Physics of the Solid State最新文献_第3页

First-Principles Study of Structural, Electronic, Magnetic, and Thermodynamic Properties of Tetrataenite L10-FeNi Alloy 四钛铁矿 L10-FeNi 合金的结构、电子、磁性和热力学性质的第一原理研究

IF 0.9 4区物理与天体物理

Physics of the Solid State Pub Date : 2024-11-01 DOI: 10.1134/S1063783424601115

Z. Zine, N. Meftah

{"title":"First-Principles Study of Structural, Electronic, Magnetic, and Thermodynamic Properties of Tetrataenite L10-FeNi Alloy","authors":"Z. Zine, N. Meftah","doi":"10.1134/S1063783424601115","DOIUrl":"10.1134/S1063783424601115","url":null,"abstract":"Iron–nickel alloys have received substantial interest because of their exceptional properties and diverse applications in technology and industry. In order to investigate their possible applications, the current research explored the structural, electronic, magnetic, and thermodynamic characteristics of tetrataenite L({{1}_{0}})-FeNi alloy through a first-principles approach. The computations were carried out utilizing the density functional theory’s full-potential linearized augmented plane wave. For the electronic exchange-correlation function, we employed the generalized gradient approximation (GGA) and GGA+U (Hubbard potential). The computed lattice parameter and bulk moduli for tetrataenite L({{1}_{0}})-FeNi exhibit excellent accord with previously reported data. The formation energy was calculated to be –0.18 eV/f.u. which confirming the structural stability of tetrataenite. The electronic structure revealed that the 3d orbitals of Ni and Fe are major elemental states that contribute to the metallic characteristics of the body-centered tetragonal (bct) L({{1}_{0}})-FeNi. Meanwhile, the thermodynamic characters are investigated using the quasi-harmonic Debye mode. The thermal expansion coefficient and the heat capacities are affected simultaneously by the pressure and temperature.","PeriodicalId":731,"journal":{"name":"Physics of the Solid State","volume":"66 10","pages":"416 - 423"},"PeriodicalIF":0.9,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142565872","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Raman Evidence for Pressure-Induced Phase Transition in Barium Carbonate 碳酸钡中压力诱导相变的拉曼证据

IF 0.9 4区物理与天体物理

Physics of the Solid State Pub Date : 2024-10-02 DOI: 10.1134/S1063783424600985

Jizhen Hui, Anwar Hushur, Amat Hasan

{"title":"Raman Evidence for Pressure-Induced Phase Transition in Barium Carbonate","authors":"Jizhen Hui, Anwar Hushur, Amat Hasan","doi":"10.1134/S1063783424600985","DOIUrl":"10.1134/S1063783424600985","url":null,"abstract":"Raman scattering experiments were performed on barium carbonate at ambient temperature and high pressure within a hydrostatic environment, employing liquid nitrogen as the pressure-transmitting medium. This approach allowed for the investigation of hydrostatic pressure effects on the barium carbonate structure. Previous studies suggest that the stability threshold of the orthorhombic barium carbonate structure lies around 8 GPa. At pressures ranging from 8 to 10 GPa, the material exhibited a mixed phase. Upon reaching 10 GPa, the orthorhombic structure of barium carbonate vanished, giving way to a transformation into the trigonal phase. The phase transition significantly impacted the intensity of the Raman spectra, in-dicating an influence on the electronic structure, notably causing the electron cloud to rearrange and the bond character to alter. The re-emergence of the orthorhombic phase at a reduced pressure of 5.3 GPa und-erscored the pronounced hysteresis phenomena associated with the phase transition of barium carbonate. We determined that, while this phase transition is reversible upon pressure release, it is accompanied by persistent characteristic peaks of the trigonal phase, suggesting incomplete transformation back to the orthorhombic phase during decompression, with the residual proportion of the trigonal phase constituting approximately 12%.","PeriodicalId":731,"journal":{"name":"Physics of the Solid State","volume":"66 9","pages":"318 - 326"},"PeriodicalIF":0.9,"publicationDate":"2024-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142409539","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Analysis of Copper (II) Mixed Ligand Complexes Using Extended X-ray Absorption Fine Structure Data 利用扩展 X 射线吸收精细结构数据分析铜 (II) 混合配体配合物

