Dielectric Tensor Research Articles

Deep learning of spectra: Predicting the dielectric function of semiconductors

Predicting spectra and related properties such as the dielectric function of crystalline materials based on machine learning has a huge, hitherto unexplored, technological potential. For this reason, we create an database of 9915 dielectric tensors of semiconductors and insulators calculated in the independent-particle approximation (IPA). In addition, we present the family of machine learning models, a series of graph attention neural networks (GAT) trained to predict the dielectric function and refractive index. yields accurate prediction of spectra of semiconductors using only their crystal structure. Smooth, artifact-free curves are obtained without these properties being enforced by penalties. Published by the American Physical Society 2024

Dielectric tensor prediction for inorganic materials using latent information from preferred potential

Dielectrics are crucial for technologies like flash memory, CPUs, photovoltaics, and capacitors, but public data on these materials are scarce, restricting research and development. Existing machine learning models have focused on predicting scalar polycrystalline dielectric constants, neglecting the directional nature of dielectric tensors essential for material design. This study leverages multi-rank equivariant structural embeddings from a universal neural network potential to enhance predictions of dielectric tensors. We develop an equivariant readout decoder to predict total, electronic, and ionic dielectric tensors while preserving O(3) equivariance, and benchmark its performance against state-of-the-art algorithms. Virtual screening of thermodynamically stable materials from Materials Project for two discovery tasks, high-dielectric and highly anisotropic materials, identifies promising candidates including Cs2Ti(WO4)3 (band gap Eg = 2.93eV, dielectric constant ε = 180.90) and CsZrCuSe3 (anisotropic ratio αr = 121.89). The results demonstrate our model’s accuracy in predicting dielectric tensors and its potential for discovering novel dielectric materials.

The Interplay between Dynamics and Structure on the Dielectric Tensor of Nanoconfined Water: Surface Charge and Salinity Effect.

Under confinement, the water dielectric constant is a second-order tensor with an abnormally low out-of-plane element. In our work, we investigate the dielectric tensor of an aqueous NaCl solution confined by a quartz slit-pore. The static dielectric constant is determined from local polarization density fluctuations via molecular dynamics simulations. In a pioneering investigation, we evaluate not only the effect of salinity but also surface charge. The parallel dielectric constant decreases with salinity due to dielectric saturation. From a dynamic perspective, the relaxation of water dipoles is slower within the hydration shells of ions. An anisotropic arrangement on the quartz surface results in preferred orientations of interfacial water molecules. By embedding charge, the surface structure changes, and extra dipole fluctuations in one direction may develop anisotropy in the parallel dielectric constant at the interface. Both surface charge and salinity increase the perpendicular dielectric constant. Nevertheless, the surface charge effect is more pronounced and may even recover the bulk dielectric constant value. The electric field established by the charged surface may disturb the planar hydrogen bond network at the interface, increasing out-of-plane dipolar fluctuations. Our work advances the knowledge of confined dielectric behavior, shedding light on the key role that charged surfaces play.

RASCBEC: Raman spectroscopy calculation via born effective charge

We present a reformulated algorithm for ab initio calculations of Raman spectra for large systems by applying an external electric field, and complement it by a code implementation we name RASCBEC. With the RASCBEC code, we have successfully benchmark crystalline materials and compute Raman spectra of large molecules, and amorphous oxides. Our results demonstrate a remarkable level of agreement with the results from other commonly used codes as well as the experimental data. The electric field approach for Raman spectra calculation is designed to overcome the computational challenges associated with the conventional method, which requires calculating the macroscopic dielectric tensor at numerous molecular geometries. This approach is favored because it can significantly reduce computational time. We reformulated this method by obtaining the Raman intensity from the first-order derivative of the Born Effective Charge (BEC), which is computed directly from vasp (the Vienna Ab Initio Simulation Package). This differs from other electric field-based methods that calculate Raman intensities as the second-order derivative of force with respect to the electric field. By reducing the order of derivatives, we can avoid numerical noise and accuracy concerns. Additionally, since forces are often very small numbers, taking the derivative of BEC is numerically more stable, allowing our method to be applied to a broader range of material parameters. This advantage makes RASCBEC particularly beneficial for large molecules and extensive amorphous systems.

