Solid State Communications最新文献

(MgO)42 nanocluster: A UV active magic cluster in the (MgO)6n (n = 1–9) series under DFT investigation （MgO）42纳米团簇：DFT研究的（MgO）6n （n = 1-9）系列中的紫外活性神奇团簇

IF 2.1 4区物理与天体物理 Q3 PHYSICS, CONDENSED MATTER

Solid State Communications

Pub Date : 2024-11-30 DOI: 10.1016/j.ssc.2024.115783

Bijal R. Mehta , Esha V. Shah , Sutapa Mondal Roy , Debesh R. Roy

This study employs density functional theory (DFT) to investigate the electronic and optical properties of alkaline-earth magnesium oxide nanocluster series, namely (MgO)_6n (n = 1 to 9). As the number of (MgO)₆ nanocluster unit increases in the (MgO)_6n series, the electronic and optical behavior attributes a striking zigzag pattern. The analysis of energy gain in these clusters reveal a notably stable ‘magic’ nanocluster, namely, (MgO)₄₂. Additionally, our findings uncover UV-B active optical transitions in the (MgO)₄₂ magic nanocluster, suggesting its promising potential for possible applications in optoelectronics. Further, the analysis of infrared spectra of the (MgO)₄₂ magic nanocluster, combined with electronic properties by cluster simulation, provides novel insights into its prospective synthesis. The promising properties of ultra-violet B active (MgO)₄₂ nanocluster may further be explored for its low-dimensional customized assembled materials. Overall, the present study advances the fundamental understanding of sub-nanoscale MgO clusters, facilitating tailored design and versatile application across various technological domains.

本研究利用密度泛函理论（DFT）研究了碱土氧化镁纳米团簇系列（MgO）6n （n = 1 ~ 9）的电子和光学性质。随着（MgO）6n系列中（MgO）6纳米团簇单元数量的增加，其电子和光学行为呈现出明显的锯齿状。对这些团簇中的能量增益的分析揭示了一个非常稳定的“神奇”纳米团簇，即（MgO）42。此外，我们的发现揭示了（MgO）42神奇纳米簇中的UV-B有源光学跃迁，表明其在光电子学中的潜在应用潜力。此外，对（MgO）42神奇纳米团簇的红外光谱分析，结合团簇模拟的电子特性，为其未来的合成提供了新的见解。紫外B活性（MgO）42纳米团簇的低维定制组装材料的前景有待进一步探索。总的来说，本研究促进了对亚纳米级MgO簇的基本理解，促进了定制设计和跨各种技术领域的通用应用。

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引用次数: 0

Synthesis and optimization of cubic shaped magnetite nanoparticles by one-step ultrasound irradiation process 一步超声辐照法制备立方磁铁矿纳米颗粒及优化

IF 2.1 4区物理与天体物理 Q3 PHYSICS, CONDENSED MATTER

Solid State Communications

Pub Date : 2024-11-29 DOI: 10.1016/j.ssc.2024.115772

Md. Nasir Uddin , Shamsun Alam , Harinarayan Das

An effective and speedy environmentally friendly method of ultrasonic irradiation was developed to synthesize highly crystalline monodisperse magnetite nanocubes with uniform particle size. To synthesize magnetite nanocubes, a cost-effective and non-toxic metal salt (FeSO₄.7H₂O) was used as reactant. The study examined the impact of sonication times (30, 45, 75, and 105 min) on particle size and morphology to determine the optimal duration and also compared significant properties of the Fe₃O₄ NPs in details. XRD confirmed the cubic spinel structure of magnetite. FTIR elucidated surface absorption characteristics, and UV-spectroscopy determined electronic transitions and indicated a minimum absorption wavelength of 224 nm. EDX provided elemental composition information, while TEM showed that the nanoparticles were most uniform and cubic at 75 min. The size of the Fe₃O₄ NPs was controlled in the range from 42.13 to 74.87 nm based on the different time periods used in this synthesis process. The magnetization value was found to be particle size dependent which was studied by vibrating sample magnetometer (VSM). A high magnetization value of 48.99 emu/g was obtained for the Fe₃O₄ NPs sample sonicated for 75 min. The integration of these techniques, along with particle size analysis, enabled a comprehensive understanding of the synthesized nanoparticles and considered them as prospective materials for several applications.

