Acceptor Level Research Articles

Additive effect of Li on electrical property of ZnO passivation layer to control dendritic growth of Zn during recharge processes

This study investigates the effect of Li+ on the dendritic growth of Zn anodes in the presence of a ZnO passivation layer formed after discharge, with particular attention to the initial recharge process. 0.1 mol dm−3 Li+ effectively suppresses dendrites, while 2 mol dm−3 Li+ addition facilitates the same. The difference in Zn dendrite formation behavior is also indicated by the attenuation tendency of the potential oscillation accompanied by hydrogen evolution reaction during recharge. This is attributed to Li+ concentration dependence of the properties of the ZnO passivation layer formed during Zn anode discharge. Li+ modulates the carrier density of ZnO by altering its crystalline defect characteristics; the carrier density of ZnO with 0.1 mol dm−3 Li+ addition becomes approximately three times as high as that without additive owing to the oxygen vacancies and interstitial zinc that form additional donor level. By contrast, 2 mol dm−3 Li+ reduces the carrier density of ZnO by inducing zinc vacancies to form acceptor levels. The highly conductive ZnO produced by adding 0.1 mol dm−3 Li+ improves the reaction uniformity during recharge, which suppresses dendrite formation. This study provides valuable insight into the mechanisms and control strategies of Zn dendrite growth during the charge-discharge cycling of alkaline Zn rechargeable batteries.

A hBN/Ga2O3 pn junction diode.

The development of next-generation materials such as hBN and Ga2O3 remains a topic of intense focus owing to their suitability for efficient deep ultraviolet (DUV) emission and power electronic applications. In this study, we combine p-type hBN and n-type Ga2O3, forming a pseudo-vertical pn hBN/Ga2O3 heterojunction device. Rectification ratios > 105 (300K) and [Formula: see text]400 (475K) are observed and are amongst the highest values reported to date for ultra-thin hBN-based pn junctions. The measured current under forward bias is ~2mA, which we attribute to the shallow Mg acceptor level (60 meV), and 0.2 µA at -10V. Critically, device performance remains stable and highly repeatable after a multitude of temperature ramps to 475K. Capacitance-voltage measurements indicate widening the depletion region under increasing reverse bias voltage and a built-in voltage of 2.34V is recorded. The hBN p-type characteristic is confirmed by Hall effect, a hole concentration of [Formula: see text] cm-3 and mobility of 24.8 cm2/Vs is achieved. Mg doped hBN resistance reduces by >108 compared to intrinsic material. Future work shall focus on the optical emission properties of this material system.

Arsenic-doped HgCdTe: FTIR photoluminescence and photoreflectance spectroscopy study

Photoluminescence (PL) and photoreflectance (PR) spectroscopy were used for the optical study of arsenic doping of HgCdTe grown by molecular beam epitaxy (MBE). Un-doped and arsenic-doped material with cadmium telluride molar fraction x = 0.29 grown under similar conditions and subjected to similar types of annealing was studied. The PL spectra of the un-doped material featured signatures of intrinsic defects associated with mercury vacancy, excessive tellurium, and related complexes. In the arsenic-doped material, optical signatures of these defects appeared to be suppressed. After arsenic activation, shallow (7–8 meV) acceptor levels were found in the material. These were attributed to the dopant activation, which was confirmed with electrical studies showing p-type conductivity with hole concentration ∼1016 cm−3. The studies showed that the actual pattern of arsenic doping in HgCdTe can be indeed screened by intrinsic defects, which are inherent to MBE-grown HgCdTe and tend to interact with the dopant.

Pure Hexagonal Diamond with Symmetry-Doping Properties.

The difficulties in asymmetrical doping of wide band gap materials, especially for the n-type diamond challenge, hamper their application in electronic devices. Here, we propose doping diamond polytypes with reasonable band structures to solve this problem. Various elements are doped into six diamond polytypes, and their doping behaviors are investigated. The results show that pure hexagonal (2H) diamond has the band gap with a value of 4.42 eV and the smallest carrier effective masses among six calculated diamond polytypes, exhibiting high electron mobility and hole mobility up to 4250 and 5840 cm2·V-1·s-1, respectively. Compared to cubic (3C) diamond, the impurity formation energy in 2H-diamond is reduced, which is attributed to its C3v symmetry. More importantly, 2H-diamond exhibits favorable doping symmetry with a donor level of 0.14 eV for phosphorus and an acceptor level of 0.19 eV for boron, respectively, which originate from smaller effective masses and stronger delocalization at the band edge in 2H-diamond. These ionization energies are smaller than those in 3C-diamond of 0.32 and 0.58 eV, respectively. This reveals that phosphorus and boron in 2H-diamond are more easily excited at room temperature, producing good n- and p-type conductivities. All of these make 2H-diamond a potential candidate for the replacement of 3C-diamond as a wide band gap material theoretically. These provide a way to realize high-quality n-type diamond, giving significant insights into the realization of diamond-based electronic devices. This also supplies a solution for the difficulties in asymmetric doping of other wide band gap materials.