Electronic and optical properties of Cr-Mn co-doped in monolayer MoS2: A first-principles study

The effects of Cr-Mn co-doping of neighboring and spacer sites on the electronic and optical properties of monolayer molybdenum disulfide (ML-MoS2) are investigated using a first-principles plane-wave pseudopotential method based on density-functional theory (DFT). The results show that the band structure (BS) and the bandgap of pristine ML-MoS2 are in good agreement with the available experimental and theoretical data. Electronic analysis implies that the bandgap of Cr-Mn co-doped ML-MoS2 is smaller than that of the pristine ML-MoS2 and the bandgap of Cr-Mn co-doped ML-MoS2 at spacer sites is the smallest. Moreover, the ML-MoS2 changes from a direct bandgap to an indirect bandgap semiconductor, which facilitates electron-hole pair transfer. In addition, pristine ML-MoS₂ has no magnetism, while Cr-Mn co-doped ML-MoS2 at neighboring and spacer sites present ferromagnetism. Studies of optical properties have shown that doped ML-MoS2 systems, especially Cr-Mn co-doped at spacer sites, exhibit higher sensitivity to visible and ultraviolet (UV) light along the x-axis as well as to UV light along the z-axis. This suggests the possibility of applications in photodetectors, solar cells, and photocatalysis. It is noteworthy that Cr-Mn co-doping at the spacer sites significantly improves the photovoltaic performance and light utilization efficiency of ML-MoS2 by increasing the dielectric tensor, absorption coefficient, and photoconductivity while decreasing the extinction coefficient compared with pristine ML-MoS2.

Electronic and Optical Properties of 2D Heterostructure Bilayers of Graphene, Borophene and 2D Boron Carbides from First Principles.

In the present work the atomic, electronic and optical properties of two-dimensional graphene, borophene, and boron carbide heterojunction bilayer systems (Graphene-BC3, Graphene-Borophene and Graphene-B4C3) as well as their constituent monolayers are investigated on the basis of first-principles calculations using the HSE06 hybrid functional. Our calculations show that while borophene is metallic, both monolayer BC3 and B4C3 are indirect semiconductors, with band-gaps of 1.822 eV and 2.381 eV as obtained using HSE06. The Graphene-BC3 and Graphene-B4C3 bilayer heterojunction systems maintain the Dirac point-like character of graphene at the K-point with the opening of a very small gap (20-50 meV) and are essentially semi-metals, while Graphene-Borophene is metallic. All bilayer heterostructure systems possess absorbance in the visible region where the resonance frequency and resonance absorption peak intensity vary between structures. Remarkably, all heterojunctions support plasmons within the range 16.5-18.5 eV, while Graphene-B4C3 and Graphene-Borophene exhibit a π-type plasmon within the region 4-6 eV, with the latter possessing an additional plasmon at the lower energy of 1.5-3 eV. The dielectric tensor for Graphene-B4C3 exhibits complex off-diagonal elements due to the lower P3 space group symmetry indicating it has anisotropic dielectric properties and could exhibit optically active (chiral) effects. Our study shows that the two-dimensional heterostructures have desirable optical properties broadening the potential applications of the constituent monolayers.

Investigation of the structural, electronic, magnetic, and optical properties of the double perovskite oxide semiconductor La2NiMnO6: Ab initio calculations by using GGA-PBE and GGA + mBJ approximations

In this paper, we examined the La2NiMnO6 double perovskite oxide semiconductor materials, our treatment included the structural, electronic, magnetic, and optical characteristics by utilizing the density functional theory, which was performed in the Wien2k software. The exchange–correlation potential was carried out in combination with the GGA-PBE (Perdew Burke Ernzerhof Generalized Gradient Approximation), and GGA + mBJ (modified Becke and Johnson) was used for the exchange–correlation potentials. The results suggest that the compound La2NiMnO6 exhibits in a ferrimagnetic state. It was also found that the stable ground state of the compound is ferrimagnetic. The results demonstrate that La2NiMnO6 has a band gap whose spin-up value is 0 eV and spin-down (dn) value is 2.86 eV (GGA-PBE), with up values is 0 eV and dn value being of 3 eV (GGA + mBJ). We also explored different optical properties, among them electron energy loss, absorption coefficient, real and imaginary dielectric tensor, and real and imaginary optical conductivity.

