Band Electron Density Research Articles

Detailed DFT based exploration on spin-gapless features of IrCoNbX (X=Al, Ga, In) alloys

An investigation has been conducted on the spin-polarized structural, electronic, charge transfer, −COHP and magnetic behaviour of IrCoNbX (X=Al, Ga, In) alloys. To corroborate the studied properties the generalized gradient approximation (GGA), modified Becke Johnson (mBJ) and DFT+U schemes within the framework of density functional theory. The structures found comparatively more stable in spin-polarized phase than non-spin polarized phase. Based on electronic band structure and electronic density of states’ analysis IrCoNbX alloys have demonstrated spin-gapless features in spin ↑ channel and semiconducting characteristics in spin ↓ channel. The −COHP examination revealed that Nb-Ir pair exhibited significantly stronger bonding interaction in comparison to XCo (XAl, Co, In, Nb) bonding pairs in IrCoNbX alloys. Each of the studied alloys manifested an integer value of the total magnetic moment of 2.0 μB/f.u under mBJ scheme. The findings of current study proposed the experimental investigation of these alloys for potential applications in spintronics field.

Crystal structure and microwave dielectric properties of BaZn(1-x)CoxP2O7 ceramics

BaZn(1-x)CoxP2O7 (0 ≤x≤ 0.125) ceramics were synthesized using the solid-state reaction method, with sintering temperatures ranging from 875 °C to 975 °C. The study systematically investigated the phase composition, crystal structure, and microstructure of the ceramics, and correlated these characteristics with their dielectric properties. Additionally, density functional theory (DFT) was employed to examine the energy band structure, electron density, and density of states of the materials. The dielectric constant εr values were primarily influenced by polarizability, while the Q × f values of BaZn(1-x)CoxP2O7 ceramics were predominantly affected by the packing fraction and full width at half maximum (FWHM). The temperature coefficient of resonant frequency was influenced by a decrease in bond valence and an increase in PO4 tetrahedral distortion. Notably, the BaZn0.975Co0.025P2O7 ceramic demonstrated promising microwave dielectric properties, with εr = 8.15, Q × f = 42,431 GHz, and τf = −27.5 ppm/°C, when sintered at 950 °C for 4 h.

Investigating the impact of atomic positional variations on crystal magnetism: Insights from B2 crystal structure

Grounded in research on B2 crystal structures, this study systematically substitutes the central 8 atoms with non-metallic Si atoms and metallic Fe atoms, exploring the resulting impacts on stress, magnetism, and energy across the entire crystal lattice. The positional permutations of these atoms are meticulously examined to elucidate their influence. Additionally, alterations in crystal parameters are analyzed through the lenses of energy band distribution and electronic density of states. Findings underscore that substituting non-metallic Si atoms with metallic Fe counterparts significantly increases stress, magnetism, and energy levels throughout the crystal lattice. Moreover, a positive correlation emerges between the quantity of replacements and the resulting stress levels, magnetic intensity, and energy. The arrangement of atoms demonstrates a substantial influence on material magnetism, with denser distributions yielding more pronounced effects on the overall system; individual arrangements are capable of increasing magnetism by approximately 23%. These insights are further validated by changes in energy band distribution and electronic state density, which show a continuous enhancement of metallic properties and reactivity as Si atoms are successively replaced by Fe atoms. This study introduces an innovative idea for enhancing material performance.

First-principles calculations of the electronic structure and thermodynamic properties of B–Co–O materials

In the present study, the structural properties, electronic, elastic, and thermodynamic properties of Co4B6O13、Co2B2O5、Co3(BO3)2、Co(BO2)2, and CoB4O7 materials were calculated by adopting first-principles calculation method based on density functional theory. The simulated lattice constant is compliant with the existing experimental data well. The formation energy, Gibbs free energy, and phonon dispersion curves show that the B–Co–O materials are thermodynamically stable. The results show that the mechanical properties of CoB4O7 material is excellent, while the mechanical properties of Co2B2O5 material is the weakest. The CoB4O7 material has higher Debye temperature and constant volume heat capacity, and the thermodynamic stability of Co3(BO3)2 is the best. By analyzing band structure and electronic density of states, Co2B2O5 and Co3(BO3)2 materials are conductors, Co4B6O13, Co(BO2)2 and CoB4O7 materials belong to P-type semiconductors. Through electronic density of states analysis and Hirshfeld analysis, they indicated that five B–Co–O materials exhibit ferromagnetic.