Electrical properties and evaluation of band tail states in Mg doped p-type multilayer hBN

A series of Mg doped p-type multi-layered hBN films were prepared by atmospheric pressure chemical vapor deposition. Temperature dependent conductivity measurements were performed from 0.1 Hz to 10 MHz to analyze the characteristics of tail states close to the valence band edge. Jonscher's power law (Aωs) is successfully applied to understand charge carrier transport through these states. In this work, exponent S increases from 0.6 → 0.8, 0.8 → 0.995, and 1.4 → 1.6 for samples B (precursor temperature, 750 °C), D (850 °C), and E (900 °C), indicating that non-overlapping small polaron tunneling dominates to 548 K. Polaron binding energies of 0.2–0.40 eV and tunneling distances <4.9 Å are calculated, confirming transport through localized states. The density of states near the Fermi level N(EF) was extracted from a fit to the AC conductivity data, yielding values of 1015 and 1017eV−1cm−3 as the precursor temperature increases. Singular Mg acceptor levels of 74, 30, and 17 meV are identified for each sample. A hole concentration from 6.5 × 1017 to 1 × 1018 cm−3 and carrier mobility from 18 to 25 cm2/V s is measured at 300 K. From RC fitting, carrier recombination lifetimes of 1.2, 0.4, and 0.35 μs are determined. Fermi's golden rule is used to determine an optical joint density of states of 1.1 × 1021 eV−1 cm−3 at a band edge. Overall, we show that AC conductivity is an effective method to evaluate midgap states in 2D (two-dimensional) materials at EF and p-type hBN possesses sufficient electrical properties to be integrated into a wide range of semiconductor applications.

Impact of c- and m- sapphire plane orientations on the structural and electrical properties of β-Ga2O3 thin films grown by metal-organic chemical vapor deposition

Abstract This work presents a comprehensive investigation into the structural and electrical properties of Ga2O3 thin films grown via metal-organic chemical vapor deposition on both c- and m-plane sapphire substrates. Structural characterization revealed the β-Ga2O3 phase formation in both substrate orientations, with strong epitaxial ( 2 ¯ 01 ) preferential growth on c-plane substrates and polycrystalline films on m-plane substrates. Results show that Ga2O3/m-sapphire exhibits the lower electrical resistivity than its counterpart grown on c-sapphire. Activation energies of acceptor levels were estimated at ~1.4 eV and ~0.7 eV , for Ga2O3 films grown on c- and m-plane, respectively. This result shows that growing Ga2O3 on m-plane sapphire is beneficial to reach a weakly compensated sample. Cathodoluminescence analysis suggests that the additional low activation energy of ~0.18 eV observed in Ga2O3 grown with the highest oxygen flow on m-plane sapphire can be associated to thermally-induced migration of self-trapped hole states.

On analysis of structural and optical absorption characterization of Bi35Sb5Se60 nanostructured thin films for photosensing application

In this extensive study, the primary focus is directed towards the intricate exploration of the optical absorption characteristics inherent in nanostructured Bi35Sb5Se60 thin films, prepared by thermal evaporation under a vacuum of 10−5 Torr, ensuring high purity and uniformity for optoelectronic applications. With a particular emphasis on their prospective application in photosensing devices. The research employs a comprehensive approach, integrating various spectrophotometric measurements that encompass both transmission and reflection analyses. The meticulous examination of the absorption edge characteristics reveals a direct energy gap of 1.82 eV, providing a foundational understanding of the material's electronic structure. The determination of the dispersion energy at 6.35 eV and the oscillator energy at 2.96 eV further enriches the understanding of the material's optical behavior, shedding light on its capacity to interact with incident light. A noteworthy highlight emerges with the identification of high photosensitivity exhibited by the heterojunction, particularly under lower reverse bias conditions, underscoring its potential utility in photosensing applications. The PL spectra reveal a highly broadened defect emission band with peaks at 475 nm, 490 nm, and 540 nm, providing insights into the recombination processes within the material. The identification of emission peaks related to the conduction band edge and acceptor levels further enhances the comprehension of the material's optical and electronic characteristics. underscores the potential of these nanostructured thin films for efficient photosensing devices. The findings presented in this research not only advance the understanding of the material's properties but also lay a robust foundation for further research and development in the design and optimization of photoresponsive devices within the realm of optoelectronic technologies.