IF 0.9 4区物理与天体物理

Physics of the Solid State Pub Date : 2024-10-02 DOI: 10.1134/S1063783424600870

Sudhir Sawasiya, Pramod Kumar Malviya

{"title":"Analysis of Copper (II) Mixed Ligand Complexes Using Extended X-ray Absorption Fine Structure Data","authors":"Sudhir Sawasiya, Pramod Kumar Malviya","doi":"10.1134/S1063783424600870","DOIUrl":"10.1134/S1063783424600870","url":null,"abstract":"X-ray absorption fine structure (XAFS) has been studied at the K-edge of copper in copper(II) complexes: Cu(L1)2Cl2·2H2O (1), Cu(L2)2SO4·5H2O (2), Cu(L3)2SO4·5H2O (3) and Cu(L4)2SO4·5H2O (4), where L1 = salicylaldehyde benzoyl hydrazine (SBH), L2 = 5-nitro SBH, L3 = 5-methyl SBH, and L4 = 5‑bromo SBH. Cu K-Edge EXAFS beamline (BL-09) at 2.5 GeV established at Indus-2, RRCAT, Indore, India, was used to describe the data. Using the published crystal structures of each of these complexes, theoretical models have been created individually. Coordination numbers and bond length are among the characteristics of the structural that have been identified by fitting these theoretical models to the corresponding experimental EXAFS data. The first peak’s position in the Fourier transform, as well as the graphical technique of Levy, Lytle, and L.S.S., provide the value of the first shell bond length. The bond lengths of the complexes in study have been experimentally determined using the Levy, Lytle, and L.S.S. approach. These approaches’ outcomes have been compared to those of a theoretical approach.","PeriodicalId":731,"journal":{"name":"Physics of the Solid State","volume":"66 9","pages":"341 - 348"},"PeriodicalIF":0.9,"publicationDate":"2024-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142409537","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Overview on Spinel Oxides: Synthesis and Applications in Various Fields 尖晶石氧化物概述：合成及在各领域的应用

IF 0.9 4区物理与天体物理

Physics of the Solid State Pub Date : 2024-10-02 DOI: 10.1134/S1063783424601073

Davuluri Srikala, S. D. Kaushik, Maya Verma

引用次数: 0

Oxide Coated Noble Metal Nanoparticles in Biosensors: Analytical Modeling and Discrete Dipole Approximation Method 生物传感器中的氧化物涂层贵金属纳米粒子：分析建模和离散偶极近似法

