Article
Chemistry, Physical
Kulbhushan Mishra, P. A. Bhobe
Summary: In this study, the effect of different types of disorder on the electronic and magnetic properties of Mn2FeSi was investigated through theoretical calculations and experimental study. It was found that B2-type disorder might lead to the formation of secondary phases in stoichiometric Mn2FeSi, while substitution of Al can stabilize the phase purity. Magnetization measurements revealed an antiferromagnetic behavior in all compositions, with a deviation from the Curie-Weiss law observed in the x = 0.1 composition, possibly due to competing magnetic interactions.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Gao Wang, Chunrong Li, Jindi Feng, Zhenhua Zhang, Xiaojuan Yuan, Yong Liu, Shupeng Song, Jing Liu, Dengjing Wang, Zhihong Lu, Rui Xiong
Summary: The study shows that the partial substitution of Mn or Fe for Co atoms can suppress the formation of Co-Cr antisite defect, leading to better tolerance for atomic disorder in CoMnCrAl or CoFeCrAl. Additionally, CoMnCrAl exhibits a negative temperature coefficient of resistance in the range of 10-273 K. These quaternary alloys have low magnetization, decently high Curie temperature, and robust half metallicity, making them promising for spintronic applications.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Materials Science, Multidisciplinary
Tongyou Lu, Xiangyu Shi, Jianqiang Li, Songwei Bai, Heyan Liu, Hongzhi Luo
Summary: Equiatomic quaternary Heusler alloy CoMnNiSn has been synthesized and studied for its structural, magnetic, and electronic properties, revealing important characteristics for the design of magnetic shape memory alloys.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
(2022)
Article
Chemistry, Physical
Payal Saha, Bhargab Kakati, Purbajyoti Bhagowati, Munima B. Sahariah
Summary: This study investigates the impact of spin-orbit coupling (SOC) on the electronic and magnetic properties of Mn1.5PtSn compound using density functional theory. Regardless of SOC, ferrimagnetic configuration is found to be more stable at the ground state compared to ferromagnetic and antiferromagnetic configurations. The SOC affects the ground state energy of the compounds, and various analysis methods provide insights into the magnetic and electronic properties of the system. The stable ferrimagnetic configuration shows high spin polarization and low magnetocrystalline anisotropy energy, making it suitable for spin-transfer-torque-based device applications like magnetic recording heads.
Review
Materials Science, Multidisciplinary
Sheron Tavares, Kesong Yang, Marc A. Meyers
Summary: Heusler alloys have emerged as exciting materials for various functional applications due to their ordered structure and unique properties. This review article discusses the discovery, magnetic and electronic properties, mechanical properties, and computational design of Heusler alloys. It also explores the challenges and future directions in this field.
PROGRESS IN MATERIALS SCIENCE
(2023)
Article
Chemistry, Inorganic & Nuclear
M. Lazizi, M. Harmel, M. Mokhtari, F. Dahmane, R. Khenata, N. Badi, A. Bouhemadou, T. Seddik, H. Khachai, S. Bin Omran
Summary: The structural, electronic, magnetic and thermodynamic properties of XFeGe (X = Co, Cr, Ni) half Heusler compounds are studied using first-principles calculation. CoFeGe exhibits a half-metallic character, while NiFeGe and CrFeGe are metallic. The magnetic moment mainly originates from the Fe atoms. The equilibrium volume at different temperatures, heat capacity, and elastic constants are calculated.
INORGANIC CHEMISTRY COMMUNICATIONS
(2022)
Article
Energy & Fuels
Vipul Srivastava, Navdeep Kaur, Xiaotian Wang, Muhammad Mushtaq, Sajad Ahmad Dar
Summary: The Mn2PtCo Heusler alloy was studied for its structural, electronic, magnetic, mechanical, and thermodynamic properties using density functional theory. The alloy was found to have a ferromagnetic phase and metallic character with a magnetic moment in accordance with the Slater-Pauling rule. The analysis also revealed the brittle nature of the alloy. In addition, thermodynamic properties were estimated for potential applications in device fabrication.