Comprehensive characterization of nitrogen-related defect states in β-Ga2O3 using quantitative optical and thermal defect spectroscopy methods

This study provides a comprehensive analysis of the dominant deep acceptor level in nitrogen-doped beta-phase gallium oxide (β-Ga2O3), elucidating and reconciling the hole emission features observed in deep-level optical spectroscopy (DLOS). The unique behavior of this defect, coupled with its small optical cross section, complicates trap concentration analysis using DLOS, which is essential for defect characterization in β-Ga2O3. A complex feature arises in DLOS results due to simultaneous electron emission to the conduction band and hole emission to the valence band from the same defect state, indicating the formation of two distinct atomic configurations and suggesting metastable defect characteristics. This study discusses the implications of this behavior on DLOS analysis and employs advanced spectroscopy techniques such as double-beam DLOS and optical isothermal measurements to address these complications. The double-beam DLOS method reveals a distinct hole emission process at EV+1.3 eV previously obscured in conventional DLOS. Optical isothermal measurements further characterize this energy level, appearing only in N-doped β-Ga2O3. This enables an estimate of the β-Ga2O3 hole effective mass by analyzing temperature-dependent carrier emission rates. This work highlights the impact of partial trap-filling behavior on DLOS analysis and identifies the presence of hole trapping and emission in β-Ga2O3. Although N-doping is ideal for creating semi-insulating material through the efficient compensation of free electrons, this study also reveals a significant hole emission and migration process within the weak electric fields of the Schottky diode depletion region.

Optical Characterization of the Interband Cascade LWIR Detectors with Type-II InAs/InAsSb Superlattice Absorber.

The long-wave infrared (LWIR) interband cascade detector with type-II superlattices (T2SLs) and a gallium-free ("Ga-free") InAs/InAsSb (x = 0.39) absorber was characterized by photoluminescence (PL) and spectral response (SR) methods. Heterostructures were grown by molecular beam epitaxy (MBE) on a GaAs substrate (001) orientation. The crystallographic quality was confirmed by high-resolution X-Ray diffraction (HRXRD). Two independent methods, combined with theoretical calculations, were able to determine the transitions between the superlattice minibands. Moreover, transitions from the trap states were determined. Studies of the PL intensity as a function of the excitation laser power allowed the identification of optical transitions. The determined effective energy gap (Eg) of the tested absorber layer was 116 meV at 300 K. The transition from the first light hole miniband to the first electron miniband was red-shifted by 76 meV. The detected defects' energy states were constant versus temperature. Their values were 85 meV and 112 meV, respectively. Moreover, two additional transitions from acceptor levels in cryogenic temperature were determined by being shifted from blue to Eg by 6 meV and 16 meV, respectively.

Investigations on the Recovery of the Electrical Properties of Smart Cut™-Transferred SiC Thin Film Using SiC-on-Insulator Structures

SiC-on-Insulator (SiCOI) structures fabricated using the Smart Cut™ technique can be of great interest in order to probe the properties of a silicon carbide (SiC) transferred layer, by electrically insulating it from the receiver substrate. In this study, we report the fabrication of such a SiCOI structure using a SiC receiver, as well as its electrical and TEM characterization after high temperature annealing. We highlight a decrease of the transferred layer electrical resistivity with increasing annealing temperature, due to doping reactivation and electron mobility enhancement. After low temperature annealing (1200°C to 1400°C), deep acceptor levels, possibly located in a damaged region near the substrate’s surface, might be responsible of a non negligible electrical compensation. Beyond 1400°C however, the transferred SiC crystal is healed and electron transport is only subjected to shallow nitrogen ionization.