Self-consistent modelling of radio frequency sheath in 3D with realistic ICRF antennas

Abstract Ion Cyclotron Resonant Frequency (ICRF) induced impurity production has raised many concerns since ITER proposed to change the first wall material from beryllium to tungsten. Enhanced DC plasma potential (VDC) due to RF sheath rectification is well known as one of the most important mechanisms behind the RF induced impurities. Our previous work (L. Lu et.al, Plasma Phys. Control. Fusion 60 (2018) 035003) considered the impact of both the slow wave and the fast wave on the RF sheath rectification in a 2D geometry. It can barely recover the double-hump structure of the VDC poloidal distribution observed in various machines when only the slow wave is modelled using the multi-2D approach which intrinsically assumes the poloidal wavenumber kz is zero. The fast wave on the other hand is found to be more sensitive to a finite kz and may need to be tackled in 3D. This work reports our recent progress on the 3D RF sheath modelling. In this new code, the latest RF sheath boundary conditions (J. R. Myra, J. Plasma Phys. 87 (2021) 905870504) and the realistic 3D ICRF antennas are implemented. Compared to the 2D results, the 3D code could well recover the double-hump poloidal distribution of VDC even with the fast wave included, which confirms our speculation on the necessity of treating the fast wave in 3D. While the double-hump pattern is robust in the simulation, the amplitude of VDC is found to be affected by the magnetic tilt angle and the antenna geometry. This emphasizes the importance of adopting a realistic antenna geometry in the RF sheath modelling. The double-hump VDC poloidal structure breaks as the magnetic tilt angle increases. This is explained by the gyrotropic property of the cold plasma dielectric tensor. The spatial proximity effect we identified in the previous 2D simulations is still valid in 3D. Finally, simulation shows the slow wave dominates the RF sheath excitation in the private SOL, while the fast wave gradually takes over when moving to the far SOL region. This code could be a new tool to provide numerical support for ITER impurity assessment and ICRF antenna design.

Study of the physical properties of the half-heusler XBrH with (X= sr, Ca and mg) compounds

Half-Heusler alloys are among the most promising thermoelectric materials for medium- and high-temperature waste heat recovery applications. This study investigates the physical properties of Half-Heusler compounds XBrH, with X = Sr, Ca, and Mg. We explored the structural, electronic, optical, and thermoelectric properties of these compounds using density functional theory (DFT) as implemented in the Wien2k package. The Generalized Gradient Approximation (GGA) as proposed by Perdew-Burke-Ernzerhof (PBE) and the modified Becke-Johnson (mBJ) functional were employed to calculate the exchange-correlation interactions. After doing structural optimization for a range of parameters, we discovered that the SrBrH compound is more stable than the CaBrH and MgBrH compounds. Our results show that the density of state calculations indicate semiconductor behavior for the XBrH with (X = Sr, Ca, and Mg) compounds. We also evaluated the real and imaginary parts of the dielectric tensor, the refractive index, the absorption coefficient, the electron energy loss, and the real and imaginary components of the optical conductivity, among other optical parameters. Additionally, we investigated the figure of merit (ZT), electronic and lattice thermal conductivity, Seebeck coefficient, and electrical conductivity. The MgBrH, CaBrH and SrBrH compounds showed p-type behavior, with positive values for the Seebeck coefficient and the greatest value of ≈180 μV/K, according to the thermoelectric data. At 1000 K, the ZT reach their highest values for CaBrH, SrBrH, and MgBrH, respectively, at 2.9, 2.8, and 0.9. The physical properties of the XBrH with (X = Sr, Ca, and Mg) compounds have been studied in detail.

Constraining the value of the dielectric constant of the ferroelectric nematic phase.

Ferroelectric nematic liquid crystals are currently being subject to a plethora of investigations since they are of great fundamental interest and could potentially foster promising applications. However, many basic aspects are still poorly understood, among which the problem of the dielectric constant stands out. Ferroelectric nematics have previously been reported to exhibit giant dielectric constants whose value depends on the thickness of the measurement cell, claims that have recently been shown to be the result of an incorrect interpretation of the experimental data. The intrinsic permittivity of these materials has not been determined yet. In this work, we tackle this problem by modeling the dielectric response of the liquid crystal filled cell through an equivalent circuit proposed by Clark et al. [Phys. Rev. Res. 6, 013195 (2024)2643-156410.1103/PhysRevResearch.6.013195] accounting for polarization reorientation and the effect of insulating interfacial layers. We arrive at the conclusion that the perpendicular component of the permittivity ɛ_{⊥} is of the order of 10 in the prototypical ferroelectric nematogen DIO, while the parallel component ɛ_{∥} is of the order of 150. In this way, the dielectric tensor of DIO has been fully determined.

