相关论文: Semiconducting SiGeSn High-Entropy Alloy: A Densit…
High-entropy alloys (HEAs) have emerged as favorable choices for different applications, including superconductors. The present work examines the impact of nanostructuring via high-pressure torsion (HPT) on the superconducting properties of…
Van der Waals (vdW) heterostructures have attracted intense interest worldwide as they offer several routes to design materials with novel features and wide-ranging applications. Unfortunately, at present, vdW heterostructures are…
Spin gapless semiconductors (SGSs), novel quantum materials, are notable for their tunable spin-transport properties. Considering that the SGS materials might have an invariably deformed lattice upon integration into devices, and given that…
The thermodynamic stability of germanium tin $\mathrm{Ge_{1-x}Sn_x}$ alloys is investigated across the composition range $0 \le x \le 1$ by applying density functional theory (DFT) together with the cluster expansion formalism (CE). It is…
High-entropy alloy (HEA) superconductors have attracted significant attention due to their exceptional low-temperature mechanical and superconducting properties. We report the synthesis and thorough characterization of an equiatomic HEA…
The solution and diffusion of interstitial non-metallic solutes (INSs) like H, He, O, C, N, P, and S is common in refractory high-entropy alloys (RHEAs) and essentially controls the RHEAs properties. However, the disorder local chemical…
Pushing dopant concentrations beyond the solubility limit in semiconductors -- a process known as hyperdoping -- has been demonstrated as an effective strategy for inducing superconductivity in cubic-diamond Si and SiGe materials.…
Transition-metal-based Heusler semiconductors are promising materials for a variety of applications ranging from spintronics to thermoelectricity. Employing the $GW$ approximation within the framework of the FLAPW method, we study the…
We demonstrate the accuracy of the hybrid functional HSE06 for computing band offsets of semiconductor alloy heterostructures. The highlight of this study is the computation of conduction band offsets with a reliability that has eluded…
The lack of straightforward epitaxial integration of useful telecom lasers on silicon remains the major bottleneck for bringing optical interconnect technology down to the on-chip level. Crystalline silicon itself, an indirect…
Accurately modeling the electronic structure of materials is a persistent challenge to high-throughput screening. A promising means of balancing accuracy against computational cost are non-self-consistent calculations with hybrid…
We have investigated the electronic structure of fluorite Cu$_{2}$Se using density functional theory calculations within the LDA, PBE and AM05 approximations as well as with the non-local hybrid PBE0 and HSE approximations. Our results show…
We present and compare three distinct atomistic models -- based on first principles and semi-empirical approaches -- of the structural and electronic properties of Ge$_{1-x}$Sn$_{x}$ alloys. Density functional theory calculations…
Superconductors are influenced by high-entropy alloys (HEAs); these have been investigated in various functional materials. REOBiS$_2$ (RE = La, Ce, Pr, Nd, Sm, and Gd in different combinations) single crystals with HEAs at the RE-site were…
High-entropy alloys (HEAs) are at the focus of current research for their diverse properties, including superconductivity and structural polymorphism. However, the polymorphic transition has been observed only in nonsuperconducting HEAs and…
Despite considerable advancements, high electron mobility transistors (HEMTs) based on gallium nitride (GaN) channels remain largely limited to power applications below 650 V. For higher power demands, the ultra-wide bandgap semiconductor…
Semiconductor heterostructure is a critical building block for modern semiconductor devices. However, forming semiconductor heterostructures of lattice-mismatch has been a great challenge for several decades. Epitaxial growth is infeasible…
High-entropy alloys (HEAs) are exceptional candidates for radiation-resistant materials due to their complex local chemical environment and slow defect migration. Despite commonly overlooked, electronic effects on defects evolution in…
Group IV alloys have been long viewed as homogeneous random solid solutions since they were first perceived as Si-compatible, direct-band-gap semiconductors 30 years ago. Such a perception underlies the understanding, interpretation and…
We introduce the subdimensional entanglement entropy (SEE), defined on subdimensional entanglement subsystems (SESs) embedded in the bulk, as an entanglement-based probe of how geometry and topology jointly shape universal properties of…