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View article: High-Tc superconductivity above 130 K in cubic MH4 compounds at ambient pressure
High-Tc superconductivity above 130 K in cubic MH4 compounds at ambient pressure Open
Xinxin Li, Wen Xu, Zizhen Zhou, Jingming Shi, Hanyu Liu , et al. · 2025
Hydrides have long been considered promising candidates for achieving room-temperature superconductivity; however, the extremely high pressures typically required for high critical temperatures remain a major challenge in experiment. Here,…
View article: Emergence of superconductivity and superionicity in the electride <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si76.svg" display="inline" id="d1e576"> <mml:msub> <mml:mrow> <mml:mi mathvariant="normal">Li</mml:mi> </mml:mrow> <mml:mrow> <mml:mn>6</mml:mn> </mml:mrow> </mml:msub> </mml:math> La under extreme conditions
Emergence of superconductivity and superionicity in the electride La under extreme conditions Open
Wen Xu, Qinfang Wang, Qing‐Xin Zeng, Xue Li, Jingming Shi , et al. · 2024
Superconducting electrides, a unique type of conventional superconductors, have recently attracted considerable attention. Inspired by the discovery of high critical temperature (Tc) in lanthanum hydrides and the feasibility of forming ele…
View article: Prediction of high-<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>T</mml:mi><mml:mi>c</mml:mi></mml:msub></mml:math> superconductivity under submegabar pressure in ternary actinium borohydrides
Prediction of high- superconductivity under submegabar pressure in ternary actinium borohydrides Open
Tingting Gu, Wenwen Cui, Jian Hao, Jingming Shi, A.P. Durajski , et al. · 2024
Ternary hydrides are considered as the ideal candidates with high critical temperature (Tc) stabilized at submegabar pressure, evidenced by the recent discoveries in LaBeH8 (110 K at 80 GPa) and LaB2H8 (106 K at 90 GPa). Here, we investiga…
View article: Layer Control of Magneto-Optical Effects and Their Quantization in Spin-Valley Splitting Antiferromagnets
Layer Control of Magneto-Optical Effects and Their Quantization in Spin-Valley Splitting Antiferromagnets Open
Jiaqi Feng, Xiaodong Zhou, Meiling Xu, Jingming Shi, Yinwei Li · 2024
Magneto-optical effects (MOE), interfacing the fundamental interplay between magnetism and light, have served as a powerful probe for magnetic order, band topology, and valley index. Here, based on multiferroic and topological bilayer anti…
View article: Prediction of high-<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>T</mml:mi><mml:mi>c</mml:mi></mml:msub></mml:math> superconductivity in ternary actinium beryllium hydrides at low pressure
Prediction of high- superconductivity in ternary actinium beryllium hydrides at low pressure Open
Kun Gao, Wenwen Cui, Jingming Shi, A.P. Durajski, Jian Hao , et al. · 2024
Hydrogen-rich superconductors are promising candidates to achieve room-temperature superconductivity. However, the extreme pressures needed to stabilize these structures significantly limit their practical applications. An effective strate…
View article: Existence of solid Na–Xe compounds at the extreme conditions of Earth's interior
Existence of solid Na–Xe compounds at the extreme conditions of Earth's interior Open
Min Zou, Kang Yang, Pan Zhang, Wenwen Cui, Jian Hao , et al. · 2023
Previous studies have suggested that high pressure may induce chemical activity in noble gases (He and Xe), resulting in the emergence of high-pressure compounds containing these elements. By using first-principles theory and crystal struc…
View article: Design of Zeolitic Imidazolate Framework-8-Functionalized Capacitive Micromachined Ultrasound Transducer Gravimetric Sensors for Gas and Hydrocarbon Vapor Detection
Design of Zeolitic Imidazolate Framework-8-Functionalized Capacitive Micromachined Ultrasound Transducer Gravimetric Sensors for Gas and Hydrocarbon Vapor Detection Open
Mindaugas Dzikaras, Dovydas Barauskas, Donatas Pelenis, Gailius Vanagas, Marius Mikolajūnas , et al. · 2023
A capacitive micromachined ultrasound transducer (CMUT) was engineered and functionalized with zeolitic imidazolate framework-8 (ZIF-8) dispersed in a photoresist AZ1512HS (AZ) matrix to function as a gravimetric gas sensor. The sensor res…
View article: Superior carbon nanotube stability by molecular filling:a single-chirality study at extreme pressures
