Related papers: Transition metal (group V) doping induced spin and…
Two-dimensional (2D) transition metal di-chalcogenide layers with high electrical conductivity and spin-orbit coupling (SOC) can find huge potential in spintronic devices. With limited success of 2D spin Hall material development, we…
Opto-spintronics is an emerging field where ultra-thin magnetic-semiconductors having high spin-valley coupling play an important role. Here, we demonstrate substitutional vanadium (V) doping in MoS$_2$ lattice in different extent, leading…
Doping in transition metal dichalcogenide (TMD) monolayers provides a powerful method to precisely tailor their electronic, optical, and catalytic properties for advanced technological applications, including optoelectronics, catalysis, and…
MXenes are two-dimensional materials composed of transition metals and light elements, known for their high conductivity and versatile surface chemistry. The introduction of spin centers via doping can lead to promising materials for…
Two-dimensional (2D) materials with robust magnetism have drawn immense attention for their promising applications in spintronics. Recently, intrinsic ferromagnetic vanadium triiodide (VI3) has been synthesized experimentally. To enhance…
The realization of multiferroicity in 2D nanomaterials is crucially important for designing advanced nanoelectronic devices such as non-volatile multistate data storage. In this work, the coexistence of ferromagnetism and ferroelectricity…
Doping is an effective way to modify the electronic property of two-dimensional (2D) materials and endow them with new functionalities. However, wide-range control of the substitutional doping concentration with large scale uniformity…
Monolayers of molybdenum disulfide (MoS2) are the most studied two-dimensional (2D) transition-metal dichalcogenides (TMDs), due to its exceptional optical, electronic, and opto-electronic properties. Recent studies have shown the…
Magnetism in two-dimensional materials is of great importance in discovering new physical phenomena and developing new devices at the nanoscale. In this paper, first-principles simulations are used to calculate the electronic and magnetic…
Dilute magnetic semiconductors, achieved through substitutional doping of spin-polarized transition metals into semiconducting systems, enable experimental modulation of spin dynamics in ways that hold great promise for novel…
Rutile ($R$) phase VO$_2$ is a quintessential example of a strongly correlated bad-metal, which undergoes a metal-insulator transition (MIT) concomitant with a structural transition to a V-V dimerized monoclinic phase below T$_{MIT} \sim…
Electronic correlations could have significant impact on the material properties. They are typically pronounced for localized orbitals and enhanced in low-dimensional systems, so two-dimensional (2D) transition metal compounds could be a…
Transition metal dichalcogenides (TMDs) are two-dimensional (2D) materials with remarkable electrical, optical and chemical properties. One promising strategy to tailor TMD properties of TMDs is to create alloys through dopant-induced…
Transition metal dichalcogenides (TMDs), like VS2, display unique electronic, magnetic, and optical properties, making them promising for spintronic and optoelectronic applications. Using first-principles calculations based on the Density…
Understanding the magnetic properties of the various Mn doping configurations that can be encountered in $2H$-MoS$_2$ monolayer could be beneficial for its use in spintronics. Using density functional theory plus Hubbard U (DFT$+$U)…
Altermagnets (AM) are a recently discovered third class of collinear magnets, and have been attracting significant interest in the field of condensed matter physics. Here, based on first-principles calculations and theoretical analysis, we…
Superconducting layered transition metal dichalcogenides (TMDs) stand out among other superconductors due to the tunable nature of the superconducting transition, coexistence with other collective electronic excitations (charge density…
We find, through first-principles calculations, that hole doping induces a ferromagnetic phase transition in monolayer GaSe. Upon increasing hole density, the average spin magnetic moment per carrier increases and reaches a plateau near 1.0…
The search for a two-dimensional material that simultaneously fulfills some properties for its use in spintronics and optoelectronics, i.e., a suitable bandgap with high in-plane carrier mobility and good environmental stability, is the…
Charge doping is an effective way to induce metal-insulate transition (MIT) in correlated materials for many important utilizations, which is however practically limited by problem of low stability. In this study, we have achieved…