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Functional materials can offer new paradigms for miniaturized and energy-efficient electronics, providing a complementary or even alternative platform to metal-oxide-semiconductors. Here we report on electronically accessible long-lived…
An accurate density-functional method is used to study systematically half-metallic ferromagnetism and stability of zincblende phases of 3d-transition-metal chalcogenides. The zincblende CrTe, CrSe, and VTe phases are found to be excellent…
The method of functional integral bosonization is extended to examine the transmission properties of semi-infinite nanowires. In particular, it is shown that edge states will arise at the end point of the dimerized semi-infinite spin-chain…
Oxide heterostructures are versatile platforms with which to research and create novel functional nanostructures. We successfully develop one-dimensional (1D) quantum-wire devices using quantum point contacts on MgZnO/ZnO heterostructures…
Polynuclear magnetic molecules often present dense transmission spectra with many overlapping conduction spin channels. Single-metal complexes display a sparser density of states, which in the presence of a fixed external magnetic field…
Vanadium oxide (VOx) is a material of significant interest due to its metal-insulator transition (MIT) properties as well as its diverse stable antiferromagnetism depending on the valence states of V and O with distinct MIT transitions and…
We have computed phase diagrams for rotating spin-1 Bose-Einstein condensates with long-range magnetic dipole-dipole interactions. Spin textures including vortex sheets, staggered half-quantum- and skyrmion vortex lattices and higher order…
We report first-principles calculations of zinc-blende half-metals, identifying systems for epitaxial growth with semiconductors, and present calculations for CrAs/GaAs multilayers. We find that half-metallicity is conserved troughout the…
The effect of chemical doping on the ZSiNRs with Mn as passivating element replacing H atoms at one edge are investigated by first principles calculations.The structures optimized in the typical ferromagnetic and antiferromagnetic coupling…
On the basis of the spin-polarized density functional theory calculations, we demonstrate that partially-open carbon nanotubes (CNTs) observed in recent experiments have rich electronic and magnetic properties which depend on the degree of…
Finding new two-dimensional (2D) materials with novel quantum properties is highly desirable for technological innovations. In this work, we studied a series of metal-organic frameworks (MOFs) with different metal cores and discovered…
Two-dimensional (2D) half-metals with intrinsic ferromagnetism hold great potential for applications in spintronics. In this study, we aim to expand the known space of such 2D ferromagnetic (FM) half-metals by investigating bilayer of Janus…
In recent years, vanadium oxides have gained immense attention in the field of energy storage devices due to their low-cost, layered structure and multi-valency despite their limited electrical conductivity and lower structural stability.…
Organic-inorganic hybrids may offer material properties not available from their inorganic components. However, they are typically less stable and disordered. Long-term stability study of the hybrid materials, over the anticipated lifespan…
A fabrication process for vertical organic spin-valve devices has been developed which offers the possibility to achieve active device areas of less than 500x500 nm^2 and is flexible in terms of material choice for the active layers.…
We report ab initio calculations of spin-dependent transport in single atomic carbon chains bridging two zigzag graphene nanoribbon electrodes. Our calculations show that carbon atomic chains coupled to graphene electrodes are perfect…
Progress with quantum technology has for a large part been realized with the nitrogen-vacancy centre in diamond. Part of its properties, however, are nonideal and this drives research into other spin-active crystal defects. Several of these…
Rare-earth nitrides, such as gadolinium nitride (GdN), have great potential for spintronic devices due to their unique magnetic and electronic properties. GdN has a large magnetic moment, low coercitivity and strong spin polarization…
Vanadium spinels (ZnV_2O_4, MgV_2O_4, and CdV_2O_4) exhibit a sequence of structural and magnetic phase transitions, reflecting the interplay of lattice, orbital, and spin degrees of freedom. We offer a theoretical model taking into account…
Using density functional theory the ground state structural, electronic, and magnetic properties of monatomic lithium and sodium chains with low average density are investigated. A metallic, zigzag ground state structure is predicted but,…