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Half-metals and spin gapless semiconductors are promising candidates for spintronic applications due to the complete (100%) spin polarization of electrons around the Fermi level. Based on recent experimental and theoretical findings of…
Recent experimental developments in hydrogen-rich materials in high pressures have put this class of materials above others in the race toward room temperature superconductivity. As it is the basis of all the materials in this class, the…
We report on the theoretical discovery of Iron monocarbide binary sheets stabilized at two-dimensional confined space, which we call tetragonal-FeC (t-FeC) and orthorhombic-FeC (o-FeC), respectively. From the energy viewpoint, the proposed…
Time-reversal breaking topological superconductors are new states of matter which can support Majorana zero modes at the edge. In this paper, we propose a new realization of one-dimensional topological superconductivity and Majorana zero…
Two-dimensional (2D) atomic materials possess very different properties from their bulk counterparts. While changes in the single-particle electronic properties have been extensively investigated, modifications in the many-body collective…
We identify a new family of boron-rich compounds consisting of interconnected B$_{12}$ icosahedra, and electropositive guest atoms ($X$) in interstitial sites. These structures were found through first-principles crystal structure…
We survey the landscape of binary hydrides across the entire periodic table from 10 to 500 GPa using a crystal structure prediction method. Building a critical temperature ($T_c$) model, with inputs arising from density of states…
The highest critical temperature of superconductivity Tc has been achieved in cuprates: 133 K at ambient pressure and 164 K at high pressures. As the nature of superconductivity in these materials is still not disclosed, the prospects for a…
Suppressing of an ordered state that competes with superconductivity is one route to enhance superconducting transition temperatures. Whereas the effect of suppressing magnetic states is still not fully understood, materials featuring…
Two-dimensional (2D) semiconductors, such as the transition metal dichalcogenides, have demonstrated tremendous promise for the development of highly tunable quantum devices. Realizing this potential requires low-resistance electrical…
Three Mo-based transition metal dichalcogenides MoS$_2$, MoSe$_2$ and MoTe$_2$ share at ambient conditions the same structure 2H$_c$, consisting of layers where Mo atoms are surrounded by six chalcogen atoms in trigonal prism coordination.…
Dynamic control of conductivity and optical properties via atomic structure changes is of tremendous technological importance in information storage. Energy consumption considerations provide a driving force toward employing thin materials…
In a pressure-temperature (P-T) diagram for synthesizing IrTe2 compounds, the well-studied trigonal (H) phase with the CdI2-type structure is stable at low pressures. The superconducting cubic (C) phase can be synthesized under higher…
Hydrogen-rich compounds have been extensively studied both theoretically and experimentally in the quest for novel high-temperature superconductors. Reports on sulfur-hydride attaining metallicity under pressure and exhibiting…
At present, metal hydrides are considered highly promising materials for phonon-mediated superconductors, that exhibit high values of the critical temperature. In the present study, the superconducting properties of the compressed selenium…
2D semiconducting transition metal dichalcogenides have been used to make high-performance electronic, spintronic, and optoelectronic devices. Recently, room-temperature ferromagnetism and semiconducting property were found in 2D VSe$_2$…
Superconductors based on transition metal dichalcogenides are of substantial current relevance, towards attaining topological superconductivity. Here we report a detailed study on the synthesis and electromagnetic characterization of…
A key challenge in materials discovery is to find high-temperature superconductors. Hydrogen and hydride materials have long been considered promising materials displaying conventional phonon-mediated superconductivity. However, the high…
Electric field-controlled, two-dimensional (2D) exciton dynamics in transition metal dichalcogenide monolayers is a current research focus in condensed matter physics. We have experimentally investigated the spectral and temporal properties…
High-T_c superconductors confined to two dimension exhibit novel physical phenomena, such as superconductor-insulator transition. In the Bi_2Sr_2CaCu_2O_8+x (Bi2212) model system, despite extensive studies, the intrinsic superconducting…