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Register a new userTwo Dimensional Ferromagnetic Semiconductor: Monolayer CrGeS$_3$
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Recently, two-dimensional ferromagnetic semiconductors have been an important class of materials for many potential applications in spintronic devices. Based on density functional theory, we systematically explore the magnetic and electronic properties of CrGeS$_3$ with the monolayer structures. The comparison of total energy between different magnetic states ensures the ferromagnetic ground state of monolayer CrGeS$_3$. It is also shown that ferromagnetic and semiconducting properties are exhibited in monolayer CrGeS$_3$ with the magnetic moment of 3 $mu_{B}$ for each Cr atom, donated mainly by the intense $dp$$sigma$-hybridization of Cr $e_g$-S $p$. There are the bandgap of 0.70 eV of spin-up state in the monolayer structure when 0.77 eV in spin-down state. The global gap is 0.34 eV (2.21 eV by using HSE06 functional), which originates from bonding $dpsigma$ hybridized states of Cr $e_g$-S $p$ and unoccupied Cr $t_{2g}$-Ge $p$ hybridization. Besides, we estimate that the monolayer CrGeS$_3$ possesses the Curie temperature of 161 K by mean-field theory.
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Two-dimensional (2D) multiferroics have been casted great attention owing to their promising prospects for miniaturized electronic and memory devices.Here, we proposed a highly stable 2D multiferroic, VOF monolayer, which is an intrinsic ferromagnetic half semiconductor with large spin polarization ~2 $mu_{B}/V$ atom and a significant uniaxial magnetic anisotropy along a-axis (410 $mu eV/V$ atom). Meanwhile, it shows excellent ferroelectricity with a large spontaneous polarization 32.7 $mu C/cm^{2}$ and a moderate energy barrier (~43 meV/atom) between two ferroelectric states, which can be ascribed to the Jahn-Teller distortion.Moreover, VOF monolayer harbors an ultra-large negative Poissons ratio in the in-plane direction (~-0.34). The Curie temperature evaluated from the Monte Carlo simulations based on the Ising model is about 215 K, which can be enhanced room temperature under -4% compressive biaxial strain.The combination of ferromagnetism and ferroelectricity in the VOF monolayer could provide a promising platform for future study of multiferroic effects and next-generation multifunctional nanoelectronic device applications.
Two-dimensional (2D) ferromagnets have recently drawn extensive attention, and here we study the electronic structure and magnetic properties of the bulk and monolayer of CrSBr, using first-principles calculations and Monte Carlo simulations. Our results show that bulk CrSBr is a magnetic semiconductor and has the easy magnetization b-axis, hard c-axis, and intermediate a-axis. Thus, the experimental triaxial magnetic anisotropy (MA) is well reproduced here, and it is identified to be the joint effects of spin-orbit coupling (SOC) and magnetic dipole-dipole interaction. We find that bulk CrSBr has a strong ferromagnetic (FM) intralayer coupling but a marginal interlayer one. We also study CrSBr monolayer in detail and find that the intralayer FM exchange persists and the shape anisotropy has a more pronounced contribution to the MA. Using the parameters of the FM exchange and the triaxial MA, our Monte Carlo simulations show that CrSBr monolayer has Curie temperature Tc = 175 K. Moreover, we find that a uniaxial tensile (compressive) strain along the a (b) axis would further increase the Tc.
Single crystals of CrSbSe$_3$, a structurally pseudo-one-dimensional ferromagnetic semiconductor, were grown using a high-temperature solution growth technique and were characterized by x-ray diffraction, anisotropic, temperature- and field-dependent magnetization, temperature-dependent resistivity and optical absorption measurements. A band gap of 0.7 eV was determined from both resistivity and optical measurements. At high temperatures, CrSbSe$_3$ is paramagnetic and isotropic with a Curie-Weiss temperature of $sim$145 K and an effective moment of $sim$4.1 $mu_B$/Cr. A ferromagnetic transition occurs at $T_c$ = 71 K. The $a$-axis, perpendicular to the chains in the structure, is the magnetic easy axis, while the chain axis direction, along $b$, is the hard axis. Magnetic isotherms measured around $T_c$ do not follow the behavior predicted by simple mean field critical exponents for a second order phase transition. A tentative set of critical exponents is estimated based on a modified Arrott plot analysis, giving $betasim$0.25, $gammasim$1.38 and $deltasim$6.6.
We examine the response of a soft ferromagnetic film to an in-plane applied magnetic field. Our theory, based on asymptotic analysis of the micromagnetic energy in the thin-film limit, proceeds in two steps: first we determine the magnetic charge density by solving a convex variational problem; then we construct an associated magnetization field using a robust numerical method. Experimental results show good agreement with the theory. Our analysis is consistent with prior work by van den Berg and by Bryant and Suhl, but it goes much further; in particular it applies even for large fields which penetrate the sample.
Two-dimensional (2D) transition metal dichalcogenides (TMDs), especially MoS2 and WS2 recently attract extensive attentions due to their rich physics and great potential applications. Superior to graphene, MS2 (M = Mo/W) monolayers have a native direct energy gap in visible frequency range. This promises great future of MS2 for optoelectronics. To exploit properties and further develop more applications, producing large-scale single crystals of MS2 by a facile method is highly demanded. Here, we report the synthesis of large-scale triangular single crystals of WS2 monolayer from a chemical vapor deposition process and systematic optical studies of such WS2 monolayers. The observations of high yield of light emission and valley-selective circular dichroism experimentally evidence the high optical quality of the WS2 monolayers. This work paves the road to fabricate large-scale single crystalline 2D semiconductors and study their fundamentals. It must be very meaningful for exploiting great potentials of WS2 for future optoelectronics.
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