Related papers: Machine learning guided discovery of superconducti…
Layered transition-metal compounds with controllable magnetic behaviors provide many fascinating opportunities for the fabrication of high-performance magneto-electric and spintronic devices. The tuning of their electronic and magnetic…
By replacing the alkali element in the newly discovered K2Mo3As3 superconductor, we successfully synthesized ternary molybdenum pnictides Rb2Mo3As3 and Cs2Mo3As3 through solid state reaction method. Powder X-ray diffraction analysis reveals…
Pure borocarbides suffer from limited superconducting potential due to intrinsic structural instability, requiring transition/alkali metals as dual-functional stabilizers and dopants. Here, by combining high-throughput screening with…
Superconductivity of iron chalocogenides is strongly enhanced under applied pressure yet its underlying pairing mechanism remains elusive. Here, we present a quantum oscillations study up to 45 T in the high-$T_c$ phase of tetragonal…
In this review article we consider theoretically and give experimental support to the models of the Fermi-Bose mixtures and the BCS-BEC crossover compared with the strong-coupling approach, which can serve as the cornerstones on the way…
We present a computational framework that integrates machine learning with high-throughput \textit{ab initio} calculations to screen over 2.8 million compounds for metallic transport. We identify several intermetallic candidates with…
We report on magnetization, specific heat and resistivity experiments on single crystals of the novel heavy Fermion compound Ce$_3$PdIn$_{11}$. At ambient pressure the compound exhibits two successive transitions at T$_{1}$ = 1.63 K and…
We used our developed AI search engine~(InvDesFlow) to perform extensive investigations regarding ambient stable superconducting hydrides. A cubic structure Li$_2$AuH$_6$ with Au-H octahedral motifs is identified to be a candidate. After…
The synthesis of materials in high-pressure experiments has recently attracted increasing attention, especially since the discovery of record breaking superconducting temperatures in the sulfur-hydrogen and other hydrogen-rich systems.…
The expansiveness of compositional phase space is too vast to fully search using current theoretical tools for many emergent problems in condensed matter physics. The reliance on a deep chemical understanding is one method to identify local…
The discovery of high-temperature superconductivity in compressed H3S by Drozdov and co-workers (A. Drozdov, et. al., Nature 525, 73 (2015)) heralded a new era in superconductivity. To date, the record transition temperature of Tc = 260 K…
We employ the diagrammatic Monte Carlo method with a lattice path-integral formulation for both electron and phonon degrees of freedom to investigate the formation and properties of bond polarons and bipolarons on a two-dimensional…
Recently, a host/guest clathrate SrB3C3 with sp3-bonded boron-carbon framework was synthesized at around 50 GPa. On the basis of electron count, the structure is understood as guest Sr2+ cations intercalated in the (B3C3)3- framework.…
We perform a high-throughput computational search for novel phonon-mediated superconductors, starting from the Materials Cloud 3-dimensional structure database of experimentally known inorganic stoichiometric compounds. We first compute the…
Discovery of superconductivity at megabar (MB) pressures in hydrogen sulfide H3S, then in metal polyhydrides, starting with binary, LaH10, etc., and ending with ternary ones, including (La, Y)H10, revolutionized the field of condensed…
The application of superconducting materials is becoming more and more widespread. Traditionally, the discovery of new superconducting materials relies on the experience of experts and a large number of "trial and error" experiments, which…
We investigated the possibility of superconductivity in monolayer hexagonal boron nitride (h-BN) doped using each group-1 (Li, Na, K) and group-2 (Be, Mg, Ca, Sr, Ba) atom via ab-initio calculations. Consequently, we reveal that Sr- and…
The electronic band structures of the new superconducting (with T_c up to 7.7K) ternary silicides M(A_{0.5}Si_{0.5})_2 (M= Ca, Sr, Ba; A= Al, Ga) in the AlB_2-type structure have been investigated using the full-potential LMTO method. The…
Cerium-based intermetallics have garnered significant research attention as potential new permanent magnets. In this study, we explore the compositional and structural landscape of Ce-Co-Cu ternary compounds using a machine learning…
Lithium borocarbide, LiBC, a member of the Z = 4.67 family of materials, is not a superconductor. Using ternary combinations of elements that give Z = 4.67 and the material specific characterization dataset (MSCD) scheme, we discover other…