提出了一种高效、快速、环保的超声辐照法制备高结晶、粒径均匀的单分散磁铁矿纳米立方的方法。以一种经济无毒的金属盐（FeSO4.7H2O）为原料合成纳米磁铁矿。该研究考察了超声时间（30、45、75和105分钟）对颗粒大小和形貌的影响，以确定最佳时间，并详细比较了Fe3O4 NPs的重要性能。XRD证实了磁铁矿的立方尖晶石结构。FTIR分析了其表面吸收特性，紫外光谱分析了其电子跃迁，发现其最小吸收波长为224 nm。EDX提供了元素组成信息，而TEM显示纳米颗粒在75 min时最为均匀和立方。根据合成过程中使用的不同时间周期，Fe3O4纳米颗粒的尺寸被控制在42.13 ~ 74.87 nm范围内。用振动样品磁强计（VSM）对磁化值进行了研究，发现磁化值与粒径有关。经过75分钟超声处理的Fe3O4 NPs样品获得了48.99 emu/g的高磁化值。这些技术的集成以及粒度分析使人们能够全面了解合成的纳米颗粒，并认为它们是几种应用前景广阔的材料。

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引用次数: 0

Effect of Al doping on the magnetic, magneto-structural, and magnetocaloric properties of Ni-Mn-In Heusler alloys Al掺杂对Ni-Mn-In Heusler合金磁性、磁结构和磁热性能的影响

IF 2.1 4区物理与天体物理 Q3 PHYSICS, CONDENSED MATTER

Solid State Communications

Pub Date : 2024-11-26 DOI: 10.1016/j.ssc.2024.115767

Milad Arman , Farzad Shahri , Reza Gholamipour , Sajad Sohrabi

The present study aimed at investigating the effect of Al doping (0–1.5 at. %) on the magnetic, magneto-structural, and magnetocaloric properties of the Ni₅₀Mn₃₄In₁₆ Heusler alloy with diameters of 2 mm prepared using a suction-casting technique. X-ray diffraction (XRD), field-emission scanning electron microscopy (FE-SEM), and magnetic force microscopy (MFM) were employed to identify the structure, microstructure, and magnetic domain distribution of the samples. Also, phase transformation behavior was characterized using differential scanning calorimetry (DSC) across a temperature range of 200–350 K. A SQUID Quantum Design MPMS®3 was employed to evaluate the thermo-magnetic properties of the samples during heating and cooling cycles between 175 and 375 K under a constant magnetic field of 2 T. Finally, A cryostat-equipped vibrating sample magnetometer (VSM) was used to analyze the magnetic and magnetocaloric properties around the magneto-structural and magnetic phase transition temperature, up to a magnetic field of 1.75 T. Based on the results obtained, it was shown that doping 0.5 at. % Al increases magnetization, magnetic entropy change (

Δ S_{M})

and adiabatic temperature change (

Δ T_{a d})

to 79 emu/g, 3.86 J/kg.K, and 1.14 K respectively, which can be attributed to the pre-martensitic phase transformation. However, by further Al substitution up to 1.5 at. %, the magneto-structural transformation temperatures shift toward higher values, while magnetization,

Δ S_{M}

, and

Δ T_{a d}

decrease.

本研究旨在探讨Al掺杂（0-1.5 at）的影响。采用吸铸技术制备了直径为2mm的Ni50Mn34In16 Heusler合金，并对其磁性、磁结构和磁热性能进行了研究。采用x射线衍射（XRD）、场发射扫描电镜（FE-SEM）和磁力显微镜（MFM）对样品的结构、微观结构和磁畴分布进行了表征。此外，用差示扫描量热法（DSC）在200-350 K的温度范围内表征了相变行为。鱿鱼量子设计mpm®3来评估样品的热磁特性在加热和冷却周期之间的恒定磁场下175和375 K 2 t .最后,cryostat-equipped振动样品磁强计(VSM)被用来分析magneto-structural周围的磁场和磁致热的特性和磁相变温度,磁场的1.75 t .根据获得的结果,结果表明,掺杂0.5。Al增加磁化强度，磁熵变化（ΔSM）和绝热温度变化（ΔTad），达到79 emu/g， 3.86 J/kg。K和1.14 K，可归因于马氏体前相变。然而，通过进一步的Al取代高达1.5 at。%时，磁结构转变温度向较高值移动，磁化强度、ΔSM和ΔTad减小。