IF 0.9 4区物理与天体物理

Physics of the Solid State Pub Date : 2024-10-02 DOI: 10.1134/S1063783424600833

Adil Bouhadiche, Soulef Benghorieb

{"title":"Oxide Coated Noble Metal Nanoparticles in Biosensors: Analytical Modeling and Discrete Dipole Approximation Method","authors":"Adil Bouhadiche, Soulef Benghorieb","doi":"10.1134/S1063783424600833","DOIUrl":"10.1134/S1063783424600833","url":null,"abstract":"Noble metal nanoparticles (NMNPs), such as gold and silver, have been studied extensively in various fields in science and technology due to their peculiar properties, including high stability, easy chemical synthesis, tuneable surface functionalization and plasmonic property. Researchers have used them to fabricate biosensors. Indeed, biosensors have received a lot of attention because they enable the production of small, portable devices. The biosensor industry has grown; design attempts to improve and strengthen their detection characteristics and reduce their volumes. Enzymes are generally used to provide high selectivity and sensitivity; however, their short shelf life becomes a major drawback. Scientists have tried to find other materials to replace enzymes; having long-term stability and suitability for biosensors. Nanoparticles and metal oxides substituting enzymes in sensing devices represent the best candidate to achieve high selectivity and sensitivity. Herein, coated noble metal nanoparticles of various shapes and sizes, including nanospheres, nanowires, nanocubes and nanocylinders, are dispersed in surrounding media with different refractive indices to study, via the discrete dipole approximation (DDA) method, the response of their surface plasmon peaks. For this, a simulation model is proposed for the calculations of the plasmonic properties of the considered NPs, and analytical formulas are presented. The refractive index sensitivities (RISs) have been found to depend on the shape, size, core material, shell thickness and shell composition of the nanoparticles. LSPR sensors based on gold nanoparticles (AuNPs) exhibit the lowest RISs compared to the Ag and Al based nanosensors with a value of 93.33 nm/RIU (Ag) > 46 nm/RIU (Al) > 26 nm/RIU (Au), X = 5 nm. Numerical data clearly explain why silver is the plasmon material of choice for sensing applications.","PeriodicalId":731,"journal":{"name":"Physics of the Solid State","volume":"66 9","pages":"299 - 312"},"PeriodicalIF":0.9,"publicationDate":"2024-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142409533","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Near-Infrared Emission in Na5Y(WO4)4:Nd3+ Na5Y(WO4)4:Nd3+ 中的近红外发射

IF 0.9 4区物理与天体物理

Physics of the Solid State Pub Date : 2024-10-02 DOI: 10.1134/S1063783424601188

Ashvini Pusdekar, N. S. Ugemuge, R. A. Nafdey, S. V. Moharil

引用次数: 0

Thermodynamic and Magnetic Properties of Heavy Fermion UTe2 Superconductor 重费米子UTe2 超导体的热力学和磁学特性

IF 0.9 4区物理与天体物理

Physics of the Solid State Pub Date : 2024-10-02 DOI: 10.1134/S1063783424600729

Habtamu Anagaw, Gebregziabher Kahsay, Tamiru Negussie

{"title":"Thermodynamic and Magnetic Properties of Heavy Fermion UTe2 Superconductor","authors":"Habtamu Anagaw, Gebregziabher Kahsay, Tamiru Negussie","doi":"10.1134/S1063783424600729","DOIUrl":"10.1134/S1063783424600729","url":null,"abstract":"In the current study, the density of state, condensation energy, specific heat, and magnetization in a spin triplet superconductor UTe2 have been theoretically investigated. By utilizing the retarded double-time temperature-dependent Green’s function formalism and constructing a model Hamiltonian for the system, we derived expressions for the aforementioned parameters. MATLAB scripts were used to plot the phase diagrams. From the phase diagrams, we observed that the density of state of superconducting electron increases with excitation energy, reaching a maximum at the superconducting gap. Beyond this point, it decreases until it equals the normal state density. Condensation energy decreases with temperature, reaching a minimum at the superconducting transition temperature (TC). However, it increases with TC and eventually becomes zero, indicating that the superconducting and normal state energies are equal. Furhermore, specific heat increases with temperature, exhibiting a maximum at TC followed by a jump, characteristic of a second-order phase transition from the superconducting to the normal state. Both itinerant and localized electron magnetization decrease with temperature, vanishing at TC = 1.6 K and magnetic phase transition temperature T = 2 K, respectively, signifying a ferromagnetic to paramagnetic transition. Our findings align well with previous research.","PeriodicalId":731,"journal":{"name":"Physics of the Solid State","volume":"66 9","pages":"349 - 363"},"PeriodicalIF":0.9,"publicationDate":"2024-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142409536","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Modeling the Size Dependence of Specific Heat Capacity and Thermal Expansion Coefficient of Metallic Nanocrystals 金属纳米晶体比热容和热膨胀系数的尺寸依赖性建模