Theoretical analysis of magnetic, optoelectronic, and thermoelectric properties of Cs2CuCrX6 (X = Cl and Br) double perovskites for spintronic and data storage devices

Spintronics is an emerging field that has the potential to replace conventional electronics due to their comparatively high speed, low power consumption, and infinite endurance. The phenomena of ferromagnetism with high spin polarization in double perovskites make them the desired materials for spintronics. In the present work, the structure of Cs2CuCrX6 (X = Cl and Br) and their magnetic and optoelectronic properties were studied by utilizing density functional theory (DFT). For the calculations of exchange-correlation potential, PBE-sol approximation was utilized while for the accurate measurement of electronic band structure and density of states (DOS), we employed mBJ potential. Both materials exhibit cubic structure and are thermodynamically stable as confirmed by volume optimization and negative formation energy respectively. Spin-based energy-volume optimization and values of exchange constants reveal the ferromagnetic nature of materials. It has been observed that 3-d states of Cr are responsible for ferromagnetism and have the major contribution to the net magnetic moment caused by exchange splitting. Furthermore, investigations of band structure and electronic density of states showed that both Cs2CuCrCl6 and Cs2CuCrBr6 were indirect bandgap (Eg) semiconductors with the Eg values of 1.2 eV and 0.33 eV respectively. The optical spectra of materials showed strong absorption in the ultraviolet region. Lastly, the transport and thermoelectric properties (TE) of materials were investigated in the range of temperature 300 K–800 K by using the BoltzTrap code. The transport parameter which included the electrical conductivity (σ/τ) and thermal conductivity (κe/τ) of the materials showed a decreasing trend with temperature whereas the Seebeck coefficient (S) and Power factor (P.F) showed an increasing trend for Cs2CuCrCl6 while decreases in case of Cs2CuCrBr6. Furthermore, a high figure of merit (ZT) with values of 0.75 and 0.64 was obtained for Cs2CuCrCl6 and Cs2CuCrBr6 respectively. The results of this work are encouraging and show the capabilities of the discussed materials in the fields of spintronics, thermoelectric, and optoelectronics.

Conduction Band Electron Density Variation Leads to Different Degrees of Ultrafast Laser Ablation of Aluminum-Silver Bimetals in Double Distilled Water

Conduction Band Electron Density Variation Leads to Different Degrees of Ultrafast Laser Ablation of Aluminum-Silver Bimetals in Double Distilled Water

An investigation into the reduction mechanism of temperature-magnetic stress relief based on DO3 crystal

This study assesses a novel method proposed by the research group for reducing residual stress through temperature-magnetic stress relief (TMSR). Experimental findings indicate that this approach yields significant reductions in residual stress. Microscopic analysis reveals that following TMSR treatment, the labyrinthine domains within the material diminish while the parallel domains increase, prompting atomic migration and dislocation in regions of elevated stress. Moreover, utilizing density functional theory, this paper investigates the intrinsic strengthening mechanism of TMSR. The findings indicate that the atomic magnetic moment of the Fe3C (DO3) crystal exhibits an approximately increasing trend within a specific temperature range. This observation underscores the thermo-magnetic coupling strengthening effect inherent in the DO3 ferromagnetic crystal, which constitutes a pivotal element in the enhancement effect of TMSR. Furthermore, an examination of changes in the energy band distribution and electronic density of states at varying temperatures sheds light on the underlying cause of fluctuations in the atomic magnetic moment. The research outcomes indicate that upon surpassing a certain temperature threshold, the crystal phase undergoes changes, leading to fluctuations in the atomic magnetic moment. This study contributes novel insights aimed at enhancing comprehension of the TMSR method.

Achieving High Thermoelectric Performance in ZnSe-Doped CuGaTe2 by Optimizing the Carrier Concentration and Reducing Thermal Conductivity.

