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Register a new userSurface phases of the transition-metal dichalcogenide IrTe2
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Transition-metal dichalcogenide IrTe2 has attracted attention because of striped lattice, charge ordering and superconductivity. We have investigated the surface structure of IrTe2, using low energy electron diffraction (LEED) and scanning tunneling microscopy (STM). A complex striped lattice modulations as a function of temperature is observed, which shows hysteresis between cooling and warming. While the bulk 5x1 and 8x1 phases appear at high temperatures, the surface ground state has the 6x1 phase, not seen in the bulk, and the surface transition temperatures are distinct from the bulk. The broken symmetry at the surface creates a quite different phase diagram, with the coexistence of several periodicities resembling devils staircase behavior.
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Moire systems provide a rich platform for studies of strong correlation physics. Recent experiments on hetero-bilayer transition metal dichalcogenide (TMD) Moire systems are exciting in that they manifest a relatively simple model system of an extended Hubbard model on a triangular lattice. Inspired by the prospect of the hetero-TMD Moire systems potential as a solid-state-based quantum simulator, we explore the extended Hubbard model on the triangular lattice using the density matrix renormalization group (DMRG). Specifically, we explore the two-dimensional phase space of the kinetic energy relative to the interaction strength $t/U$ and the further-range interaction strength $V_1/U$. We find competition between Fermi fluid, chiral spin liquid, spin density wave, and charge density wave. In particular, our finding of the optimal further-range interaction for the chiral correlation presents a tantalizing possibility.
Using first-principles calculations, we investigate six transition-metal nitride halides (TMNHs): HfNBr, HfNCl, TiNBr, TiNCl, ZrNBr, and ZrNCl as potential van der Waals (vdW) dielectrics for transition metal dichalcogenide (TMD) channel transistors. We calculate the exfoliation energies and bulk phonon energies and find that the six TMNHs are exfoliable and thermodynamically stable. We calculate both the optical and static dielectric constants in the in-plane and out-of-plane directions for both monolayer and bulk TMNHs. In monolayers, the out-of-plane static dielectric constant ranges from 5.04 (ZrNCl) to 6.03 (ZrNBr) whereas in-plane dielectric constants range from 13.18 (HfNBr) to 74.52 (TiNCl). We show that the bandgap of TMNHs ranges from 1.53 eV (TiNBr) to 3.36 eV (HfNCl) whereas the affinity ranges from 4.01 eV (HfNBr) to 5.60 eV (TiNCl). Finally, we estimate the dielectric leakage current density of transistors with six TMNH monolayer dielectrics with five monolayer channel TMDs (MoS2, MoSe2, MoTe2, WS2, and WSe2). For p-MOS TMD channel transistors, 19 out of 30 combinations have a smaller leakage current compared to monolayer hexagonal boron nitride (hBN), a well-known vdW dielectric. The smallest monolayer leakage current of 2.14*10-9 A/cm2 is predicted for a p-MOS WS2 transistor with HfNCl as a gate dielectric. HfNBr, HfNCl, ZrNBr, and ZrNCl are also predicted to yield small leakage currents in certain p-MOS TMD transistors.
Layered transition metal dichalcogenides (TMDCs) host a plethora of interesting physical phenomena ranging from charge order to superconductivity. By introducing magnetic ions into 2H-NbS$_2$, the material forms a family of magnetic intercalated TMDCs T$_x$NbS$_2$ (T = 3d transition metal). Recently, Fe$_{1/3+delta}$NbS$_2$ has been found to possess intriguing resistance switching and magnetic memory effects coupled to the N{e}el temperature of T$_N sim 45$ K [1,2]. We present comprehensive single crystal neutron diffraction measurements on under-intercalated ($delta sim -0.01$), stoichiometric, and over-intercalated ($delta sim 0.01$) samples. Magnetic defects are usually considered to suppress magnetic correlations and, concomitantly, transition temperatures. Instead, we observe highly tunable magnetic long-ranged states as the Fe concentration is varied from under-intercalated to over-intercalated, that is from Fe vacancies to Fe interstitials. The under- and over- intercalated samples reveal distinct antiferromagnetic stripe and zig-zag orders, associated with wave vectors $k_1$ = (0.5, 0, 0) and $k_2$ = (0.25, 0.5, 0), respectively. The stoichiometric sample shows two successive magnetic phase transitions for these two wave vectors with an unusual rise-and-fall feature in the intensities connected to $k_1$. We ascribe this sensitive tunability to the competing next nearest neighbor exchange interactions and the oscillatory nature of the Ruderman-Kittel-Kasuya-Yosida (RKKY) mechanism. We discuss experimental observations that relate to the observed intriguing switching resistance behaviors. Our discovery of a magnetic defect tuning of the magnetic structure in bulk crystals Fe$_{1/3+delta}$NbS$_2$ provides a possible new avenue to implement controllable antiferromagnetic spintronic devices.
Growth of two-dimensional van der Waals layered single-crystal (SC) films is highly desired to manifest intrinsic material sciences and unprecedented devices for industrial applications. While wafer-scale SC hexagonal boron nitride film has been successfully grown, an ideal growth platform for diatomic transition metal dichalcogenide (TMdC) film has not been established to date. Here, we report the SC growth of TMdC monolayers in a centimeter scale via atomic sawtooth gold surface as a universal growth template. Atomic tooth-gullet surface is constructed by the one-step solidification of liquid gold, evidenced by transmission-electron-microscopy. Anisotropic adsorption energy of TMdC cluster, confirmed by density-functional calculations, prevails at the periodic atomic-step edge to yield unidirectional epitaxial growth of triangular TMdC grains, eventually forming the SC film, regardless of Miller indices. Growth using atomic sawtooth gold surface as a universal growth template is demonstrated for several TMdC monolayer films, including WS2, WSe2, MoS2, MoSe2/WSe2 heterostructure, and W1-xMoxS2 alloy. Our strategy provides a general avenue for the SC growth of diatomic van der Waals heterostructures in a wafer scale, to further facilitate the applications of TMdCs in post silicon technology.
When exploring new materials for their potential in (opto)electronic device applications, it is important to understand the role of various carrier interaction and scattering processes. Research on transition metal dichalcogenide (TMD) semiconductors has recently progressed towards the realisation of working devices, which involve light-emitting diodes, nanocavity lasers, and single-photon emitters. In these two-dimensional atomically thin semiconductors, the Coulomb interaction is known to be much stronger than in quantum wells of conventional semiconductors like GaAs, as witnessed by the 50 times larger exciton binding energy. The question arises, whether this directly translates into equivalently faster carrier-carrier Coulomb scattering of excited carriers. Here we show that a combination of ab-initio band-structure and many-body theory predicts carrier relaxation on a 50-fs time scale, which is less than an order of magnitude faster than in quantum wells. These scattering times compete with the recently reported sub-ps exciton recombination times, thus making it harder to achieve population inversion and lasing.
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