Superior carbon nanotube stability by molecular filling:a single-chirality study at extreme pressures Open
Colin Bousige, Aude Stolz, Silvio D. Silva-Santos, Jingming Shi, Wenwen Cui , et al. · 2021
View article: Seven-coordinated Silicon in a SiO2He Compound Formed under the Extreme Conditions of Planetary Interiors
Seven-coordinated Silicon in a SiO2He Compound Formed under the Extreme Conditions of Planetary Interiors Open
Shicong Ding, Pan Zhang, Kang Yang, Cailong Liu, Hao Jian , et al. · 2021
Changes in atomic coordination numbers at high pressures are fundamental to condensed-matter physics because they initiate the emergence of unexpected structures and phenomena. Silicon is capable of forming eight-, nine-, and ten-coordinat…
View article: Helium incorporation induced direct-gap silicides
Helium incorporation induced direct-gap silicides Open
Shicong Ding, Jingming Shi, Jiahao Xie, Wenwen Cui, Pan Zhang , et al. · 2021
The search of direct-gap Si-based semiconductors is of great interest due to the potential application in many technologically relevant fields. This work examines the incorporation of He as a possible route to form a direct band gap in Si.…
View article: Pressure-stabilized unconventional stoichiometric yttrium sulfides
Pressure-stabilized unconventional stoichiometric yttrium sulfides Open
Ju Chen, Wenwen Cui, Kun Gao, Jian Hao, Jingming Shi , et al. · 2020
Yttrium sulfides are found to exhibit rich phase diagram and diverse properties under pressures. Here, we systematically investigate the stability of binary Y-S system up to 50 GPa using first-principles swarm-intelligence structure search…
View article: High-Pressure Phases and Properties of the Mg<sub>3</sub>Sb<sub>2</sub> Compound
High-Pressure Phases and Properties of the Mg<sub>3</sub>Sb<sub>2</sub> Compound Open
Shicong Ding, Ruiming Su, Wenwen Cui, Jian Hao, Jingming Shi , et al. · 2020
Pressure always plays an important role in influencing the structure configuration and electronic properties of materials. Here, combining density function theory and structure prediction algorithm, we systematically studied the Mg3
View article: Formation of ammonia–helium compounds at high pressure
Formation of ammonia–helium compounds at high pressure Open
Jingming Shi, Wenwen Cui, Jian Hao, Meiling Xu, Xianlong Wang , et al. · 2020
View article: Helium Incorporation Stabilized Direct-gap Silicides
Helium Incorporation Stabilized Direct-gap Silicides Open
Shicong Ding, Jingming Shi, Jiahao Xie, Wenwen Cui, Pan Zhang , et al. · 2020
The search of direct-gap Si-based semiconductors is of great interest due to the potential application in many technologically relevant fields. This work examines the incorporation of He as a possible route to form a direct band gap in Si.…
View article: Iodine molecule modifications with high pressure
Iodine molecule modifications with high pressure Open
Jingming Shi, Silvana Botti, Miguel A. L. Marques, Toru Shinmei, Tetsuo Irifune , et al. · 2020
Metallization and dissociation are key transformations in diatomic molecules at high densities particularly significant for modeling giant planets. Using X-ray absorption spectroscopy and atomistic modeling, we demonstrate that in halogens…
View article: Route to high-<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>T</mml:mi><mml:mi>c</mml:mi></mml:msub></mml:math> superconductivity via <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>CH</mml:mi><mml:mn>4</mml:mn></mml:msub></mml:math>-intercalated <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi mathvariant="normal">H</mml:mi><mml:mn>3</mml:mn></mml:msub><mml:mi mathvariant="normal">S</mml:mi></mml:mrow></mml:math> hydride perovskites
Route to high- superconductivity via -intercalated hydride perovskites Open
Wenwen Cui, Tiange Bi, Jingming Shi, Yinwei Li, Hanyu Liu , et al. · 2020
While exploring potential superconductors in the C-S-H ternary system using first-principles crystal structure prediction methods, we uncovered a class of hydride perovskites based on the intercalation of methane into an H3S fra…
View article: Doping of Interstitials (H, He, C, N) in CrCoFeNi High Entropy Alloy: A DFT Study
Doping of Interstitials (H, He, C, N) in CrCoFeNi High Entropy Alloy: A DFT Study Open
Jingming Shi, Yu Lei, Naoyuki Hashimoto, Shigehito Isobe · 2020