The CuGaTe2 thermoelectric material has garnered widespread attention as an inexpensive and nontoxic material for mid-temperature thermoelectric applications. However, its development has been hindered by its low intrinsic carrier concentration and high thermal conductivity. This study investigates the band structure and thermoelectric properties of (CuGaTe2)1-x (ZnSe)x (x = 0, 0.25%, 0.5%, 1%, 1.5%, and 2%). The research revealed that the incorporation of Zn and Se atoms enhanced the level of band degeneracy and electron density of states near Fermi level, significantly raising carrier concentration through the formation of point defects. Simultaneously, when the doping content reached 1.5%, the ZnTe second phase emerged, collaborating with point defects and high-density dislocations, effectively scattering phonons and substantially reducing lattice thermal conductivity. Therefore, introducing ZnSe can simultaneously optimize the material's electrical and thermal transport properties. The (CuGaTe2)0.985(ZnSe)0.015 sample reaches peak ZT of 1.32 at 823 K, representing a 159% increase compared to pure CuGaTe2.

High-pressure properties of thallium orthovanadate from density-functional theory calculations

Thallium vanadate is the missing piece to fully understand the behavior of orthovanadates under high-pressure conditions. Here we report a computational study of TlVO4 under high pressure. Its properties and stability have been studied using the density-functional theory. We have found that TlVO4 undergoes at 2.7 GPa a phase transition from the CrVO4-type structure (described by space group Cmcm) to a wolframite-type structure (described by space group P2/c). In contrast to the behavior of isomorphic vanadates, a subsequent amorphization takes place beyond 6 GPa being it driven by dynamic instabilities. In addition to the structural analysis, we present a systematic study of elastic, vibrational, and bonding properties, as well as a characterization of the electronic band structure and electronic density of states. The distinctive behavior of TlVO4 is attributed to the contribution to the bonding of Tl 6s states. The implications of the observed phase transition and amorphization will be discussed.

Fluoromethane and chloromethane adsorption studies on hydrogenated C8 nanosheets – A first-principles study

We studied the structural stability of hydrogenated C8 (H-C8) sheets which exhibit body-centered tetragonal (BCT) structure and found to be stable in its structure. The energy gap of H-C8 sheets is observed to be 3.517 eV. The structural firmness of H-C8 is verified with formation energy, which is recorded as −5.947 eV/atom. Besides, fluoromethane and chloromethane, two predominant halomethanes are adsorbed on H-C8 nanosheets. The effectiveness of the H-C8 sheets for the detection of fluoromethane and chloromethane is explored in the current work with the help of density functional theory (DFT) calculations. In addition, the electronic properties and adsorption attributes of fluoromethane and chloromethane on H-C8 sheets were investigated through the band structure, DOS spectrum, and electron density difference diagrams. Moreover, the charge transfer and adsorption energy calculations were also determined to ascertain halomethane adsorption. The results show that halomethanes are physisorbed (-0.429 eV to −0.823 eV) as well as chemisorbed (-1.574 eV) on H-C8 sheets. Thus, H-C8 nanosheets can be used as a sensing element towards fluoromethane and chloromethane molecules.

DFT‐based systematic study on the structural, optoelectronic, thermodynamic, vibrational, and mechanical behavior of Ruddlesden Popper perovskites Sr2XO4 (X = Zr, Hf) for optoelectronic applications

AbstractDFT study on the structural, optoelectronic, thermodynamic, vibrational, and mechanical properties of Ruddlesden Popper (RP) perovskites Sr2XO4 (X = Zr, Hf) is made with the help of first principle simulation in the framework of WIEN2K code. The lattice constants in bohr unit are found to be for Sr2ZrO4, and for Sr2HfO4. The calculated band gap values are 2.65 eV for Sr2ZrO4 and 2.58 eV for Sr2HfO4. The band structure and electronic density of states reveal the semiconductor nature of these materials having an indirect band gap. Also, Kramers–Krönig relations are used for optical analysis which unveils that these compounds are suitable for applications in optoelectronic. The vibrational investigations are done while using harmonic approximation. Phonon dispersion curves are plotted to observe the vibrational modes by DFPT to confirm the dynamical stability of studied compounds. Although few soft modes have appeared, however, these compounds are found to be thermally stable. Raman modes appeared at low and high frequencies whereas IR modes are noticed at intermediate frequencies for considered compounds. Upon thermodynamical examination, the maximum value of free energy at 1000 K is noted to be −1.95 eV for Sr2ZrO4 and −2.25 eV for Sr2HfO4. The elastic constants are calculated by using the Voigt–Reuss–Hill approximation. The calculated anisotropic values for these compounds are 1.077 (A) and 0.913 (A) which indicate that Sr2ZrO4 has isotropic behavior and Sr2HfO4 has anisotropic behavior. From our calculations, Voigt Young's modulus of Sr2ZrO4 and Sr2HfO4 is 266.99 (GPa) and 279.42 (GPa) along with Poison's ratio of 0.29 and 0.26, respectively.