Studies on B-doping during low-temperature growth of nc-Ge thin films via PECVD to mitigate unwanted conduction characteristics from the post-deposition oxygen absorption

Post-deposition O absorption is a common issue in low-temperature grown nc-Ge films, that makes the material unstable and induces high n-type electrical conductivity ∼10−2 S cm−1. An attempt has been made to mitigate the oxygen absorption issue through B doping of the nc-Ge thin film network at a low deposition temperature of ∼220 °C, employing a conventional capacitively coupled PECVD. At a B2H6 flow rate of 3.0 sccm, the incorporation of a restricted quantity of B maintains a narrow band gap of ∼1.04 eV, significantly low conductivity of ∼6.76 ×10−7 S cm−1, activation energy ∼398 meV, and photosensitivity of 6.0. Spectroscopic studies indicated that B doping facilitated reduced O-intake in the nc-Ge matrix, possibly via passivating the grain boundary defects and dangling bonds in the amorphous matrix and inducing the preferential absorption of O atoms in the Ge–O2 configuration compared to its Ge–Ox (x < 2) counterpart. The diminished O-induced carriers and the supplied acceptor levels by the B dopants compensate for the inherent n-type carrier concentration. However, at higher B2H6 flow rates, significant B incorporation in the film matrix introduces numerous defects, degrading the crystallinity, despite increasing its p-type conductivity to 2.16 ×10−5 S cm−1 and maintaining a narrow band gap. Organized switching in the type of conductivity from the n-type to p-type ensues via gradually rising the B-dopants within the nc-Ge thin film network during its growth, which deserves attention for specific device applications.

Temperature Dependence of the Defect States in LWIR (100) and (111)B HgCdTe Epilayers for IR HOT Detectors

HgCdTe epilayers grown by chemical vapor deposition (MOCVD) on GaAs substrates operating in the long-wave infrared range were characterized by the photoluminescence (PL) method. Photodiode and photoconductor designs, both (100) and (111)B crystallographic, were analyzed. Spectral current responsivity (RI) and a PL signal approximated by a theoretical expression being the product of the density of states and the Fermi–Dirac distribution were used to determine the fundamental transition (energy gap, Eg). For all the samples, an additional deep-level-related transition associated with mercury vacancies (VHg) were observed. The energy distance of about 80 meV above the valence band edge was observed for all the samples. Moreover, measurements at low temperature showed shallow acceptor-level (AsTe and VHg as acceptors) transitions. In HgCdTe(100), due to the higher arsenic activation, AsTe was the dominant acceptor dopant, while, in HgCdTe(111)B, the main acceptor level was formed by the neutral VHg. The determined activation energies for AsTe and VHg dopants were of about 5 meV and 10 meV, respectively.

AB-INITIO CALCULATIONS OF THE RHODIUM-DOPED (001) SURFACE OF THE RHOMBOHEDRAL PHASE BaTiO&lt;sub&gt;3&lt;/sub&gt;

The advancement of effective, durable, and economically viable photocatalytic systems aimed at solar-driven water splitting into hydrogen and oxygen represents a strategically vital pathway for future fuel and chemical production from renewable sources. Water splitting is a promising strategy for the sustainable production of renewable hydrogen and for addressing the global energy and environmental crisis. However, the large-scale application of this method is limited by the low efficiency and high cost of solar water splitting systems. The search for economical, efficient, and stable photocatalysts is crucial in the development of solar water splitting technologies. Perovskite-based photocatalysts have recently attracted considerable attention for use in solar water splitting processes due to their simple structure and flexible composition. BaTiO3 is a promising photocatalyst because of its adjustable electronic structure. Initially considered a poor photocatalyst due to its wide band gap, this material has become the focus of various strategies aimed at reducing the band gap. In this paper, we study the effect of Rh doping on the electronic structure of the (001) BaTiO3 perovskite surface. Theoretical results show that Rh atoms can occupy both sites simultaneously, or only Ti sites, or Ba sites. The electronic structure was modeled for two conditions. When Rh atoms occupy one Ba position and one Ti position, the electronic structure shows the presence of an acceptor level within the band gap above the Fermi level, effectively reducing the band gap of the material.

