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Altermagnets exhibit nonrelativistic spin splitting without net magnetization, establishing a new platform for next-generation spintronic devices. Although altermagnetic tunnel junctions (AMTJs) represent the most promising realizations,…
Transition-metal oxides offer an opportunity to explore unconventional superconductors, where the superconductivity (SC) is often interrelated with novel phenomena such as spin/charge order, fluctuations, and Fermi surface instability…
Electronic structure calculations for atomic wire of metals like Al, Ga and In are performed for a patterned dihydrogeneted Si(001):1 $\times$ 1 in search of structures with metallic behavior. The dihydrogeneted Si(001) is patterned by…
We propose three transition-metal adatom systems on 3C-SiC(111) surfaces as a versatile platform to realize massless Dirac fermions and flat bands with strong electronic correlations. Using density functional theory combined with the…
Thin films of transition metal oxides open up a gateway to nanoscale electronic devices beyond silicon characterized by novel electronic functionalities. While such films are commonly prepared in an oxygen atmosphere, they are typically…
Density functional theory calculations are used to investigate a-MnO2, a structure containing a framework of corner and edge sharing MnO6 octahedra with tunnels in between. Placing K+ ions into the tunnels stabilizes a-MnO2 with respect to…
This study examines the potential of superconductivity in transition metal (TM) intercalated bilayer graphene through a systematic study of the electronic and magnetic properties. We determine the electronic structure for all first row TM…
The transition-metal dichalcogenides (TMD) MoS2 and WS2 show remarkable electromechanical properties. Strain modifies the direct band gap into an indirect one, and substantial strain even induces an semiconductor-metal transition. Providing…
Spin-orbitronics, based on both spin and orbital angular momentum, presents a promising pathway for energy-efficient memory and logic devices. Recent studies have demonstrated the emergence of orbital currents in light transition metals…
The possibility of investigating the dynamics of solids on timescales faster than the thermalization of the internal degrees of freedom has disclosed novel non-equilibrium phenomena that have no counterpart at equilibrium. Transition metal…
Monatomic metal (e.g. silver) structures could form preferably at graphene edges. We explore their structural and electronic properties by performing density functional theory based first-principles calculations. The results show that…
Unconventional ferroelectricity, robust at reduced nanoscale sizes, exhibited by hafnia-based thin-films presents tremendous opportunities in nanoelectronics. However, the exact nature of polarization switching remains controversial. Here,…
Developing a comprehensive magnetic theory for correlated itinerant magnets poses challenges due to the difficulty in reconciling both local moments and itinerant electrons. In this work, we investigate the microscopic process of magnetic…
Understanding the role of lattice geometry in shaping topological states and their properties is of fundamental importance to condensed matter and device physics. Here we demonstrate how an anisotropic crystal lattice drives a topological…
Polymorphic structures of transition-metal dichalcogenides (TMDs) host exotic electronic states, like charge density wave and superconductivity. However, the number of these structures is limited by crystal symmetries, which poses a…
We have investigated the magnetic properties of a non-symmorphic correlated material, TbAgSb2. It consists of a quasi-two-dimensional structure of Sb atoms which hosts topologically non-trivial fermions. We prepared high quality single…
The magnetic and lattice properties of the $S$=1/2 quantum-spin-chain ferromagnet, CuAs$_2$O$_4$, mineral name trippkeite, were investigated. The crystal structure of CuAs$_2$O$_4$ is characterized by the presence of corrugated CuO$_2$…
Two-dimensional intrinsic ferromagnetic half-metal (HM) are important for the spintronics. Manipulating the interlayer magnetic coupling of van der Waals magnetic materials is an important method to control magnetoelectric properties, which…
Transition metal dichalcogenides (TMDs) are layered semiconducting van der Waal crystals and promising materials for a wide range of electronic and optoelectronic devices. Realizing practical electrical and optoelectronic device…
Transition metal carbides/nitrides (MXenes) are a newly developing class of two-dimensional (2D) materials with technically robust properties that can be finely tuned by planar surface functionalization. Herein, the critical role of oxygen…