The dissolution behavior of H, He, C and N in CrCoFeNi high entropy alloy (HEA) is studied by density functional theory calculation. Results show that the site preference of H, C and N in CrCoFeNi HEA is the octahedral site, while the site…
View article: Effect of annealing pressure on surface oxidation in annealing process for LaFe11.5Si1.5C0.13 strips
Effect of annealing pressure on surface oxidation in annealing process for LaFe11.5Si1.5C0.13 strips Open
Jianing Xue, Yi Long, Yixu Wang, Jingming Shi, He Zhou , et al. · 2020
La(Fe,Si)13-based compounds are promising refrigerants for new magnetic refrigeration technology. Cumulatively, rapid solidification is one of the most effective synthetic methods for these compounds because it requires a short annealing t…
View article: Correction: The intrinsic magnetism, quantum anomalous Hall effect and Curie temperature in 2D transition metal trihalides
Correction: The intrinsic magnetism, quantum anomalous Hall effect and Curie temperature in 2D transition metal trihalides Open
Jiaxiang Sun, Xin Zhong, Wenwen Cui, Jingming Shi, Jian Hao , et al. · 2020
Correction for ‘The intrinsic magnetism, quantum anomalous Hall effect and Curie temperature in 2D transition metal trihalides’ by Jiaxiang Sun et al., Phys. Chem. Chem. Phys., 2020, DOI: 10.1039/c9cp05084a.
View article: Aupdagpt Noble High Entropy Alloy and its Surface: A Density Functional Theory Study
Aupdagpt Noble High Entropy Alloy and its Surface: A Density Functional Theory Study Open
Jingming Shi, Naoyuki Hashimoto · 2020
View article: Computational Design of Novel Hydrogen-Rich YS–H Compounds
Computational Design of Novel Hydrogen-Rich YS–H Compounds Open
Ju Chen, Wenwen Cui, Jingming Shi, Meiling Xu, Jian Hao , et al. · 2019
The recent successful findings of H3S and LaH10 compressed above 150 GPa with a record high T c (above 200 K) have shifted the focus on hydrogen-rich materials for high superconductivity at high pres…
View article: Prediction of pressure-induced phase transformations in Mg<sub>3</sub>As<sub>2</sub>
Prediction of pressure-induced phase transformations in Mg<sub>3</sub>As<sub>2</sub> Open
Kang Yang, Jingming Shi, Shicong Ding, Ruiming Su, Wenwen Cui , et al. · 2019
We have performed an extensive structural study on cubic Mg3As2in a pressure range of 0–100 GPa by using a combination of structure predictions and first-principle calculations.
View article: Study on synergistic effects of H and He in α-Fe
Study on synergistic effects of H and He in α-Fe Open
Jingming Shi, Naoyuki Hashimoto · 2018
The synergistic effect of hydrogen and helium in alpha-Fe has been investigated using density functional theory calculation method. In perfect crystal of Fe, the presence of helium atom would decrease the dissolution energy of hydrogen ato…
View article: Ab initio prediction of crystalline phases and their electronic properties : from ambient to extreme pressures
Ab initio prediction of crystalline phases and their electronic properties : from ambient to extreme pressures Open
Jingming Shi · 2017
In this thesis we use global structural prediction methods (Particle Swarm Optimization and Minima Hopping Method) and high-throughput techniques to predict crystal structures of different systems under different conditions. We performed s…
View article: High-throughput search of ternary chalcogenides for p-type transparent electrodes
High-throughput search of ternary chalcogenides for p-type transparent electrodes Open
Jingming Shi, Tiago F. T. Cerqueira, Wenwen Cui, Fernando Nogueira, Silvana Botti , et al. · 2017
View article: Solid solubility in 1:13 phase of doping element for La(Fe,Si)13 alloys
Solid solubility in 1:13 phase of doping element for La(Fe,Si)13 alloys Open
S. T. Zong, C. L. Wang, Yi Long, Bin Fu, Jingming Shi , et al. · 2016
The influences of Ni, Cr and Nb as substitution elements for Fe were investigated. The change in microstructure and the magnetic properties have been discussed in detail. Substitution elements Ni, Cr and Nb not only have limited solubility…
View article: Hydrogen segregation and its roles in structural stability and metallization: silane under pressure
Hydrogen segregation and its roles in structural stability and metallization: silane under pressure Open
Wenwen Cui, Jingming Shi, Hanyu Liu, Yansun Yao, Hui Wang , et al. · 2015




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