In-plane and out-of-plane anisotropy in the optical and dielectric properties of YBa2Cu3O7-x superconducting film

YBa2Cu3O7-x (YBCO) is a crucial aspect of research in the field of superconducting applications, where its high anisotropy is generally undesirable in strong power transmission. However, from a dialectical perspective, a thorough investigation of material anisotropy can offer an additional degree of freedom to tune potential properties and design innovative devices. This work employed pulsed laser deposition to fabricate a high-quality YBCO thin film (Tc = 89 K) and used the Mueller matrix spectroscopic ellipsometer (MMSE) to determine the complete dielectric tensor of the YBCO film across the ultraviolet to near-infrared spectrum (245–1000 nm), enabling a comprehensive, quantitative study of the optical anisotropy of YBCO. It provided optical constants and dielectric function spectra for different axes. We found that YBCO exhibits birefringence and dichroism both in-plane and out-of-plane. By combining standard critical point (SCP) analysis and first-principles calculations, we identified specific interband transitions related to SCP in the YBCO dielectric spectra, revealing the physical essence of anisotropic optical transitions from a quantum mechanical standpoint. Temperature-dependent studies of the transitions and optical constants were conducted. The work fills a partial void in the optical parameters of the anisotropy of YBCO and holds relevance for understanding the origins of copper-based high-temperature superconductivity.

A DFT study of the CaMg2As2 material for photovoltaic applications

The research focused on investigating the structural, elastic, electronic, optical, and thermoelectric characteristics of the CaMg2As2 compound. To inspect these properties, the density functional theory (DFT) method has been applied via the Wien2K code. The electronic analysis revealed that the CaMg2As2 compound demonstrates semiconductor behavior with an indirect band gap of 1.781 eV. Additionally, its elastic properties were examined, revealing a 1.980 % AVR, indicating a variation in elasticity depending on the direction of load or stress applied. We have also studied various optical properties of CaMg2As2, including the refractive index, extinction coefficient, electron energy loss, dielectric tensor, and optical conductivity. the absorption coefficient value is zero for energy levels below 2.60 eV, meaning there is no energy absorption by the material at lower energy levels. However, as the energy surpasses 2.60 eV, the absorption coefficient increases and shows multiple peaks. This signifies that as the incident radiation's energy increases, the material starts absorbing more energy at specific energy levels. In addition, one significant finding is that the thermal conductivity of the lattice (κL) in CaMg2As2 decreases exponentially as the temperature rises. This means that as the material gets hotter, its ability to conduct heat becomes less effective. In simple terms, the material becomes less efficient at transferring heat at higher temperatures. These findings suggest that CaMg2As2 has potential as a thermoelectric material with interesting properties that deserve further investigation.

Programmable Carbon Nanotube Networks: Controlling Optical Properties Through Orientation and Interaction.

The lattice geometry of natural materials and the structural geometry of artificial materials are crucial factors determining their physical properties. Most materials have predetermined geometries that lead to fixed physical characteristics. Here, the demonstration of a carbon nanotube network serves as an example of a system with controllable orientation achieving on-demand optical properties. Such a network allows programming their optical response depending on the orientation of the constituent carbon nanotubes and leads to the switching of its dielectric tensor from isotropic to anisotropic. Furthermore, it also allows for the achievement of wavelength-dispersion for their principal optical axes - a recently discovered phenomenon in van der Waals triclinic crystals. The results originate from two unique carbon nanotubes features: uniaxial anisotropy from the well-defined cylindrical geometry and the intersection interaction among individual carbon nanotubes. The findings demonstrate that shaping the relative orientations of carbon nanotubes or other quasi-one-dimensional materials of cylindrical symmetry within a network paves the way to a universal method for the creation of systems with desired optical properties.

