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We present a density functional theory investigation of the pressure dependent structural, electronic, mechanical, thermophysical, vibrational, and optical properties of the intermetallic Kagome compound ZrRe2. The calculated ground-state…

Intercalation of two-dimensional (2D) iron chalcogenides with molecular species requires disentangling electronic and structural contributions to understand the puzzling limit to superconducting transition temperature ($T_c$) at the…

Coupling between $\sigma$-bonding electrons and phonons is generally very strong. To metallize $\sigma$-electrons provides a promising route to hunt for new high-T$_c$ superconductors. Based on this picture and first-principles density…

Superconductivity · Physics 2020-03-03 Miao Gao , Xun-Wang Yan , Zhong-Yi Lu , Tao Xiang

Recently, a honeycomb borophene was reported to grow successfully on Al(111) surface. Since the metallic $\sigma$-bonding bands of honeycomb boron sheet play a crucial role in the 39 K superconductivity of MgB$_2$, it is physically…

Superconductivity · Physics 2019-07-12 Miao Gao , Xun-Wang Yan , Jun Wang , Zhong-Yi Lu , Tao Xiang

Graphene, in addition to its unique electronic and optical properties, revealed unusually high thermal conductivity. The fact that thermal conductivity of large enough graphene sheets should be higher than that of basal planes of bulk…

K$_3$-picene is a superconducting molecular crystal with critical temperature T$_c=7$K or 18K, depending on preparation conditions. Using density functional theory we show that electron-phonon interaction accounts for T$_c ~ 3-8$ K. The…

Superconductivity · Physics 2015-05-28 Michele Casula , Matteo Calandra , Gianni Profeta , Francesco Mauri

We report the synthesis and characterization of a new compound Mg$_4$Pd$_7$As$_6$, which was found to be a superconductor with $T_c=5.45$~K. Powder X-ray diffraction confirms the U$_4$Re$_7$Si$_6$ structure (space group $Im$-$3m$, no. 229)…

Atomically thin, two-dimensional (2D) indium selenide (InSe) has attracted considerable attention due to large tunability in the band gap (from 1.4 to 2.6 eV) and high carrier mobility. The intriguingly high dependence of band gap on layer…

Materials Science · Physics 2018-03-28 Yuanhui Sun , Shulin Luo , Xin-Gang Zhao , Koushik Biswas , Song-Lin Li , Lijun Zhang

We report on the phonon and thermal properties of thin films of tantalum diselenide (2H-TaSe2) obtained via the graphene-like mechanical exfoliation of crystals grown by chemical vapor transport. The ratio of the intensities of the Raman…

Materials Science · Physics 2015-06-17 Z. Yan , C. Jiang , T. R. Pope , C. F. Tsang , J. L. Stickney , P. Goli , J. Renteria , T. T. Salguero , A. A. Balandin

We report the synthesis and superconducting properties of a layered cage compound Ba3Rh4Ge16. Similar to Ba3Ir4Ge16, the compound is composed of 2D networks of cage units, formed by noncubic Rh-Ge building blocks, in marked contrast to the…

A new Laves phase superconductor NbBe2, prototype with MgCu2, having maximum Tc ~2.6 K has been reported very recently. Based on first-principle calculations, we systematically study the structural, elastic, mechanical, electronic, thermal…

Materials Science · Physics 2016-03-15 Md. Zahidur Rahaman , Md. Atikur Rahman

Two-dimensional superconductors attract great interest both for their fundamental physics and for their potential applications, especially in the rapidly growing field of quantum computing. Despite intense theoretical and experimental…

Superconductivity · Physics 2021-05-12 Davide Campi , Simran Kumari , Nicola Marzari

We report the synthesis and physical properties of a full Heusler compound, MgPd$_2$Sb, which we found to show superconductivity below $T_c$ = 2.2 K. MgPd$_2$Sb was obtained by a two-step solid-state reaction method and its purity and cubic…

Chiral two-dimensional electron gases, which capture the electronic properties of graphene and rhombohedral graphene systems, exhibit singular momentum-space vortices and are susceptible to interaction-induced topological Haldane phases.…

Superconductivity · Physics 2025-12-25 Yafis Barlas , Fan Zhang , Enrico Rossi

We report a new family of chiral intermetallic superconductors TaAl$_{x}$Ge$_{2-x}$. The mother compound TaGe$_2$ has a C40-type chiral hexagonal crystal structure with a pair of enantiomorphic space groups of $P6{_2}22$ and $P6{_4}22$. By…

We present electronic structure calculations together with resistivity, susceptibility, and specific heat measurements for TaB$_2$ to search for the recently contradictorily reported superconductivity and to study related normal state…

Superconductivity · Physics 2009-11-07 H. Rosner , W. E. Pickett , S. -L. Drechsler , A. Handstein , G. Behr , G. Fuchs , K. Nenkov , K. -H. Müller , H. Eschrig

The manipulation of spin-phonon coupling in both formations and explorations of magnetism in two-dimensional van der Waals ferromagnetic semiconductors facilitates unprecedented prospects for spintronics devices. The interlayer engineering…

The electronic, phonon and thermoelectric transport properties of (PbTe)2 layer are systematically investigated by using first-principles pseudopotential method and Boltzmann transport equation. Our calculations demonstrate that there is a…

Materials Science · Physics 2020-03-04 Caiyu Sheng , Dengdong Fan , Huijun Liu

We performed electron energy-loss spectroscopy studies in transmission in order to obtain insight into the electronic properties of potassium intercalated coronene, a recently discovered superconductor with a rather high transition…

Superconductivity · Physics 2012-01-20 Friedrich Roth , Johannes Bauer , Benjamin Mahns , Bernd Büchner , Martin Knupfer

We describe the formation of superconducting states in graphene in the presence of pseudo-Landau levels induced by strain, when time reversal symmetry is preserved. We show that superconductivity in strained graphene is quantum critical…

Superconductivity · Physics 2013-07-29 Bruno Uchoa , Yafis Barlas
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