INTERNATIONAL JOURNAL OF ENERGY RESEARCH
(2021)
Article
Chemistry, Physical
A. F. Manchon-Gordon, J. J. Ipus, M. Kowalczyk, J. S. Blazquez, C. F. Conde, P. Svec, T. Kulik, A. Conde
Summary: The influence of fabrication method on the magnetostructural properties of Ni55Fe19Ga26 Heusler alloy was analyzed, showing differences in martensitic structure and transformation temperature between ribbon and bulk samples. The different grain sizes led to varied phase transformation behaviors, with martensitic transformation occurring mainly in the paramagnetic regime.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Review
Chemistry, Physical
Vinicius G. de Paula, Mario S. Reis
Summary: All-d-metal Heusler alloys demonstrate enhanced mechanical properties and large caloric effects by suppressing p-d covalent hybridization, offering a promising approach for functional improvement in this class of alloys. This has sparked interest among researchers and opened up new pathways for further exploration in optimizing the properties of Heusler alloys.
CHEMISTRY OF MATERIALS
(2021)
Article
Chemistry, Physical
Atakan Tekgul
Summary: The Ni-54(FeMn)(19)Ga-27 Heusler alloy exhibits a mixed-phase structure with ferromagnetic to paramagnetic phase transition at room temperature and a high Curie temperature. The alloy has a saturation magnetization of 53.97 Am(2)kg(-1) under 2 T magnetic field and shows a second-order phase transition with a magnetic entropy change of about 1.5 J kg(-1)K(-1) under the same magnetic field.
Article
Chemistry, Physical
Kavita Yadav, K. Mukherjee
Summary: Heusler alloy Fe2CrAl demonstrates various magnetic behaviors, and the partial substitution of Mo at the Cr site has a significant impact on its physical properties, including changes in TC and the existence of the CG phase.
Article
Chemistry, Physical
Sanchayita Mondal, Krishanu Ghosh, R. Ranganathan, Eric Alleno, Chandan Mazumdar
Summary: We studied the structural, magnetic, heat capacity and thermoelectric properties of a Ru-based Heusler alloy, Ru2TiGe. The magnetic measurements showed that diamagnetic and Pauli paramagnetic contributions dominated the magnetic behavior at higher temperatures, while superparamagnetic interaction among clusters was observed at lower temperatures (T≤20K). However, the development of this magnetism did not significantly affect the thermoelectric properties. The Ru2TiGe alloy exhibited a metal-like nature in terms of temperature dependence of electrical resistivity, and the high Seebeck coefficient resulted in a power factor of 0.54 mW/mK2 at 300K. The combination of a large power factor and low thermal conductivity led to a zT value of 0.025 at 390K, which was orders of magnitude higher than other pure Heusler alloys, indicating its high potential for practical thermoelectric applications.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Chemistry, Physical
Bal Govind, Purnima Bharti, Ashish Kumar, Sahiba Bano, Satyendra Singh, V. P. S. Awana
Summary: The effect of Sn doping at the Sb site in Mn2NiSb1-XSnX full-Heusler alloys has been investigated. The results show that the structure and magnetization of the alloys are influenced by the Sn content. These findings are significant for studying the interaction between different magnetic phases and developing suitable materials for spintronic applications.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Materials Science, Multidisciplinary