FeGa (0/−) acceptor level as a reference energy level in dilute AlxGa1−xN

Laplace deep-level transient spectroscopy and photoluminescence have been used to demonstrate that the FeGa (0/−) acceptor level in dilute AlxGa1−xN (x ≤ 0.063) can be considered as a common reference level as expected for energy levels of transition metals in isovalent semiconductor compounds. Furthermore, the conduction and valence band offsets (ΔEC and ΔEV, respectively) in GaN/AlxGa1−xN heterojunctions, as a function of Al content for samples grown by the metalorganic vapor-phase epitaxy technique on native Ammono-GaN substrates, have been found. The band-offsets determined in this study are ΔEC = 1.17x eV and ΔEV = −0.95x eV over the range of x studied and are in good agreement with other experimental results reported for actual GaN/AlxGa1−xN heterojunctions as well as with the recent theoretical calculations based on hybrid density functional theory. Moreover, we confirmed that the band bowing effect related to compositional dependence in AlxGa1−xN is accommodated practically only in the conduction band as suggested by theoretical calculations.

In-situ constructing Co/Mo co-doped Na3V2(PO4)3 with coral cluster porous structure boosting high performance for sodium ion batteries

Na3V2(PO4)3 (NVP) is suffered from poor conductivities and terrible structure stability. Herein, Co/Mo co-doped NVP with unique cluster porous structure is prepared. Notably, Co2+ replacing V3+ provides useful p-type effects, manufacturing more acceptor levels and generating equal hole carriers, which facilitates the ionic conductivity. Moreover, the larger ionic radius of Co2+ significantly enlarges the interplanar spacing to broaden ionic migration channel. The doped Co2+ can function as pillar ions to reinforce the crystal structure, further improving structure stability. Meanwhile, Moderate Mo6+ is introduced to keep charge balance, resulting in beneficial n-type doping effects, which can bring more electrons and increase the electronic concentration to speed up electronic conduction. Notably, a unique coral cluster porous structure is formed after controlling the added Co/Mo contents. This distinctive morphology allows active materials expose more contact areas with electrolyte to enhance infiltration effects, increasing the active sites to release more reversible capacity. Moreover, the porous construction withstands the stress resulting from the volume contraction during Na+ de-insertion. Comprehensively, NVCMP0.15 exhibits a value of 90.7 mAh g−1 at 50C and retains 68.5 mAh g−1 after 2000 cycles with retention ratio of 75.52 %. Ex-situ XRD/XPS/SEM after cycling indicate great improvements in crystal stability of NVCMP0.15.

Simultaneous enhancement of photocurrent and open circuit voltage in ternary organic solar cells by red fluorescent material as third component materials

Ternary organic solar cells (OSCs) were constructed using D18-Cl:Y6 as the host photoactive layer and the red fluorescent material [4-(dicyano-methylene)-2-methyl-6-(p-dimethyl aminostyryl)-4H-pyran] (DCM) as the third component material. The optimized ternary OSCs (optimized weight ratio of D18-Cl:Y6:DCM is 1:1.4:0.1) showed a power conversion efficiency (PCE) of 17.36 %, a short-circuit current density (JSC) of 26.79 mA cm−2, an open-circuit voltage (VOC) of 0.89 V, and a fill factor (FF) of 72.8 %. Since the absorption peak of DCM is located in the red light region and the photoluminescence peak of DCM is covered by the absorption peak of D18-Cl, DCM significantly improves the short-wavelength light absorption of the optimized ternary photoactive layer and facilitates the energy transfer from DCM to D18-Cl. While increasing the DCM content, the LUMO level of the blend acceptor is shifted upwards, which favors the VOC value. However, excessive amount of DCM would damage the phase separation, bulk and surface morphology of the ternary film. The results showed that the red fluorescent material DCM has great potential as a third component material for realizing highly efficient ternary OSCs.

First‐principles Study of the Al‐N co‐doped Zincblende ZnO

Electronic properties of intrinsic ZnO, N doped ZnO and Al‐N co‐doped ZnO of both hexagonal wurtzite (HW) and zinc blende (ZB) structures were investigated by first‐principles calculations. Both N doped ZB‐ZnO and N doped HW‐ZnO achieve p‐type transition by the introduction of N‐2p states, forming shallow acceptor levels above the valence band. However, the positive impurity formation energy implied the difficulty and instability of N‐doped ZnO. In Al‐N co‐doped ZnO, the Al elements compensate the p‐type doping effect, but partially enhance the solubility of N. Furthermore, the comparison of the electronic properties between HW‐ZnO and ZB‐ZnO, indicated that the ZB structure favors the achieving of p‐type doping.This article is protected by copyright. All rights reserved.

