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Inspired by recent predictions of superconductivity in B-C framework clathrates, we employ density functional theory to explore potential superconductors among hexagonal hydride-substituted compounds with compositions XB$_8$C, XB$_7$C$_2$,…

Superconductivity · Physics 2025-03-11 Bin Li , Yuxiang Fan , Chuanhui Yin , Junjie Zhai , Cong Zhu , Zhisi Cao , Jie Cheng , Shengli Liu

The discovery of the first high critical temperature (Tc) transition metal diboride superconductor, MgB2 structure alpha-MoB2 under pressure with Tc up to 32 K at 100 GPa, provides new input into some unexplained aspects of electron-phonon…

Superconductivity · Physics 2021-12-22 Yundi Quan , Kwan-woo Lee , Warren E. Pickett

Superconductivity in two-dimensional compounds is widely concerned, not only due to its application in constructing nano-superconducting devices, but also for the general scientific interests. Very recently, borophene (two-dimensional boron…

Superconductivity · Physics 2017-01-13 Miao Gao , Qi-Zhi Li , Xun-Wang Yan , Jun Wang

In the search for MgB2-like phonon-mediated superconductors we have carried out a systematic density functional theory study of the Ca-B system, isoelectronic to Mg-B, at ambient and gigapascal pressures. A remarkable variety of candidate…

Materials Science · Physics 2015-06-16 Sheena Shah , Aleksey N. Kolmogorov

The theoretical maximum critical temperature ($T_c$) for conventional superconductors at ambient pressure remains a fundamental question in condensed matter physics. Through analysis of electron-phonon calculations for over 20,000 metals,…

The highest critical temperature of superconductivity Tc has been achieved in cuprates: 133 K at ambient pressure and 164 K at high pressures. As the nature of superconductivity in these materials is still not disclosed, the prospects for a…

Superconductivity · Physics 2014-12-02 A. P. Drozdov , M. I. Eremets , I. A. Troyan

The discovery of high critical temperature T_{c} superconductivity in highly compressed H_{3}S has opened up the question of searching for strong electron-phonon coupling in the hydrides outside the transition metal series. The specific…

Superconductivity · Physics 2019-08-08 P. -H. Chang , S. Silayi , D. A. Papaconstantopoulos , M. J. Mehl

Superconductivity is observed with critical temperatures near 9K in the tetragonal compound Mo5PB2. This material adopts the Cr5B3 structure type common to supercondcuting Nb5Si3-xBx, Mo5SiB2, and W5SiB2, which have critical temperatures of…

Superconductivity · Physics 2016-03-10 Michael A. McGuire , David S. Parker

Exploring high-temperature superconducting (high-$T_c$) material at ambient pressure holds immense significance for physics, chemistry, and materials science. In this study, we perform a high-throughput screening of strong electron-phonon…

Metal borides have been considered as potential high-temperature superconductors since the discovery of record-holding 39 K superconductivity in bulk MgB2. In this work, we identified a superconducting yet thermodynamically stable F43m…

Superconductivity · Physics 2023-10-24 Xin Yang , Wenbo Zhao , Liang Ma , Wencheng Lu , Xin Zhong , Yu Xie , Hanyu Liu , Yanming Ma

The electronic structure, lattice dynamics, and electron-phonon coupling (EPC) of the newly discovered (Ba,K)SbO$_3$ superconductors are investigated by first-principles calculations. The EPC of (Ba,K)SbO$_3$ is significantly enhanced by…

Superconductivity · Physics 2022-02-09 Zhihong Yuan , Pengyu Zheng , Yiran Peng , Rui Liu , Xiaobo Ma , Guangwei Wang , Tianye Yu , Zhiping Yin

By means of the first-principles density-functional theory calculation and Wannier interpolation, electron-phonon coupling and superconductivity are systematically explored for boron-doped LiBC (i.e. LiB$_{1+x}$C$_{1-x}$), with $x$ between…

Superconductivity · Physics 2018-06-29 Qi-Zhi Li , Xun-Wang Yan , Miao Gao , Jun Wang

Discovery of high-temperature superconductivity in hydrogen-rich compounds has fuelled the enthusiasm for finding materials with more promising superconducting properties among hydrides. However, the ultrahigh pressure needed to synthesize…

Superconductivity · Physics 2021-09-22 Miao Gao , Xun-Wang Yan , Zhong-Yi Lu , Tao Xiang

In the recent years, three-dimensional (3D) high-temperature superconductors at ultrahigh pressure have been reported, typical examples are the polyhydrides H$_{3}$S, LaH$_{10}$, and YH$_{9}$, etc. To find high-temperature superconductors…

Superconductivity · Physics 2022-08-04 Ya-Ping Li , Liu Yang , Hao-Dong Liu , Na Jiao , Meiyan Ni , Ning Hao , Hong-Yan Lu , Ping Zhang

Research on high-temperature superconductors has primarily focused on hydrogen-rich compounds, however, the need for extreme pressures limits their practical applications. The X2MH6-type structure Mg2IrH6 stands out because it exhibits…

Superconductivity · Physics 2025-04-01 Jing Luo , Qun Wei , Xiaofei Jia , Meiguang Zhang , Xuanmin Zhu

Recently it was discovered that, under elevated pressures, MoB$_2$ exhibits superconductivity at a critical temperature, $T_c$, as high as 32 K. The superconductivity appears to develop following a pressure-induced structural transition…

Superconducting transition temperature $T_C$ of some of the cubic $\beta$-phase Mo$_{1-x}$Re$_x$ alloys with x > 0.10 is an order of magnitude higher than that in the elements Mo and Re. We investigate this rather enigmatic issue of the…

Considerable excitement has been caused recently by the discovery that the binary boride system with stoichiometry MgB2 is superconducting at the remarkably high temperature of 39 K (1). This potentially opens the way to even higher Tc…

A new two-dimensional material { Mg2B4C2, belonging to the family of the conventional superconductor MgB2, is theoretically predicted to exhibit superconductivity with critical temperature Tc estimated in the 47-48 K range (predicted using…

Among exciting recent advances in the field of two-dimensional (2D) materials, the successful fabrications of the C60 fullerene networks has been a particularly inspiring accomplishment. Motivated by the recent achievements, herein we…

Materials Science · Physics 2023-08-11 Bohayra Mortazavi , Yves Remond , Hongyuan Fang , Timon Rabczuk , Xiaoying Zhuang