Structural, Electronic, and Mechanical Properties of Zr2SeB and Zr2SeN from First-Principle Investigations.

MAX phases have exhibited diverse physical properties, inspiring their promising applications in several important research fields. The introduction of a chalcogen atom into a phase of MAX has further facilitated the modulation of their physical properties and the extension of MAX family diversity. The physical characteristics of the novel chalcogen-containing MAX 211 phase Zr2SeB and Zr2SeN have been systematically investigated. The present investigation is conducted from a multi-faceted perspective that encompasses the stability, electronic structure, and mechanical properties of the system, via the employment of the first-principles density functional theory methodology. By replacing C with B/N in the chalcogen-containing MAX phase, it has been shown that their corresponding mechanical properties are appropriately tuned, which may offer a way to design novel MAX phase materials with enriched properties. In order to assess the dynamical and mechanical stability of the systems under investigation, a thorough evaluation has been carried out based on the analysis of phonon dispersions and elastic constants conditions. The predicted results reveal a strong interaction between zirconium and boron or nitrogen within the structures of Zr2SeB and Zr2SeN. The calculated band structures and electronic density of states for Zr2SeB and Zr2SeN demonstrate their metallic nature and anisotropic conductivity. The theoretically estimated Pugh and Poisson ratios imply that these phases are characterized by brittleness.

Chiral induction enhances hydrogen generation performance of CdS quantum dots

Chirality is ubiquitous in the nature. Chiral nanomaterials show wide application prospects owing to their special properties. In this study, chirality was introduced into photocatalysis. Chiral L-cysteine was introduced into photocatalytic materials for preparation of chiral CdS quantum dots (QDs) at room temperature. Then the CdS QDs were characterized by ultraviolet-visible spectra, infrared spectra and X-ray photoelectron spectroscopy. The hydrogen production activity was tested within the visible light range. Under visible light irradiation, the hydrogen yields of chiral CdS QDs at 298, 323, 333, 348, 358 K were all higher compared with the nonchiral CdS QDs. The hydrogen yield was maximized to 18.72 mmol/g/h at 333 K, which was significantly higher than that of the nonchiral CdS QDs (10.35 mmol/g/h). The reasons for the higher activity of chiral CdS QDs were that the introduction of the chiral ligand broadened the bandgap of CdS, and the more-negative conduction band strengthened the reducibility of photoelectrons. Moreover, the electron-donating groups that coordinated with the active Cd2+ directionally enhanced the electron density of CdS QDs. Theoretical calculation showed the conduction band electron density of CdS was significantly improved, which is consistent with the above results. For these reasons, the hydrogen production ability of chiral CdS QDs is considerably higher than that of nonchiral CdS QDs.

Mg–B–Reduced Graphene Oxide Nanocomposites with Negligible Incubation Time for Hydrogen Release

AbstractDepleting fossil fuels and greenhouse emissions render hydrogen (H) a promising alternative for powering automobiles. MgH2 with its promising H‐weight capacity ≈7.6 wt% can be used for this purpose. However, it exhibits long incubation times with no significant H‐release during the early stages. The present Mg–B–reduced graphene oxide (rGO) nanocomposites can reduce such incubation time drastically. Herein, Mg, rGO, and elemental B as a light weight catalyst at various proportions (viz. B/C (from rGO) weight ratios of 0, 0.09, 0.22, 0.36, and 0.90) are used to synthesize Mg–B–rGO nanocomposites by ball milling. They are eventually subjected to hydrogen uptake at ≈320 °C and PH2 ≈ 15 bar followed by H‐release in vacuum. The nanocomposite with B/C ≈ 0.22 exhibits remarkably negligible incubation time (≈43 s) vis‐à‐vis ≈11 min by B/C = 0. This B/C ≈ 0.22 nanocomposite experiences charge (electron) transfer from Mg and B to C, located external to MgH2 unit cell. This causes Mg←H→B “Tug‐of‐war” within MgH2 unit cell, containing B in its interstitials (due to ball milling) and shrinking it. This leads to “structural catalysis” of H‐release, understood by X‐ray photoelectron, valence band, Raman spectra, and novel electron density maps. These novel materials can alleviate the need for activation cycles for their application.

