Hyperbolic materials are receiving significant attention due to their ability to support electromagnetic fields with arbitrarily high momenta and, hence, to achieve very strong light confinement. Here, based on first-principles calculations and many-
body perturbation theory, we explore the characteristic of two-dimensional plasmon modes and its hyperbolic properties for two phases of single layer boron hosting tilted Dirac cone, namely, the $hr$-$sB$ and $8Pmmn$ borophene. In-plane anisotropy in borophene is manifested in the structural, electronic, vibrational and optical properties. We find two hyperbolic regimes for both phases of borophene, where the high-energy one is located in the visible range. The $hr$-$sB$ borophene is characterised with an intrinsic high carrier density and it supports strong hyperbolic plasmon modes in the visible part of the spectrum. The $8Pmmn$ borophene, on the other hand, resembles the prototypical Dirac material graphene, and upon carrier doping acquires anisotropic Dirac plasmons in the mid-infrared. We have also investigated the impact of the electron-phonon coupling and Landau damping on these hyperbolic plasmon modes. Our results show that borophene, having high anisotropy, intrinsic high carrier concentration, low-loss hyperbolic Dirac plasmon modes, and high confinement can represent a promising candidate for low-loss broad band surface plasmon polariton devices.
Natural hyperbolic two-dimensional systems are a fascinating class of materials that could open alternative pathways to the manipulation of plasmon propagation and light-matter interactions. Here, we present a comprehensive study of the optical respo
nse in T$_d,$-WTe$_2$ by means of density-functional and many-body perturbation theories. We show how monolayer WTe$_2$ with in-plane anisotropy sustains hyperbolic plasmon polaritons, which can be tuned via chemical doping and strain. The latter is able to extend the hyperbolic regime toward the near infrared with low losses. Moreover, with a moderate strain, WTe$_2$ can even be switched between elliptic and hyperbolic regimes. In addition, plasmons in WTe$_2$ are characterized by low losses owing to electron-phonon scattering, which is responsible for the temperature dependence of the plasmon line width. Interestingly, the temperature can also be utilized to tune the in-plane anisotropy of the WTe$_2$ optical response.
We investigate the impact of mechanical strains and a perpendicular electric field on the electronic and magnetic ground-state properties of two-dimensional monolayer CrI$_3$ using density functional theory. We propose a minimal spin model Hamiltonia
n, consisting of symmetric isotropic exchange interactions, magnetic anisotropy energy, and Dzyaloshinskii-Moriya (DM) interactions, to capture most pertinent magnetic properties of the system. We compute the mechanical strain and electric field dependence of various spin-spin interactions. Our results show that both the amplitudes and signs of the exchange interactions can be engineered by means of strain, while the electric field affects only their amplitudes. However, strain and electric fields affect both the directions and amplitudes of the DM vectors. The amplitude of the magnetic anisotropy energy can also be substantially modified by an applied strain. We show that in comparison with an electric field, strain can be more efficiently used to manipulate the magnetic and electronic properties of the system. Notably, such systematic tuning of the spin interactions is essential for the engineering of room-temperature spintronic nanodevices.
The effects of spin-orbit (SOC) and electron-phonon coupling on the collective excitation of doped monolayer Sb$_2$ are investigated using density functional and many-body perturbation theories. The spin-orbit coupling is exclusively important for th
e monolayer Sb$_2$ and it leads to the reconstruction of the electronic band structure. In particular, plasmon modes of monolayer Sb$_2$ are quite sensitive to the SOC and are characterized by very low damping rates owing to small electron-phonon scatterings. Our results show plasmons in antimonene are significantly less damped compared to monolayer graphene when plasmon energies are $hbar omega> 0.2$ eV due to smaller plasmon-phonon coupling in the former material.
Collective modes of doped two-dimensional crystalline materials, namely graphene, MoS$_2$ and phosphorene, both monolayer and bilayer structures, are explored using the density functional theory simulations together with the random phase approximatio
n. The many-body dielectric functions of the materials are calculated using an {it ab initio} based model involving material-realistic physical properties. Having calculated the electron energy-loss, we calculate the collective modes of each material considering the in-phase and out-of-phase modes for bilayer structures. Furthermore, owing to many band structures and intreband transitions, we also find high-energy excitations in the systems. We explain that the material-specific dielectric function considering the polarizability of the crystalline material such as MoS$_2$ are needed to obtain realistic plasmon dispersions. For each material studied here, we find different collective modes and describe their physical origins.