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引用次数: 0

Magnetic property of CuTa2-xSbxO6 CuTa2-xSbxO6的磁性能

IF 2.1 4区物理与天体物理 Q3 PHYSICS, CONDENSED MATTER

Solid State Communications

Pub Date : 2024-11-26 DOI: 10.1016/j.ssc.2024.115768

Tadeusz Groń , Marcin Fijałkowski , Grażyna Dąbrowska , Elżbieta Filipek , Bogdan Sawicki , Piotr Urbanowicz

An insulating solid solution with the general formula CuTa_2-xSb_xO₆and a limited range of homogeneity (0 ≤ x ≤ 0.5), synthesized in a high-temperature solid state reaction, was subjected to magnetic studies due to the presence of a temperature-independent contribution to the magnetic susceptibility. For this purpose, the magnetic susceptibility (χ) and the magnetic isotherm (M) were measured. From the temperature dependence of the χT product, the temperature independent Van Vlecks magnetic susceptibility, χ₀, was estimated. This value was then subtracted from the measured magnetic susceptibility, χ, yielding the magnetic parameters of the solid solution, which were consistent with the tabulated values.

在高温固相反应中合成了一种通式为cuta2 - xsbxo6且均匀性范围有限（0≤x≤0.5）的绝缘固溶体，由于磁化率与温度无关，因此对其进行了磁性研究。为此，测量了磁化率（χ）和磁等温线(M)。根据χT积与温度的相关性，估计出与温度无关的Van Vleck磁化率χ0。然后将该值从测量的磁化率χ中减去，得到与表中值一致的固溶体的磁性参数。

引用次数: 0

The effects of Cobalt doping on the structural, electronic, magnetic, and thermodynamic characteristics of the L10-FeNi alloy: First-principle calculations 钴掺杂对L10-FeNi合金结构、电子、磁性和热力学特性的影响：第一性原理计算

IF 2.1 4区物理与天体物理 Q3 PHYSICS, CONDENSED MATTER

Solid State Communications

Pub Date : 2024-11-26 DOI: 10.1016/j.ssc.2024.115769

Zineb Zine , Nassima Meftah , Bahmed Daoudi , Faical chemam

This study conducts a computational analysis employing density functional theory (DFT) to investigate the effects of Cobalt doping as substitutional defects on the structural, electronic, magnetic, and thermodynamic characteristics of the L

1_{0} -

FeNi alloy. The aim of this study was to explore their potential applications as alternatives to rare-earth permanent magnets. Two types of substitutional Co-doping (O_Ni/O_Fe) in the Ni/Fe-site of the parent alloy have been investigated. The computed formation energy indicates that the incorporation of cobalt defects increases the structural stability of tetragonally distorted L₁₀FeNi via Co-doping. The results we obtained demonstrate that the FeNi:Co (O_Ni) in the L₁₀-structure has a large enhancement in magnetic moments and saturation magnetization (M_s), whereas for the FeNi:Co (O_Fe), has a small reduction in M_s. Furthermore, reducing the concentration of cobalt in L₁₀ FeNi:Co alloys is advantageous in diminishing the volumetric thermal expansion coefficient, consequently lowering the Debye temperature and weakening atom interactions. Therefore, Co-substituted FeNi alloys hold promise as potential candidates for rare-earth-free permanent magnets.

本研究采用密度泛函理论（DFT）进行计算分析，研究钴掺杂作为取代缺陷对l10−FeNi合金结构、电子、磁性和热力学特性的影响。本研究的目的是探索它们作为稀土永磁体替代品的潜在应用。研究了母合金Ni/ fe位上的两种取代共掺杂（ONi/OFe）。计算的形成能表明，钴缺陷的掺入提高了共掺杂L10FeNi的结构稳定性。结果表明，FeNi:Co （ONi）在L10结构中的磁矩和饱和磁化强度（Ms）有较大的增强，而FeNi:Co （OFe）的Ms有较小的降低。此外，降低L10 FeNi:Co合金中钴的浓度有利于减小体积热膨胀系数，从而降低Debye温度，减弱原子相互作用。因此，共取代FeNi合金有望成为无稀土永磁体的潜在候选材料。