Hydrogen-like impurities in Si and Ge quantum dots in connection with 5 nm and beyond metal-oxide-semiconductor technologies

The industrial drive towards smaller semiconductor devices is at less than 10 nano-meters. In the next few years a three-dimensional quantum confined device structure is expected. We have studied the electronic structure of hydrogen-like donor impurities in Si and Ge quantum dots with varied shape of the confinement potential. These calculations are carried out within the Density-Functional-Effective-Mass Theory (DF-EMT). We have paid particular attention to the electron-electron interaction energy in a negative charge state of the donor impurity. The effect of electron correlation on the binding energy has been explored. In addition to these, we show that the second order correction to the ground state energy obtained through perturbative approach agrees well with the DF-EMT based numerical results, down to very small sizes of the quantum dots when the depth of the confinement is moderate or small. A non-monotonic shallow-deep transition of the binding energy of neutral and charged donors of hydrogen-like impurities is expected to occur with the reduction in the size of the quantum dot. A similar effect is expected for hydrogen-like acceptor impurities as well. Furthermore, the optical gap also shows non-monotonic shallow-deep behaviour with the quantum dot size reduction. Deepening of shallow donor or acceptor level implies that the carriers will freeze out at small sizes of the dot. We believe this is quite important in the context of metal-oxide-semiconductor (MOS) devices beyond 5 nm technologies, based on Si, Ge or a combination (SiGe). We also point out possible variabilities in the binding energy of donors and acceptors if there are variations in the size of host quantum dots in a large assembly of devices in future integrated circuits. This will lead to the variabilities in the characteristics from device to device. These results should be incorporated in the Technology Computer Aided Design (TCAD) simulation of less than or equal to 5 nm MOS devices.

Optical properties of HgCdTe epitaxial films doped with arsenic

Subject of study. Epitaxial films of Hg0.7Cd0.3Te solid solutions grown by molecular beam epitaxy and doped with arsenic to obtain hole-type conductivity in order to form p-n junctions for the production of infrared photodetector structures are studied. Aim of study. The types and characteristics of defects formed during arsenic doping of epitaxial films of Hg0.7Cd0.3Te solid solutions grown by molecular beam epitaxy and the effect of doping on the level of disorder in the solid solution are determined. Method. Ellipsometry, optical transmittance, photoluminescence, and photoreflectance are used. Main results. The initial material is shown to have high quality in terms of film bulk and surface quality, and the quality was found to improve after two-stage activation thermal annealing. Annealing has been shown to activate the arsenic with the formation of shallow (7–8 meV) acceptor levels. No side defects were found to occur as a result of the introduction of arsenic into the films during growth and annealing. Practical significance. This research demonstrated the effectiveness of doping epitaxial films of Hg0.7Cd0.3Te solid solutions with arsenic as an acceptor impurity in order to produce layers with hole conductivity during the production of photodiode structures.

Exploring the effective P-type dopants in two-dimensional Ga2O3 by first-principles calculations

Exploring effective p-type doping in Ga2O3 is crucial for both fundamental science and emerging applications. Recently, N and Zn elements have been shown to exhibit considerable contributions to effective p-type doping in 3D Ga2O3 experimentally and theoretically, whereas the studies of their doping behaviors in 2D Ga2O3 are rare. In this study, we investigate the possibilities of N and Zn elements to achieve effective p-type doping, manifesting in the introduction of shallow acceptor levels typically less than 0.5 eV in 2D Ga2O3 using first-principles calculations with the generalized gradient approximation + U method. The calculated defect formation energies suggest that the N-doped 2D Ga2O3 structures are more easily formed under Ga-rich conditions, while the Zn-doped structures are more readily generated under O-rich conditions. Moreover, the introduced N and Zn atoms preferentially incorporate on the threefold coordinated OII and pyramidally coordinated GaI sites, accompanying with N3− and Zn2+ oxidation states in 2D Ga2O3, respectively. In particular, the electronic structures indicate that the occupied N-2p and semi-occupied Zn-3d orbitals produce shallow hole levels ranging from 0.09 to 0.33 eV, demonstrating that N and Zn atoms can behave as effective p-type dopants in 2D Ga2O3. The magnetic moments for N- and Zn-doped 2D Ga2O3 are 1.00 μB due to the doping of one hole, where the magnetic moments can be mainly attributed to the N atom and the nearest O atoms, respectively. Our work may offer theoretical guidance for the design of p-type 2D Ga2O3 materials and shed light on its potential optoelectronic and magnetic applications.