Related papers: High-throughput computational screening for bipola…
We report here the completion of the electronic structure of the majority of the known stoichiometric inorganic compounds, as listed in the International Crystal Structure Data-base (ICSD). We make a detailed comparison of the electronic…
A lattice spin-fermion model for diluted magnetic semiconductors (DMS) is investigated numerically, improving on previously used mean-field (MF) approximations. Curie temperatures are obtained varying the Mn-spin x and hole n densities, and…
We have measured the magnetic penetration depth of the recently discovered binary superconductor MgB_2 using muon spin rotation and low field $ac$-susceptibility. From the damping of the muon precession signal we find the penetration depth…
Spin filtering is a fundamental operation in spintronics, enabling the generation and detection of spin-polarized carriers. Here, we proposed and theoretically demonstrated that a 3d transition metal (TM) doped silicon quantum dot (SiQD) is…
We have performed a computational screening of topological two-dimensional (2D) materials from the Computational 2D Materials Database (C2DB) employing density functional theory. A full \textit{ab initio} scheme for calculating hybrid…
Ferromagnetic semiconductors (FMSs), which have the properties and functionalities of both semiconductors and ferromagnets, provide fascinating opportunities for basic research in condensed matter physics and device applications. Over the…
Since 2000, the intensive effort in materials research to develop a diluted magnetic semiconductor exhibiting high-temperature (HT) ferromagnetism above room temperature was not successful. Here, the possible first bulk diluted…
The magnetic properties of a material are determined by a subtle balance between the various interactions at play, a fact that makes the design of new magnets a daunting task. High-throughput electronic structure theory may help to explore…
There is currently much interest in materials and structures that provide coupled ferroelectric and ferromagnetic responses, with a long-term goal of developing new memories and spintronic logic elements. Within the field there is a focus…
The results of micro-structural and detailed magnetization studies are reported here for our recently published TbSr2Cu2.7Mo0.3O7+d superconductor with a transition temperature (Tc) at as high as 80 K [1]. From XRD and EDX the sample was…
Topological insulators (TIs) are an unusual phase of quantum matter with nontrivial spin-momentum locked topological surface states (TSS). The electrical detection of spin-momentum locking of the TSS in 3D TIs has been lacking till very…
We develop a multi-step workflow for the discovery of conventional superconductors, starting with a Bardeen Cooper Schrieffer inspired pre-screening of 1736 materials with high Debye temperature and electronic density of states. Next, we…
Two-dimensional (2D) ferromagnets and their heterostructures offer fertile grounds for designing fascinating functionalities in ultra-thin spintronic devices. Here, by first-principles calculations, we report the discovery of energetically…
It is highly desirable to combine the full spin polarization of carriers with modern semiconductor technology for spintronic applications. For this purpose, one needs good crystalline ferromagnetic (or ferrimagnetic) semiconductors with…
The comprehensive search for multifunctional materials has resulted in the discovery of semiconductors and oxides showing ferromagnetic features persisting to room temperature. In this tutorial review the methods of synthesis of these…
The development of two-dimensional (2D) room temperature magnets is of great significance to the practical application of spintronic devices. However, the number of synthesized intrinsic 2D magnets is limited and the performances of them…
The discovery of synthetically accessible organic semiconductors with exceptional performance remains a critical bottleneck in materials science. While these materials offer compelling advantages - structural modularity, mechanical…
Realizing ferromagnetic semiconductors with room Curie temperature $T\rm_C$ remains a challenge in spintronics. Inspired by the recent experimental progress on the nanotubes based on 2D van der Waals non-magnetic transition-metal…
Achieving robust room-temperature ferromagnetism in purely organic 2D crystals remains a fundamental challenge, primarily due to antiferromagnetic (AFM) coupling mediated by {\pi}-electron superexchange. Here, we present a mix-topology…
One of the main goals and challenges of materials discovery is to find the best candidates for each interest property or application. Machine learning rises in this context to efficiently optimize this search, exploring the immense…