Carbon nanotubes and nanobelts as potential materials for biosensor

We investigate the electronic response of single-walled carbon nanotubes (SWCNTs) and a carbon nanobelt (CNB) to N-linked and O-linked SARS-CoV-2 spike glycoproteins, using ab initio quantum mechanical approach. The CNTs are selected from three zigzag, armchair, and chiral groups. We examine the effect of carbon nanotube (CNT) chirality on the interaction between CNTs and glycoproteins. Results indicate that the chiral semiconductor CNTs clearly response to the presence of the glycoproteins by changing the electronic band gaps and electron density of states (DOS). Since the changes in the CNTs band gaps in the presence of N-linked are about two times larger than the changes in the presence of the O-linked glycoprotein, chiral CNT may distinguish different types of the glycoproteins. The same results are obtained from CNBs. Thereby, we predict CNBs and chiral CNTs have suitable potential in sequential analysis of N- and O-linked glycosylation of the spike protein.

First-principles calculations to investigate structural, electronic and optical properties of Cmc21-Ge2As2X (X = S, Se, Te and Po) under pressure effect

A group of new compound material Ge2As2X(X=S,Se,Te,Po) with Cmc21 space group is theoretically studied based on density functional theory (DFT) with GGA methods. By analyzing the phonon spectra and elastic constants, it is shown that these compounds have mechanical stability and dynamic stability at 0 GPa and 10 GPa. The lattice constants at different pressures indicate that these compounds are compressible. According to the elastic constants, the elastic (bulk, shear and Young's) moduli, Poisson's ratios, Pugh's ratios and elastic anisotropy indices of the material are calculated at 0 GPa and 10 GPa respectively. The calculation results show that the bulk modulus, B, of Ge2As2Se is the largest, the shear modulus, G, and Young's modulus, E, of Ge2As2S is the largest. The value of the B, G and E are increased due to pressure, indicating that their resistance to deformation is enhanced. According to Pugh ratio, K, except Ge2As2Te, the other compounds belong to brittle materials at 0 GPa, and all compounds belong to ductile materials at 10 GPa. Under pressure, the ductility of the compounds is enhanced. At 0 GPa and 10 GPa, the compounds possess elastic anisotropy. Under pressure, the elastic anisotropy of Ge2As2S and Ge2As2Se increase, while the elastic anisotropy of Ge2As2Te and Ge2As2Po decrease. The band structures and electronic densities of states of these compounds are calculated by the HSE06 method. The band gaps of the four compounds are 0.822eV, 0.725eV, 0.461eV and 0.331eV, at 0 GPa. In contrast, at pressurized 10 GPa, the band gaps of the compounds become zero, indicating their transition from semiconductor to metal. Finally, the optical properties of these compounds are calculated, including dielectric functions, refractive indices, absorption functions, loss functions, transmissivity function, reflectivity functions, conductivity functions and resistivity function. The results show that the characteristics for Ge2As2Po are significantly different from the other three compounds.

Supported photocatalyst for Cr (VI) conversion and removal of organic pollutants.

The photocatalytic property of available semiconductor catalysts still suffers from some urgent problems, such as the high excitation energy, easy agglomeration of powders, or weak recycling property. Therefore, developing novel visible light-supported catalysts and catalyst loading have aroused great attention recently. In this work, a novel Ag3PO4/BiVO4/MWCNTs@Cotton functional fabric was prepared by introducing Ag3PO4 as a plasma resonance photocatalyst and MWCNTs with cotton as composite substrates. Not only did the introduction of Ag3PO4 and MWCNTs effectively strengthen the application ability of BiVO4, but also inhibited the recombination of carriers, and promoted the transport of carriers according to spectroscopic and electrochemical tests. Degradation tests remained that Ag3PO4/BiVO4/MWCNTs @cotton retained the high photocatalytic efficiency of the powder catalyst, along with the degradation degree of active blue KN-R (50mg/L) as well as Cr (VI) (20mg/L) could reach more than 90% within 120 min. What's more, the functional fabric has gained excellent performance in degrading pollutants for 5 cycles. Meanwhile, the prepared BiVO4 is consistent with the band structure and electron density calculated theoretically by the GGA-PBE function. Free radical trapping and scavenging experiments exhibited that functional fabrics could produce active substances such as h+,·O2-, and·OH, among which the first two are the main active substances in the reaction. To sum up, this study is an effective attempt based on the existing problems of photocatalysts together with providing some study directions for the development of photocatalytic technology in the future.