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引用次数: 0

Gamma-ray induced luminescence from diamonds 钻石的伽马射线致发光

IF 2.1 4区物理与天体物理 Q3 PHYSICS, CONDENSED MATTER

Solid State Communications

Pub Date : 2024-11-26 DOI: 10.1016/j.ssc.2024.115770

Toshihiro Nakamura , Tomoaki Nishimura , Kazuo Kuriyama , Tohru Nakamura , Atsushi Kinomura

Gamma-ray induced luminescence from various types of diamonds is investigated at room temperature. The diamonds are irradiated with gamma-ray of 1.17 and 1.33 MeV from a cobalt-60 source. The luminescence from micron-sized and bulk diamonds is observed with a peak at around 525 nm in the range from 400 nm to 850 nm. The main peak is attributed to the Ni related S center. For nano-sized diamond, the luminescence peak consisting of emission bands at 410 and 450 nm appears due to dislocation A-band and ND1 center. Observed luminescence suggests the possibility of the extended red emission in the 550–900 nm range from diamond dust induced by the electromagnetic waves such as gamma rays in outer space.

在室温下研究了不同类型金刚石的伽玛射线致发光。钻石被来自钴60源的1.17和1.33兆电子伏特的伽马射线照射。在400 ~ 850 nm范围内，微米级金刚石和块状金刚石的发光峰在525 nm左右。主峰归属于与Ni相关的S中心。对于纳米级金刚石，由于位错a带和ND1中心的存在，在410和450 nm处出现由发射带组成的发光峰。观察到的发光表明，钻石尘埃在550-900纳米范围内可能是由外层空间的伽马射线等电磁波引起的。

引用次数: 0

Optical response of WSe2-based vertical tunneling junction 基于 WSe2 的垂直隧道结的光学响应

IF 2.1 4区物理与天体物理 Q3 PHYSICS, CONDENSED MATTER

Solid State Communications

Pub Date : 2024-11-24 DOI: 10.1016/j.ssc.2024.115756

K. Walczyk , G. Krasucki , K. Olkowska-Pucko , Z. Chen , T. Taniguchi , K. Watanabe , A. Babiński , M. Koperski , M.R. Molas , N. Zawadzka

Layered materials have attracted significant interest because of their unique properties. Van der Waals heterostructures based on transition-metal dichalcogenides have been extensively studied because of potential optoelectronic applications. We investigate the optical response of a light-emitting tunneling structure based on a WSe₂ monolayer as an active emission material using the photoluminescence (PL) and electroluminescence (EL) experiments performed at low temperature of 5 K. We found that the application of the bias voltage allows us to change both a sign and a value of free carriers concentrations. Consequently, we address the several excitonic complexes emerging in PL spectra under applied bias voltage. The EL signal was also detected and ascribed to the emission in a high-carrier-concentration regime. The results show that the excitation mechanisms in the PL and EL are different, resulting in various emissions in both types of experimental techniques.

层状材料因其独特的性能而备受关注。基于过渡金属二卤化物的范德华异质结构具有潜在的光电应用前景，因此受到了广泛的研究。我们利用在 5 K 低温条件下进行的光致发光（PL）和电致发光（EL）实验，研究了基于 WSe2 单层作为活性发射材料的发光隧道结构的光学响应。因此，我们解决了在施加偏置电压的情况下，PL 光谱中出现的几种激子复合物的问题。我们还检测到了 EL 信号，并将其归因于高载流子浓度机制下的发射。结果表明，聚光和电致发光的激发机制不同，从而导致这两种实验技术产生了不同的发射。

引用次数: 0

Inspecting the structural stability, magneto-opto-electronic, and transport characteristics of half-metallic ferromagnets double perovskite oxide (Sr2MoSbO6): A DFT study 半金属铁磁体双钙钛矿氧化物（Sr2MoSbO6）结构稳定性、磁光电子和输运特性的DFT研究