Jianqiang Li, Songwei Bai, Heyan Liu, Hongzhi Luo, Fanbin Meng
Summary: A series of Fe2CoSi1-xBx Heusler alloys were synthesized using the melt-spinning method, where B substitution for Si affected the phase structure and magnetic properties. With increasing B content, changes in Curie temperature and saturation magnetization were observed.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
(2022)
Article
Materials Science, Multidisciplinary
Ruirui Gao, Shuang Liu, Tongyou Lu, Jianqiang Li, Songwei Bai, Heyan Liu, Hongzhi Luo
Summary: A series of Mn2Fe1-xCoxGa Heusler alloys were synthesized and studied for their crystal structure, magnetic properties, and electronic structure. It was found that Co doping can increase the stability of the BCC phase and induce ferromagnetic behavior. These alloys exhibit high spin polarization ratio, making them potential candidates for spintronic applications.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
(2022)
Article
Physics, Applied
Z. Y. Wei, E. K. Liu, Y. Li, X. L. Han, Z. W. Du, H. Z. Luo, G. D. Liu, X. K. Xi, H. W. Zhang, W. H. Wang, G. H. Wu
APPLIED PHYSICS LETTERS
(2016)
Article
Chemistry, Physical
Hongzhi Luo, Yuepeng Xin, Bohua Liu, Fanbin Meng, Heyan Liu, Enke Liu, Guangheng Wu
JOURNAL OF ALLOYS AND COMPOUNDS
(2016)
Article
Chemistry, Physical
Yuexing Ma, Hongyue Hao, Xiaotong Liu, Hongzhi Luo, Heyan Liu, Fanbin Meng, Bohua Liu
Article
Chemistry, Physical
Yuepeng Xin, Hongyue Hao, Yuexing Ma, Hongzhi Luo, Fanbin Meng, Heyan Liu, Enke Liu, Guangheng Wu
Article
Chemistry, Physical
Yuexing Ma, Zhaoning Ni, Hongzhi Luo, Heyan Liu, Fanbin Meng, Enke Liu, Wenhong Wang, Guangheng Wu
Article
Chemistry, Physical
Yuexing Ma, Hongyue Hao, Yuepeng Xin, Hongzhi Luo, Heyan Liu, Fanbin Meng, Enke Liu
Article
Chemistry, Physical
Xiaoqi Liao, Yu Wang, Genlian Fan, Enke Liu, Jiaruo Shang, Sen Yang, Hongzhi Luo, Xiaoping Song, Xiaobing Ren, Kazuhiro Otsuka
JOURNAL OF ALLOYS AND COMPOUNDS
(2017)
Article
Chemistry, Physical
Fanbin Meng, Hongyue Hao, Yuexing Ma, Xingmiao Guo, Hongzhi Luo
JOURNAL OF ALLOYS AND COMPOUNDS
(2017)
Article
Materials Science, Multidisciplinary
Yuepeng Xin, Yuexing Ma, Hongyue Hao, Hongzhi Luo, Fanbin Meng, Heyan Liu, Enke Liu, Guangheng Wu
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
(2017)
Article
Chemistry, Physical
Yuexing Ma, Hongyue Hao, Xiaotong Liu, Hongzhi Luo, Fanbin Meng, Heyan Liu
Article
Materials Science, Multidisciplinary
Zhaoning Ni, Yuexing Ma, Xiaotong Liu, Hongzhi Luo, Heyan Liu, Fanbin Meng
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
(2018)
Article
Materials Science, Multidisciplinary
Xingmiao Guo, Zhaoning Ni, Zhengyu Liang, Hongzhi Luo
COMPUTATIONAL MATERIALS SCIENCE
(2018)
Article
Chemistry, Physical
Qingshuai Li, Kaichen Sun, Shuang Liu, Hongzhi Luo, Fanbin Meng
Article
Chemistry, Physical
Hongzhi Luo, Shuang Liu, Kaichen Sun, Ruirui Gao, Xiangyu Shi, Enke Liu
Article
Physics, Applied
Jianqiang Li, Songwei Bai, Heyan Liu, Hongzhi Luo, Fanbin Meng
Summary: Cu-doped Mn2NiGa1-xCux magnetic shape memory alloys were synthesized and their crystal structure, martensitic transformation, and magnetic and transport properties were studied. Unusual composition dependences of these properties were observed, such as changes in lattice parameter, martensitic transformation temperature, magnetization, and electron transport properties. Cu-doping also enhanced metallic bonding and improved mechanical properties.