IF 0.9 4区物理与天体物理

Physics of the Solid State Pub Date : 2024-10-02 DOI: 10.1134/S1063783424600808

Hongchao Sheng, Beibei Xiao, Xiaobao Jiang

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Ab Initio Study of Y Doping Effects on Electronic Structure and Magnetic Properties in Rh2Mn1–xYxZ (Z = Ge, Sn) Y 掺杂对 Rh2Mn1-xYxZ （Z = Ge、Sn）中电子结构和磁性能影响的 Ab Initio 研究

IF 0.9 4区物理与天体物理

Physics of the Solid State Pub Date : 2024-10-02 DOI: 10.1134/S1063783423600401

A. Lekhal, F. Z. Benkhelifa, A. Zaoui

{"title":"Ab Initio Study of Y Doping Effects on Electronic Structure and Magnetic Properties in Rh2Mn1–xYxZ (Z = Ge, Sn)","authors":"A. Lekhal, F. Z. Benkhelifa, A. Zaoui","doi":"10.1134/S1063783423600401","DOIUrl":"10.1134/S1063783423600401","url":null,"abstract":"The electronic and magnetic properties of the doped Heusler alloys Rh2Mn1–xYxGe and Rh2Mn1‒xYxSn (x = 0, 0.25, 0.5, 0.75, 1) have been performed within the first-principles density functional theory (DFT) using the generalized gradient approximation (GGA) scheme, with the disordered structures. The calculated results reveal that with increasing Y content, the lattice parameter slightly increases except x = 0.5 for Rh2Mn1–xYxSn. For both quaternary alloys it is found the local moments of Mn(Y) and Rh basically show a linear decreasing trend with increasing doping concentration and the total magnetic is negligible for x = 1. The minority-spin band component at the Fermi level for Rh2Mn1–xYxGe and Rh2Mn1–xYxSn decreases while the majority-spin band component at the Fermi is less affected with the substitution of Y atoms for Mn atoms.","PeriodicalId":731,"journal":{"name":"Physics of the Solid State","volume":"66 9","pages":"279 - 290"},"PeriodicalIF":0.9,"publicationDate":"2024-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142409469","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Optimization of Spin-Polarized Current Induced Domain Wall Velocity in a Magnetic Nano Stripe Using Sinc Pulse—A Computational Study 利用 Sinc 脉冲优化磁性纳米条纹中自旋极化电流诱导的畴壁速度--计算研究

IF 0.9 4区物理与天体物理

Physics of the Solid State Pub Date : 2024-09-05 DOI: 10.1134/S1063783424600572

Madhurima Sen, Saswati Barman

{"title":"Optimization of Spin-Polarized Current Induced Domain Wall Velocity in a Magnetic Nano Stripe Using Sinc Pulse—A Computational Study","authors":"Madhurima Sen, Saswati Barman","doi":"10.1134/S1063783424600572","DOIUrl":"10.1134/S1063783424600572","url":null,"abstract":"Domain wall propagation and domain wall structure in spin dynamics play a crucial role in the development of new efficient memory devices. A transverse domain wall in the finite straight permalloy nanostrip has been investigated by applying the different normalized sinc current pulses and observing its motion. In addition, it has been observed that domain wall velocity gradually increases with the increase of the pulse period of the sinc pulse current. Furthermore, the pulse scale plays another crucial role in improving the domain wall velocity. Domain Wall velocity can be increased again by changing the non-adiabatic parameter. This study has successfully found the optimal values of the non-adiabatic parameter β and a scaler factor k that can be multiplied to pulse scale resulting in the highest domain wall velocity in particularly low current. It significantly established another control mechanism on the domain wall by varying the pulse scale and pulse period of the sinc pulse current. The present work shows that domain wall motion inside magnetic nano strips may be controlled with high efficiency and reliability using spin-polarized current pulse by solving the LLG equation and the object oriented micromagnetic framework (OOMMF) simulator. The development of racetrack memory technologies with enhanced data storing capacity will be significantly impacted by this study.","PeriodicalId":731,"journal":{"name":"Physics of the Solid State","volume":"66 8","pages":"235 - 244"},"PeriodicalIF":0.9,"publicationDate":"2024-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142193286","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0