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Engineering heterostructures with various types of quantum materials can provide an intriguing playground for studying exotic physics induced by the proximity effect. Here, we report the successful synthesis of iron-based superconductor…
The class of unconventional superconductors, particularly noncentrosymmetric superconductors, has been highly considered as potential materials for understanding the complex properties of quantum materials. Here, five previously unreported…
Pseudobinary heterostructural alloys of ZnO with MgO or CdO are studied by composing the system locally of clusters with varying ratio of cations. We investigate fourfold (wurtzite structure) and sixfold (rocksalt structure) coordination of…
The structural polymorphism in transition metal dichalcogenides (TMDs) provides exciting opportunities for developing advanced electronics. For example, MoTe$_2$ crystallizes in the 2H semiconducting phase at ambient temperature and…
Prediction and characterization of crystal structures of alloys are a key problem in materials research. Using high-throughput ab initio calculations we explore the low-temperature phase diagrams for the following systems: {Bi-In, Bi-Mg,…
We explored quinary body-centered cubic (bcc) high-entropy alloy (HEA) superconductors with valence electron concentrations (VECs) ranging from 4.6 to 5.0, a domain that has received limited attention in prior research. Our search has led…
This study presents a comprehensive first-principles investigation of the structural, electronic and optical properties of monolayer \ch{Mo_{1-x}W_xS2} alloys, systematically exploring the full compositional range ($x=0$ to $1$) using…
We report on the preparation and the physical properties of superconducting (TaNb)_1-x(ZrHfTi)_x high-entropy alloy films. The films were prepared by means of magnetron sputtering at room temperature, with x ranging from 0 to 1 with an…
Using Korringa-Kohn-Rostoker coherent-potential approximation in the atomic-sphere approximation (KKR-ASA CPA) method for taking into account the effects of disorder, Gaspari-Gyorffy formalism for calculating the electron-phonon coupling…
Two-dimensional transition metal dichalcogenides (TMDs) offer tunable optical and electronic properties, making them highly promising for next-generation optoelectronic devices. One effective approach to engineering these properties is…
The structural, superconducting, and electronic phase diagram of [Tl4]Tl1-xSnxTe3 is reported. Magnetization and specific heat measurements show bulk superconductivity exists for 0 < x < 0.4. Resistivity measurements indicate a crossover…
Fe$_y$Te$_{1-x}$Se$_x$, an archetypical iron-based high-temperature superconductor with a simple structure but rich physical properties, has attracted lots of attention because the two end compositions, Se content $x = 0$ and 1, exhibit…
The high entropy alloy containing refractory metals Mo-Nb-Ta-W has a body centered cubic structure, which is not surprising given the complete mutual solubility in BCC solid solutions of all pairs of the constituent elements. However, first…
Members of the CaK(Fe$_{1-x}$Mn$_{x}$)$_{4}$As$_{4}$ series have been synthesized in single crystalline form and characterized by elemental analysis, thermodynamic and transport measurements. These measurements show that the superconducting…
2H MoS2 has been intensively studied because of layer-dependent electronic structures and novel physical properties. Though the metastable 1T MoS2 with the [MoS6] octahedron was observed from the microscopic area, the true crystal structure…
Using the Korringa-Kohn-Rostoker coherent-potential approximation in the atomic-sphere approximation (KKR-ASA CPA) we have studied the changes in the electronic structure and the superconducting transition temperature T_{c} in Nb_{1-x}B_{2}…
This study describes the synthesis and characterization of Nb2TiW and Nb2TiMo medium entropy alloys (MEAs). The Nb2TiW and Nb2TiMo MEAs can be successfully synthesized by an arc melting method. Their structures and superconducting…
Phase diagrams supported by density functional theory methods can be crucial for designing high-entropy alloys that are subset of multi-principal$-$element alloys. We present phase and property analysis of quinary…
The recently discovered (Li${_{1-x}}$Fe${_x}$)OHFeSe superconductor with $T_c$ about 40K provides a good platform for investigating the magnetization and electrical transport properties of FeSe-based superconductors. By using a hydrothermal…
Systematic measurements of the resistivity, heat capacity, susceptibility and Hall coefficient are presented for single crystal samples of the electron-doped superconductor Ba(Fe$_{1-x}$Co$_x$)$_2$As$_2$. These data delineate an $x-T$ phase…