Efficient determination of Born-effective charges, LO-TO splitting, and Raman tensors of solids with a real-space atom-centered deep learning approach

We introduce a deep neural network (DNN) framework called the Real-space Atomic Decomposition NETwork (radnet), which is capable of making accurate predictions of polarization and of electronic dielectric permittivity tensors in solids and aims to address limitations of previously available machine learning models for Raman predictions in periodic systems. This framework builds on previous, atom-centered approaches while utilizing deep convolutional neural networks. We report excellent accuracies on direct predictions for two prototypical examples: GaAs and BN. We then use automatic differentiation to efficiently calculate the Born-effective charges, longitudinal optical-transverse optical (LO-TO) splitting frequencies, and Raman tensors of these materials. We compute the Raman spectra, and find agreement with ab initio results. Lastly, we explore ways to generalize the predictions of polarization while taking into account periodic boundary conditions and symmetries.

Second-harmonic generation tensors from high-throughput density-functional perturbation theory

Optical materials play a key role in enabling modern optoelectronic technologies in a wide variety of domains such as the medical or the energy sector. Among them, nonlinear optical crystals are of primary importance to achieve a broader range of electromagnetic waves in the devices. However, numerous and contradicting requirements significantly limit the discovery of new potential candidates, which, in turn, hinders the technological development. In the present work, the static nonlinear susceptibility and dielectric tensor are computed via density-functional perturbation theory for a set of 579 inorganic semiconductors. The computational methodology is discussed and the provided database is described with respect to both its data distribution and its format. Several comparisons with both experimental and ab initio results from literature allow to confirm the reliability of our data. The aim of this work is to provide a relevant dataset to foster the identification of promising nonlinear optical crystals in order to motivate their subsequent experimental investigation.

The super raman intensity induced by spin-orbit coupling effect in monolayer MoS2 and WS2 under varying pressures

Transition metal dichalcogenides (TMDs) are regarded as an optimal material for investigating the quantum effect of Spin-orbit coupling (SOC). Although many experiments have measured the physical properties of TMDs materials, the influence of the SOC effect on these properties cannot be determined. Here, we selected monolayer MoS2 and WS2 to investigate their physical properties in both the normal and SOC systems under varying pressures. By comparing the calculated results, the SOC effect significantly influences the effective mass of electrons and holes in the material, it determines the conductive properties of the material. This effect exerts a major influence on the dielectric properties of the material, and also enhances the polarization rate. Meanwhile, we have revised the traditional formula for calculating the raman intensity of symmetric dielectric tensors. The discovery of the super raman intensity effect of TMDs materials induced by the SOC effect has been made. Furthermore, we have discovered and explained how to modulate the TMDs materials in the visible light range to transition into a plasma state at specific wavelengths under pressure, and also reveal the influence of pressure on the strength of characteristic raman modes. The findings of this study provide pioneering theoretical support for the realization of the super raman intensity effect through the quantum effect and pressure manipulation of materials into a plasma state.

First principle investigations of opto-electronic and thermoelectric response of A2TlAsX6 (A = K, Rb; X = Cl, Br) compounds

We have investigated the structural, electronic, optical, and thermoelectric behavior of halide-based double perovskites A2TlAsX6 (A = K, Rb; X = Cl, Br) compounds to reveal their potential in various opto-electronic and thermoelectric applications using first-principle calculations. For the computation of the various properties of A2TlAsX6 (A = K, Rb; X = Cl, Br) compounds, we have used approximations available within density functional theory (DFT). The energy bands and density of states have been used to elucidate the electronic response of the studied compounds, while the interpretation of optical properties is presented in terms of dielectric tensor, absorption coefficient, reflectivity, refraction and energy loss spectra. The investigated compounds exhibit a direct band gap within the energy range of 1.36 to 2.24 eV, indicating the promising nature of these compounds for diverse optoelectronic applications. Moreover, thermoelectric properties such as the figure of merit, power factor, Seebeck coefficient, specific heat, electric and thermal conductivity have also been computed for the studied compounds. Our investigation unveils the remarkable optoelectronic characteristics of the studied perovskites, which can be attributed to their advantageous bandgap and highly effective light absorption capabilities. Furthermore, these perovskites showcase exceptional thermodynamic stability, elevated electrical conductivity, favorable figure of merit (ZT) values, and reduced thermal conductivities. These findings suggest their suitability for applications in optoelectronic devices and thermoelectric applications. In this study, it is found that A2TlAsBr6 compounds exhibit significant absorption in the visible spectrum, rendering them more favorable for optoelectronic applications compared to A2TlAsCl6 compounds. Conversely, for thermoelectric applications, the Cl-based perovskites studied show greater promise than their Br-based counterparts. The modified Becke–Johnson (mBJ) potential emerges as the most precise approach for analyzing the electronic, optical, and thermoelectric characteristics of A2TlAsX6 (where A = K, Rb; X = Cl, Br) perovskites, surpassing other approximations utilized in present study.