APPLIED PHYSICS LETTERS
(2023)
Article
Physics, Condensed Matter
A. Jbeli, N. Zeiri, N. Yahyaoui, P. Baser, M. Said
Summary: The electronic and optical properties of CdSe/ZnSe semiconductor core/shell quantum dots with hydrogenic donor impurity were investigated theoretically. The perturbation and variational methods were used to calculate the binding energy, photoionization cross-section, polarizability, and diamagnetic susceptibility of the excited impurity under various conditions. A significant stark shift in the binding energy was observed under the influence of an external electric field.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
Rahat Batool, Tariq Mahmood, Sajid Mahmood, Abdul Aziz Bhatti
Summary: This study investigates the effects of alkali metal doping (Na, K, Cs) on MAPbI3 through compositional engineering. The results show that doping Na, K, and Cs can improve the phase stability, thermodynamic stability, and optical absorption of MAPbI3.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
N. A. N. M. Nor, M. A. H. Razali, W. H. A. W. K. Annuar, N. N. Alam, F. N. Sazman, N. H. M. Zaki, A. S. Kamisan, A. I. Kamisan, M. H. Samat, A. M. M. Ali, O. H. Hassan, B. U. Haq, M. Z. A. Yahya, M. F. M. Taib
Summary: This study investigates the potential of quaternary chalcogenides semiconductors as thin film solar cell absorbers using density functional theory (DFT) and density functional theory plus Hubbard U (DFT + U) approach. The results show that by applying Hubbard U terms, the electronic band gaps can be accurately predicted, providing valuable insights for finding cost-effective new thin film solar cell materials.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
Ashwani Kumar, Anuj Kumar, Mohaseen S. Tamboli, Mohd Ubaidullah, J. Jayarubi, S. K. Tripathi
Summary: In this study, lead-based perovskite solar cells are replaced by bismuth-based perovskite cells to overcome their instability and toxicity. CsBi3I10 perovskite films are fabricated using a modified drop-casting process, and the effects of post-annealing temperature on the morphological, structural, and optical properties are investigated. The photovoltaic performance of the cells without a hole transport layer is also quantitatively evaluated.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
Yang Gao, Shu-Ming Chen, Shuo Cao, Shang-Zhou Zhang, Philippe Djemia, Qing-Miao Hu
Summary: This study investigates the phase stability, elastic modulus, and hardness of ternary nitride Ti1-xAlxN. It is found that the hardness increases with the Al content x. The cubic B1 structure is more stable for x < about 0.75, while the hexagonal structure (B4) is more stable for x > about 0.75. The composition dependent hardness and phase decomposition contribute to the convex shaped hardness curve of Ti1-xAlxN.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
Fengqi Wang, Qinyan Ye, Xulin He, Kun Luo, Xiaolong Ran, Xingping Zheng, Cheng Liao, Ru Li
Summary: This report uses rigorous calculations based on density functional theory to study the piezoelectric and elastic properties of wurtzite aluminum nitride (w-AlN) with single- and co-alloying by Hf (or Zr) and Sc. The research finds that the (HfSc)0.375Al0.625N and (ZrSc)0.375Al0.625N with stable wurtzite phase have a large piezoelectric coefficient d33 of 49.18 pC/N and 47.00 pC/N, respectively. However, the piezoelectric voltage constant g33 and electromechanical coupling constant k233 of HfAlN, ZrAlN, HfScAlN, and ZrScAlN are smaller than that of ScAlN, which is attributed to the large dielectric constant epsilon 33 of Hf (or Zr) alloying samples. Furthermore, the calculations of internal parameter u and bond angle alpha elucidate the brittle-to-ductile transformation in alloying w-AlN crystal structure. Electronic structure calculations show that the bandgap decreases almost linearly with the increase of alloying concentration, and the Hf (or Zr) alloying compounds become n-type semiconductors due to the existing high-charge states.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
S. R. Athul, K. Arun, S. Swathi, U. D. Remya, Andrea Dzubinska, Marian Reiffers, Nagalakshmi Ramamoorthi
Summary: The magnetic and magnetocaloric characteristics of Ho6FeSb2 have been studied. The compound exhibits two second-order ferromagnetic transitions, enabling hysteresis-free magnetocaloric effect across a wide temperature range. The alloy has high relative cooling power and magnetoresistance, making it suitable for hysteresis-free magnetocaloric applications.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
Reena Sharma, Neelam Hooda, Ashima Hooda, Satish Khasa
