No Arabic abstract
By using angle-resolved photoemission spectroscopy (ARPES), the variation of the electronic structure of HfSe$_2$ has been studied as a function of sodium intercalation. We observe how this drives a band splitting of the p-orbital valence bands and a simultaneous reduction of the indirect band gap by values of up to 400 and 280 meV respectively. Our calculations indicate that such behaviour is driven by the band deformation potential, which is a result of our observed anisotropic strain induced by sodium intercalation. The applied uniaxial strain calculations based on density functional theory (DFT) agree strongly with the experimental ARPES data. These findings should assist in studying the physical relationship between doping and strain, as well as for large-scale two-dimensional straintronics.
We have performed angle-resolved photoemission spectroscopy on transition-metal dichalcogenide 1$T$-HfTe$_2$ to elucidate the evolution of electronic states upon potassium (K) deposition. In pristine HfTe$_2$, an in-plane hole pocket and electron pockets are observed at the Brillouin-zone center and corner, respectively, indicating the semimetallic nature of bulk HfTe$_2$, with dispersion perpendicular to the plane. In contrast, the band structure of heavily K-dosed HfTe$_2$ is obviously different from that of bulk, and resembles the band structure calculated for monolayer HfTe$_2$. It was also observed that lightly K-dosed HfTe$_2$ is characterized by quantized bands originating from bilayer and trilayer HfTe$_2$, indicative of staging. The results suggest that the dimensionality-crossover from 3D (dimensional) to 2D electronic states due to systematic K intercalation takes place via staging in a single sample. The study provides a new strategy for controlling the dimensionality and functionality of novel quantum materials.
The electronic structure of bulk GaAs$_{1-x}$Bi$_x$ systems for different atomic configurations and Bi concentrations is calculated using density functional theory. The results show a Bi-induced splitting between the light-hole and heavy-hole bands at the $Gamma$-point. We find a good agreement between our calculated splittings and experimental data. The magnitude of the splitting strongly depends on the local arrangement of the Bi atoms but not on the uni-directional lattice constant of the supercell. The additional influence of external strain due to epitaxial growth on GaAs substrates is studied by fixing the in-plane lattice constants.
We use a recently developed self-consistent GW approximation to present first principles calculations of the conduction band spin splitting in GaAs under [110] strain. The spin orbit interaction is taken into account as a perturbation to the scalar relativistic hamiltonian. These are the first calculations of conduction band spin splitting under deformation based on a quasiparticle approach; and because the self-consistent GW scheme accurately reproduces the relevant band parameters, it is expected to be a reliable predictor of spin splittings. We also discuss the spin relaxation time under [110] strain and show that it exhibits an in-plane anisotropy, which can be exploited to obtain the magnitude and sign of the conduction band spin splitting experimentally.
The element-specific technique of x-ray magnetic circular dichroism (XMCD) is used to directly determine the magnitude and character of the valence band orbital magnetic moments in (III,Mn)As ferromagnetic semiconductors. A distinct dichroism is observed at the As K absorption edge, yielding an As 4p orbital magnetic moment of around -0.1 Bohr magnetons per valence band hole. This is strongly influenced by strain, indicating its crucial influence on the magnetic anisotropy. The dichroism at the Ga K edge is much weaker. The K edge XMCD signals for Mn and As both have positive sign, which indicates the important contribution of Mn 4p states to the Mn K edge spectra.
Synchrotron-based angle-resolved photoemission spectroscopy is used to determine the electronic structure of layered SnSe, which was recently turned out to be a potential thermoelectric material. We observe that the top of the valence band consists of two nearly independent hole bands, whose tops differ by ~20 meV in energy, indicating the necessity of a multivalley model to describe the thermoelectric properties. The estimated effective masses are anisotropic, with in-plane values of 0.16-0.39 m$_0$ and an out-of-plane value of 0.71 m$_0$, where m$_0$ is the rest electron mass. Information of the electronic structure is essential to further enhance the thermoelectric performance of hole-doped SnSe.