IF 2.1 4区物理与天体物理 Q3 PHYSICS, CONDENSED MATTER

Solid State Communications

Pub Date : 2024-11-23 DOI: 10.1016/j.ssc.2024.115763

Nazia Iram , Dalia Fouad , Ramesh Sharma , Abhinav Kumar

The structural, elastic, mechanical, electronic, thermoelectric, and magnetic properties of the double perovskite Sr₂MoSbO₆ have investigated in this manuscript using Perdew-Burke-Ernzerhof Generalized Gradient Approximation (PBE-GGA) with an enhanced Trans Blaha modified Becke Johnson potential (TB-mBJ) approach. Through electro-magnetic and elastic exploration, we have determined that this compound is semiconductor, ferromagnetic, and brittle. Strong hybridisation between the Mo and Sr-d orbitals was seen in the Density of states (DOS) results, which, according to their relative quantities, supports the two states' ionic nature. The Mo atoms contribute significantly to the overall magnetic moment, which is 3.0 μB in total. The semiconducting nature of Sr₂MoSbO₆ is confirmed by the calculation of the overall electronic parameters. Calculations of thermodynamic parameters for temperature ranges of 0–1200 K and pressure ranges of roughly 0–30 GPa show good agreement between theoretical and experimental data. The DFT Boltzmann transport equations have been used to compute thermoelectric properties in relation to temperature and chemical potential. The p-type character of Sr₂MoSbO₆ is identified by positive values of the Seebeck coefficient. The power factor (PF), Seebeck coefficient (S), figure of merit (ZT), electrical conductivity, and lattice thermal conductivity were also calculated. It was discovered that this perovskite had a merit figure that was almost equal to one, a very high Seebeck coefficient, and strong electrical conductivity—all of which are consistent with its semiconductor nature. These findings suggest a substance with a great deal of promise for thermoelectrical uses. The results are taken into consideration for future experiments and may be future candidates for spintronics applications.

本文使用Perdew-Burke-Ernzerhof广义梯度近似（PBE-GGA）和增强的Trans Blaha修饰的Becke - Johnson势（tbj）方法研究了双钙钛矿Sr2MoSbO6的结构、弹性、机械、电子、热电和磁性能。通过电磁和弹性探测，我们确定这种化合物是半导体、铁磁性和脆性的。在态密度（DOS）结果中可以看到Mo和Sr-d轨道之间强烈的杂化，根据它们的相对数量，支持这两个态的离子性质。Mo原子对总磁矩的贡献较大，总磁矩为3.0 μB。通过对Sr2MoSbO6整体电子参数的计算，证实了其半导体性质。在0 - 1200k温度范围和0 - 30gpa压力范围内的热力学参数计算表明，理论和实验数据吻合良好。DFT玻尔兹曼输运方程已被用于计算与温度和化学势有关的热电性质。Sr2MoSbO6的p型特性可以通过Seebeck系数的正值来识别。计算了功率因数（PF）、塞贝克系数(S)、优值图（ZT）、电导率和晶格导热系数。人们发现，这种钙钛矿的优点值几乎等于1，塞贝克系数非常高，导电性很强，所有这些都符合它的半导体性质。这些发现表明，这种物质在热电应用方面有很大的前景。这些结果被考虑到未来的实验中，并可能成为自旋电子学应用的未来候选人。

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引用次数: 0

Structural, elastic, and opto-electronic conduct of half Heusler Li(Ca, Mg, Zn)N alloys: Ab initio computation 半Heusler Li(Ca, Mg, Zn)N合金的结构、弹性和光电导电性：从头计算

IF 2.1 4区物理与天体物理 Q3 PHYSICS, CONDENSED MATTER

Solid State Communications

Pub Date : 2024-11-22 DOI: 10.1016/j.ssc.2024.115765

Mohammed Miri , Younes Ziat , Hamza Belkhanchi , Youssef Ait El Kadi

In this study, we investigated the half-Heusler semiconductor LiYN (Y = Ca, Mg and Zn) under pressure using DFT implemented in Wien2k to find materials more suitable for optoelectronic applications. At a pressure of 10 GPa, we observe a transition in bandgap type for LiCaN and LiMgN, from indirect to direct bandgaps for LiCaN, and from direct to indirect for LiMgN. This transition was determined by analyzing the critical points of the valence and conduction bands, as well as the associated wave vectors, via electronic band structure calculations. For LiZnN, on the other hand, the band gap remains direct at 10 GPa, confirming the stability of this compound's optical character under pressure. The gap energy values increase with increasing pressure in percentages 16.8 %, 17.9 % and 81.4 % for LiCaN, LiMgN and LiZnN, respectively. The elements studied have cubic structures with three main elastic coefficients: C₁₁, C₁₂ and C₄₄. These constants, which are key to understanding material stabilities, vary with increasing pressure. Optical properties such as the imaginary and real parts of the dielectric complex function, absorption coefficient, reflectivity and refractive index are calculated and described in detail.

