相关论文: Antimony arsenide: Chemical ordering in the compou…
The orthorhombic compound AuSn4 is compositionally similar to the Dirac node arc semimetal PtSn$_4$. AuSn$_4$ is, contrary to PtSn$_4$, superconducting with a critical temperature of T$_c$ = 2.35 K. Recent measurements present indications…
The crystal structure, superconducting properties, and electronic structure of a novel superconducting 122-type antimonide, BaPt$_2$Sb$_2$, have been investigated by measurements of powder X-ray diffraction patterns, electrical resistivity,…
Layered transition-metal compounds have received great attention owing to their novel physical properties. Here, we present the structural, electronic, thermal, and magnetic properties of BaMn2Sb2 and Ba2Mn3Sb2O2 single crystals, both with…
The diamond and zinc-blende semiconductors are well-known and have been widely studied for decades. Yet, their electronic structure still surprises with unexpected topological properties of the valence bands. In this joint theoretical and…
This work is provoked by recent discovery of new class prototype systems AFFeAs (A=Sr,Ca) of novel layered ironpnictide High-Tc superconductors (Tc=36K). Here we report ab initio LDA results for electronic structure of the AFFeAs systems.…
BaNi$_2$As$_2$, with a first order phase transition around 131 K, is studied by the angle-resolved photoemission spectroscopy. The measured electronic structure is compared to the local density approximation calculations, revealing similar…
AB5 compounds (A = rare earth, B = transition metal) have been widely studied as anodes for Ni-MH applications. However, they have reached their technical limitations and the search for new promising materials with high capacity is…
SrMnSb$_2$ is suggested to be a magnetic topological semimetal. It contains square, 2D Sb planes with non-symmorphic crystal symmetries that could protect band crossings, offering the possibility of a quasi-2D, robust Dirac semi-metal in…
Bulk superconductivity in a topological semimetal is a first step towards realizing topological superconductors, which can host Majorana fermions allowing us to achieve quantum computing. Here, we report superconductivity and compensation…
Determining the types of superconducting order in quantum materials is a challenge, especially when multiple degrees of freedom, such as bands or orbitals, contribute to the fermiology and when superconductivity competes, intertwines, or…
The chromium arsenides BaCr2As2 and BaCrFeAs2 with ThCr2Si2 type structure (space group I4/mmm; also adopted by '122' iron arsenide superconductors) have been suggested as mother compounds for possible new superconductors. DFT-based…
From electronic-structure-based thermodynamic linear-response, we establish chemical ordering behavior in complex solid solutions versus how Gibbs' space is traversed -- applying it on prototype refractory A2 Ta-Nb-Mo-W high-entropy alloys.…
In actinide systems, the 5f electrons experience a uniquely delicate balance of effects and interactions having similar energy scales, which are often difficult to properly disentangle. This interplay of factors such as the dual nature of…
Phase-change materials (PCMs) based on group IV, V, and VI elements, such as Ge, Sb, and Te, exhibit distinctive liquid-state features, including thermodynamic anomalies and unusual dynamical properties, which are believed to play a key…
S-band metals such as alkali and alkaline earth metals do not undergo a superconducting transition (SCT) at an ambient pressure, but their high-pressure phases do. In contrast, room temperature stable electride electride (C12A7:e-) in which…
BAs is III-V semiconductor with ultra-high thermal conductivity, but many of its electronic properties are unknown. This work applies predictive atomistic calculations to investigate the properties of BAs heterostructures, such as strain…
Inorganic electrides are a new class of compounds catering to the interest of scientists due to the multiple usages exhibited by interstitial electrons in the lattice. However, the influence of the shape and distribution of interstitial…
The single-crystal growth, stoichiometry, and structure of Rb1-xFe2-ySe2-zSz crystals with substitution of Se by S are reported. The variation of the magnetic and thermodynamic parameters of samples was studied by differential-scanning…
The candidate magnetoelectric Pb3Mn7O15 has a structure consisting of 1/3 filled Kagome layers linked by ribbons of edge-sharing octahedra in the stacking direction. Previous reports have indicated a complex hexagonal-orthorhombic…
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…