Unveiling the potential of CuAlxGa1−xSe2 (x = 0.25) chalcopyrite as absorbent for photovoltaic application: first-principles insights into the structural, elastic, mechanical, electronic, thermodynamic and optical properties

This study explores the structural, elastic, mechanical, electronic, and optical properties of CuAlxGa1−xSe2 (x = 0.25) chalcopyrite, a crucial material in photovoltaic cells. Utilizing type II-IV-V2 chalcopyrite, widely employed in high-efficiency solar cell production, we employ first-principles calculations with Tran–Blaha-modified Becke–Johnson exchange potential techniques. We aim to determine the band gap and optical properties to understand the compound’s morphology, crucial for solar cell development. Results show CuAlxGa1−xSe2 as a 1.36 eV direct band gap semiconductor. Optical characteristics, including dielectric tensor components and absorption coefficient, are calculated to assess its suitability for solar cell applications. Predictions of Young’s modulus E, Poisson’s ratio ν, bulk B, and shear G moduli provide insight into the crystal’s mechanical behavior. Additionally, phonon, dynamical stability, and thermodynamic properties are discussed, shedding light on the material’s potential in photovoltaic technology.

New insights into the bonding, electronic and optical properties of fergusonite and scheelite ReNbO4 (Re = Y, La and Lu) compounds

A systematic study of the structural, bonding, electronic, and optical properties of the ReNbO4 (Re = Y, La, and Lu) compounds with the fergusonite (space group I/2a) and scheelite (space group I41/a) structure was performed using density functional theory calculations. The aim of these calculations was to resolve some doubt about these properties for the fergusonite phase and to fill the existing knowledge gap for the scheelite phase. To carry out geometry optimization, the generalized gradient approximation for solids was used. Based on these optimized crystal structures, the bonding, electronic and optical properties were determined using the modified Becke and Johnson exchange potential. An analysis of the bonds between Nb and O atoms showed that Nb atoms in the fergusonite structure of the rare-earth niobates were octahedrally coordinated to oxygen atoms, unlike in the scheelite phase, which had tetrahedral coordination. The calculated values of the direct energy band gap for the fergusonite YNbO4, LaNbO4 and LuNbO4 compounds were 4.435, 4.427 and 4.431 eV, respectively. The optical spectrum for these systems is characterized by a small exciton binding energy, which affects the experimental prediction of the energy band gap when the Tauc plot method is used. The values for the energy band gap in the scheelite phase were 4.625 eV for YNbO4, 4.844 eV for LaNbO4 and 4.611 eV for LuNbO4 and all were indirect. The real and imaginary parts of the dielectric tensor were computed up to 25 eV for both phases, and were interpreted based on their electronic structure. The lower energy regions of the optical spectra of these systems are mainly due to electronic transitions within the NbO6 polyhedron (for the fergusonite phase) and the NbO4 polyhedron (for the scheelite phase), i.e., electronic transitions from the occupied O-2p states at the top of the valence band to the unoccupied Nb-4d states at the bottom of the conduction band.

An insight into the magneto-refractive effects of terbium-doped silica optical fibers used in magnetic field sensors

In this study, the magneto-refractive effect (MRE) of a terbium-doped fiber (TDF) that can be employed for magnetic field sensing was investigated. A microscopic model of a terbium doped magneto-refractive silica fiber was proposed, and the relationship between the refractive index (RI) of the fiber and its magnetic field was numerically studied. The MRE of the TDF was then characterized using an electronic holographic magneto-refractive measuring system. The characterization results showed that the RI of the TDF increased linearly at a rate of 2.13 × 10−5 RIU/mT as the magnetic field intensity increased from 0 to 10 mT. An all-solid-state magneto-refractive measurement system based on a fiber-optic Sagnac interferometer was designed for magnetic field sensing, which linearly responded to the applied magnetic field. The relationship between the dielectric tensor and magnetic moment of the fiber was analyzed. Based on the finite difference algorithm, the change in the RI and dielectric tensor of the optical fiber under a magnetic field was simulated. Results indicated that the proposed fiber has potential use in high-sensitive magnetic field sensing applications.