A comparative study of the structural, elastic, thermophysical, and optoelectronic properties of CaZn2X2 (X = N, P, As) semiconductors via ab-initio approach

We present a detailed density functional theory (DFT) based calculations of the structural, elastic, lattice dynamical, thermophysical, and optoelectronic properties of ternary semiconductors CaZn2X2 (X = N, P, As) in this paper. The obtained lattice parameters are in excellent agreement with the experimental values and other theoretical findings. The elastic constants are calculated. The computed elastic constants satisfy the mechanical stability criteria. Moreover, large numbers of thermophysical parameters of these compounds are estimated, including the Debye temperature, average sound velocity, melting temperature, heat capacity, lattice thermal conductivity, etc. The comprehensive analysis of the elastic constants and moduli show that CaZn2X2 (X = N, P, As) compounds possess reasonably good machinability, strongly X-dependent Debye temperature and high Vickers hardness. The phonon dispersion curves and phonon density of states are investigated for the first time for the compounds CaZn2P2 and CaZn2As2. It is observed from the phonon dispersion curves that the bulk CaZn2X2 (X = N, P, As) compounds are dynamically stable in the ground state. Electronic properties have been studied through the band structures and electronic energy density of states. HSE06 (hybrid) functional is used to estimate the band gaps accurately. The electronic band structures show that CaZn2N2 and CaZn2As2 possess direct band gaps while the compound CaZn2P2 has an indirect band gap. The bonding characters of CaZn2X2 (X = N, P, As) compounds are investigated. We have thoroughly discussed the reflectivity, absorption coefficient, refractive index, dielectric function, optical conductivity and loss function of these semiconductors. The optical absorption, reflectivity spectra and the refractive index of CaZn2X2 (X = N, P, As) show that they hold promise to be used in optoelectronic devices.

Lead-free zero-dimensional Cs2ZnBr4 perovskite single crystals with broadband emission covering visible spectrum

All-inorganic lead-free zero-dimensional (0D) metal halides perovskites with intriguing photoluminescent (PL) properties have aroused much interest due to their application in lighting and artificial illumination. Herein, 0D Cs2ZnBr4 perovskite single crystals were synthesized through simple solvothermal method. The phase purity, the electronic band structure and electronic density of states of Cs2ZnBr4 are investigated by X-ray diffraction (XRD) measurement and density functional theory (DFT) calculation. Under 430 nm blue light excitation, Cs2ZnBr4 single crystals exhibit broadband emission covering the visible region from 450 to 750 nm and large Stokes shift about 120 nm, originating from self-trapped excitons (STEs) radiative recombination. And Cs2ZnBr4 shows excellent thermal and air stability. These results indicate the potential application of Cs2ZnBr4 as environmental-friendly light emitters for solid state lighting and displaying.

DC and RF/analog performances of split source horizontal pocket and hetero stack TFETs considering interface trap charges: A simulation study

This work investigates the impact of different types of interface trap charges (ITCs) on electrical parameters of split source horizontal pocket Z shape TFET (ZHP-TFET) and Hetero Stack TFET (HS-TFET) using TCAD simulator. The acceptor type Uniform/Gaussian ITCs are considered at the oxide and semiconductor material interface. The effect of ITCs on transfer characteristics, energy band diagram (at ON, OFF, and ambipolar states), electron density, electron velocity, recombination rate, and electric field are reported for both the TFETs. Furthermore, the various RF/analog parameters like transconductance (gm), gate capacitance (CGG), cut-off frequency (fT), transconductance generation factor (TGF), and transconductance frequency product (TFP) are highlighted in the presence of ITCs for both the structures of TFET. Finally, the linearity parameters like VIP2, VIP3, IIP3, and IMD3 are extracted considering ITCs for both the structures. Simulation result reveals that the various DC, RF/analog, and linearity parameters in ZHP-TFET are more immunes towards different types of ITCs than HS-TFET. It is seen that ZHP-TFET is favorable in terms of DC and RF/analog performances compared to HS-TFET, even in the presence of ITCs. Moreover, a comparative study of various Figure of Merits (FoMs) for ZHP-TFET with existing literature is presented.