Summary: A polycrystalline double perovskite La2CoMnO6 sample was prepared and its structural, dielectric and magnetic properties were investigated. The sample exhibited complex structures and magnetic behavior, and showed good conductivity and dielectric performance. Its multi-domain magnetic structure suggests its suitability for memory device applications.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
Shubha Dubey, Jisha A. Abraham, Kumud Dubey, Vineet Sahu, Anchit Modi, G. Pagare, N. K. Gaur
Summary: This study investigates the optoelectronic, thermodynamic, thermoelectric, and mechanical stability properties of RhTiP Half Heusler semiconductors. The results show that RhTiP is a non-magnetic material with confirmed mechanical stability. It is found to be an indirect-bandgap semiconductor with a good Seebeck coefficient. This study suggests that RhTiP has promising applications in the thermoelectric and optoelectronic fields.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
Xun Xie, Jiong-Ju Hao, Hong-Wei Yang
Summary: This work presents a multilayer film structure that uses optical resonance to prepare highly efficient and saturated red, green, and blue transmittance colors. Numerical simulations and analysis show that the structure can produce R, G, and B colors with a purity comparable to standard RGB colors, while maintaining efficient transmission efficiency and obtaining a rich variety of structural colors. Additionally, a metallic interlayer is introduced to selectively suppress resonances in the short-wavelength region, improving the purity of the red color. The study also investigates the effect of the incidence angle on color purity and transmission efficiency.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
Yueqiang Zhao
Summary: Solubility property is of great interest in chemical, physical, pharmaceutical, material, and environmental sciences. Understanding the intrinsic reason behind solubility behavior is a fascinating task. The theoretical relation between binary mutual solubility and liquid-liquid interfacial tension has been derived, where the partitioning of solute molecules between two coexisting liquid phases is determined by the transfer free energy per unit segment for a chain-like solute molecule expressed in terms of solute-solvent interfacial tension. This general theory of solubility is in good agreement with experimental results for binary mutual solubility and molar transfer free energy of solute molecules.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
Osama K. M. Bashiar, R. E. Kroon, H. C. Swart, R. A. Harris
Summary: ZnO thin films with near-infrared emission were successfully fabricated using pulsed laser deposition under vacuum conditions, without the need for additional gases or implantation methods. The NIR emission was hypothesized to be caused by defects in the ZnO film due to high energy particle impacts on the sample surface.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
O. Stognei, A. Berezutskii, I. Anisimov, A. Deryabin
Summary: The influence of ZrOn matrix stoichiometry on the electrical and magnetoresistive properties of Fe-Zr-O nanocomposites has been studied. It was found that the magnetoresistive effect is not observed in composites with oxygen lack, while composites with oxygen excess show magnetoresistive effect and increased resistivity. Magnetoresistivity in composites with oxygen lack only appears after heat treatment. These results can be explained by the difference in the density of localized states in the oxide matrix of the composites and the ratio between two types of conductivity.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
Mehmet Bayirli, Aykut Ilgaz, Orhan Zeybek
Summary: The present study aims to understand the relationship between impedance characteristics and fractal behaviors. By producing neat and carbon nanotube doped composite specimens, the researchers investigated the electrical properties and surface heteromorphology using Nyquist plots and fractal analysis.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Physics, Condensed Matter
M. I. Khan, Saddam Hussain, Muhamad Saleem, Fatimah Mohammed Alzahrani, Muhammad Siddique, M. S. Hassan, Allah Ditta Khalid, Munawar Iqbal
Summary: The sol-gel method was used to deposit Ti-doped MAPbBr3 films on FTO-glass substrates with different doping ratios (0%, 4%, and 6%). XRD analysis confirmed the cubic structure of all films, and the 4% Ti-doped film exhibited a large grain size, low band gap energy, and high refractive index. Solar cells fabricated using the 4% Ti-doped MAPbBr3 film showed improved performance in terms of current density, open circuit voltage, fill factor, and efficiency.
PHYSICA B-CONDENSED MATTER
(2024)