在这项研究中，我们使用在Wien2k中实现的DFT研究了压力下的半heusler半导体LiYN (Y = Ca， Mg和Zn)，以寻找更适合光电应用的材料。在10 GPa的压力下，我们观察到LiCaN和limn的带隙类型发生了转变，LiCaN从间接带隙到直接带隙，limn从直接带隙到间接带隙。这种转变是通过分析价带和导带的临界点，以及相关的波矢量，通过电子带结构计算确定的。另一方面，对于LiZnN，带隙在10gpa时保持直接，证实了该化合物在压力下光学特性的稳定性。LiCaN、limn和LiZnN的能隙值随压力的增加分别增加16.8%、17.9%和81.4%。所研究的元件具有三种主要弹性系数：C11、C12和C44的立方结构。这些常数是理解材料稳定性的关键，它们随压力的增加而变化。计算并详细描述了介质复函数的虚部和实部、吸收系数、反射率和折射率等光学性质。

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引用次数: 0

Improved structural calculations of bulk and monolayer TaX2 (X = S, Se) using DFT-D, and comparison of their electronic and elastic properties 利用 DFT-D 改进块体和单层 TaX2（X = S、Se）的结构计算，并比较其电子和弹性特性

IF 2.1 4区物理与天体物理 Q3 PHYSICS, CONDENSED MATTER

Solid State Communications

Pub Date : 2024-11-22 DOI: 10.1016/j.ssc.2024.115762

Masoume Mansouri , Abdol-Mohammad Ghalambor Dezfuli , Hamdollah Salehi

In recent decades, transition metal dichalcogenides have emerged as promising platforms for integrating electronic and optical properties in both bulk and monolayer forms. Among these, TaX₂ (X = S, Se) materials exhibit significant characteristics such as charge density waves, strong optical responses, and superconducting behavior, making them suitable for flexible electronics, photonics, and energy storage. This study provides a detailed calculation of van der Waals forces' effects on the structural, elastic, and electronic properties of bulk and monolayer TaX₂, utilizing the DFT-D method and comparing results with LDA and GGA approximations. DFT-D calculations reveal that the lattice constants of bulk TaS₂ and TaSe₂ differ from experimental values by only 0.54 % and 0.13 %, respectively, indicating a more accurate estimation than LDA and GGA. The bulk TaX₂ band structure shows overlapping conduction and valence bands near the Fermi level, suggesting metallic properties. However, transitioning to monolayer structures eliminates this overlap and modifies the band positions, affecting the band gap and orbital characters. The DFT-D calculations yield band gaps of 0.72 eV for monolayer TaS₂ and 0.64 eV for TaSe₂. Furthermore, mechanical analysis confirms the structural stability of TaX₂ in both bulk and monolayer forms, as verified by the Born stability criterion. Elastic constant calculations, alongside the extraction of Bulk and Shear moduli using Pugh's law (G/B < 0.571), indicate that both bulk and monolayer TaX₂ have flexible structures.

近几十年来，过渡金属二钙化物以块状和单层形式出现，成为集电子和光学特性于一体的前景广阔的平台。其中，TaX2（X = S、Se）材料表现出电荷密度波、强光学响应和超导行为等显著特点，使其适用于柔性电子学、光子学和能量存储。本研究利用 DFT-D 方法详细计算了范德华力对块体和单层 TaX2 的结构、弹性和电子特性的影响，并将计算结果与 LDA 和 GGA 近似值进行了比较。DFT-D 计算显示，块状 TaS2 和 TaSe2 的晶格常数与实验值分别只相差 0.54 % 和 0.13 %，表明其估计结果比 LDA 和 GGA 更准确。块状 TaX2 的能带结构在费米级附近显示出重叠的导带和价带，表明其具有金属特性。然而，过渡到单层结构后，这种重叠现象消失了，带的位置也发生了变化，从而影响了带隙和轨道特性。通过 DFT-D 计算，单层 TaS2 和 TaSe2 的带隙分别为 0.72 eV 和 0.64 eV。此外，力学分析证实，无论是块状还是单层形式的 TaX2，其结构都很稳定，博恩稳定性准则也验证了这一点。弹性常数计算以及利用普氏定律（G/B < 0.571）提取的体积和剪切模量表明，块状和单层 TaX2 都具有柔性结构。

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引用次数: 0