Wang, Hanyu Liu, Yanming Ma
Summary: Researchers predict a ternary hydride, YSrH22, by introducing an additional metal element into the binary hydride. The H electron density of states at the Fermi level in YSrH22 is significantly enhanced compared to the parent hydride, which could lead to higher superconductivity.
Article
Materials Science, Multidisciplinary
Xinran Liu, Hong Jian Zhao, Laurent Bellaiche, Yanming Ma
Summary: This article demonstrates the occurrence of sizable Zeeman spin splittings with persistent spin textures in antiferromagnetic semiconductors. By symmetry analysis, the magnetic point groups that can exhibit this effect are identified, providing theoretical guidelines for screening suitable antiferromagnetic materials. First-principles calculations confirm CaTcO3 as an antiferromagnetic semiconductor showcasing sizable Zeeman spin splittings that may be controllable by a magnetic field and accompanied by persistent spin textures.
Article
Materials Science, Multidisciplinary
Guangyang Dai, Yating Jia, Bo Gao, Yi Peng, Jianfa Zhao, Yanming Ma, Changfeng Chen, Jinlong Zhu, Quan Li, Runze Yu, Changqing Jin
Summary: Recently, the hourglass-shaped dispersion of topological insulators (TIs) KHgX (X = As, Sb, Bi) has aroused great interest. These materials, unlike previously tested TIs protected by time-reversal or mirror crystal symmetries, were proposed as the first class of materials whose band topology depends on nonsymmorphic symmetries. As a result, KHgX exhibits many exotic properties, such as hourglass-shaped electronic channels and three-dimensional doubled quantum spin Hall effects. However, there have been minimal high-pressure experimental studies on these nonsymmorphic TIs. In this study, we conducted high-pressure electrical measurements up to 55 GPa, as well as high-pressure X-ray diffraction measurements and high-pressure structure prediction on KHgAs. We observed a pressure-induced semiconductor-metal transition between approximately 16 and 20 GPa, followed by the emergence of superconductivity with a transition temperature (Tc) of around 3.5 K at approximately 21 GPa. The Tc was further enhanced to a maximum of around 6.6 K at 31.8 GPa and then gradually decreased until 55 GPa. Additionally, we observed three high-pressure phases within the range of 55 GPa and determined their crystal structures. Our findings provide insights into the high-pressure phase diagram of KHgAs and unveil the pressure-induced superconductivity in nonsymmorphic TIs, which can facilitate further research on superconductivity and topologically nontrivial features protected by nonsymmorphic symmetries.
NPG ASIA MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Linlin Liu, Yu Xie, John S. Tse, Yanming Ma
Summary: Based on first-principles calculations, it is found that two-dimensional alkali metal indium phosphorus trichalcogenides possess excellent stability and great potential for solar energy conversion, especially in excitonic solar cells with high photovoltaic performance.
MATERIALS ADVANCES
(2023)
Article
Chemistry, Multidisciplinary
Xin Yang, Hanyu Liu, Zexing Qu, Yu Xie, Yanming Ma
Summary: This study investigates the electronic properties and catalytic performances of 2D transition-metal tellurides for oxygen reduction reaction (ORR) through density functional theory simulations. The results show that the activation of ORR depends on the partially filled p(z) state of active Te atoms, which can accept and donate electrons similarly to Pt atoms. The study proposes the p(z)-band center as an effective descriptor for telluride catalysts' performance and predicts promising 2D transition-metal tellurides for ORR.
Article
Materials Science, Multidisciplinary
Hong Jian Zhao, Yanchao Wang, Yurong Yang, Yanming Ma, Laurent Bellaiche
Summary: This study explores how to control the Zeeman-type energy-level splitting of a two-level system in a material like calcium titanate (CaTiO3) using an electric field, aiming to achieve quantum information and quantum computation. The strategy for achieving this control is based on understanding the breakdown of specific nonsymmorphic symmetry elements by the electric field, affecting the nonspin degree of freedom of electrons in the material. Through first-principles simulations, a platform system of CaTiO3 under tensile strain is proposed as a candidate for achieving a large Zeeman-type energy-level splitting controllable by the electric field.
Article
Materials Science, Multidisciplinary
Tianchun Wang, Jose A. Flores-Livas, Takuya Nomoto, Yanming Ma, Takashi Koretsune, Ryotaro Arita
Summary: This study provides a promising approach for optimizing superconductors through doping, and identifies Ca as the best dopant for LaH10, enhancing its electronic structure and increasing the critical temperature.
