4.5 Article

Understanding the origin of semiconducting ferromagnetic character along with the high figure of merit in Cs2NaMCl6 (M = Cr, Fe) double perovskites

Journal

Publisher

ELSEVIER
DOI: 10.1016/j.jmmm.2020.167431

Keywords

Double perovskites; Exchange-correlation potential; Band gap; Thermoelectricity; Figure of merit

Ask authors/readers for more resources

Thermoelectric devices have the potential to generate electric power from waste heat by using semiconducting materials. The investigation of Cs2NaMCl6 (M = Cr, Fe) double perovskites revealed their semiconductor nature in both spin channels, with low thermal conductivity and high efficiency for waste heat recovery.
Thermoelectric devices have tendency to generate electric power by renovating waste heat. Semiconducting materials are the hunt for thermoelectric technology. We have traced the structural and mechanical stabilities, explored the electronic profile and thereafter unearthed the transport character of Cs2NaMCl6 (M = Cr, Fe) double perovskites. The electronic band structures and density of states from GGA and GGA + mBJ convey the semiconducting nature in both spin channels for these materials. The origin of semiconducting nature is explained with the help of crystal field splitting of d-orbitals. The optimization and asymmetric DOS across reference level suggest the ferromagnetic nature of double perovskites. The Boltztrap code with fixed relaxation time is used to determine the transport properties of Cs2NaMCl6 (M = Cr, Fe) double perovskites. The decreasing characteristic of Seebeck coefficient and resistance as a function of temperature suggests semiconductor character in these materials. The low thermal conductivity boosts the efficiency of materials to recover waste heat. The room temperature figure of merit (zT) is 0.71 and 0.79 for Cr and Fe-based double perovskites and with temperature, it increases. Thereby making these double perovskites suitable for waste heat harvesting. The results obtained while carrying out the investigation are in cohesion with available results in literature.

Authors

I am an author on this paper
Click your name to claim this paper and add it to your profile.

Reviews

Primary Rating

4.5
Not enough ratings

Secondary Ratings

Novelty
-
Significance
-
Scientific rigor
-
Rate this paper

Recommended

Review Infectious Diseases

Novel corona virus (COVID-19) pandemic: current status and possible strategies for detection and treatment of the disease

Stuti Bhagat, Nisha Yadav, Juhi Shah, Harsh Dave, Shachee Swaraj, Shashank Tripathi, Sanjay Singh

Summary: This review provides a comprehensive analysis of the recent developments of the COVID-19 pandemic, including the structural characterization of the virus, global disease status, various detection strategies, recommended drugs for treatment, and progress in vaccine development by different countries. Currently, countries are reopening businesses despite an increase in COVID-19 cases. Pharmaceutical industries are actively developing clinical diagnostic kits, medicines, and vaccines. Future research may uncover genetic variations or polymorphisms that determine differences in susceptibility to the disease.

EXPERT REVIEW OF ANTI-INFECTIVE THERAPY (2022)

Review Biochemical Research Methods

From gene to biomolecular networks: a review of evidences for understanding complex biological function in plants

Om Prakash Gupta, Rupesh Deshmukh, Awadhesh Kumar, Sanjay Kumar Singh, Pradeep Sharma, Sewa Ram, Gyanendra Pratap Singh

Summary: Biomolecular network biology is a comprehensive method to understand complex biological functions in plants. Recent advancements in multi-omics data and computational approaches have accelerated our understanding of gene function at the system level.

CURRENT OPINION IN BIOTECHNOLOGY (2022)

Article Immunology

Inhibition of pan-Aurora kinase attenuates evoked and ongoing pain in nerve injured rats via regulating KIF17-NR2B mediated signaling

Ankit Uniyal, Akhilesh, Aaina Singh Rathore, Priyanka Kumari Keshri, Surya Pratap Singh, Sanjay Singh, Vinod Tiwari

Summary: This study suggests that inhibition of pan-Aurora kinase can effectively inhibit evoked and chronic ongoing pain in nerve-injured rats by reducing KIF-17 mediated NR2B activation.

INTERNATIONAL IMMUNOPHARMACOLOGY (2022)

Article Business

Resource integration integration and dynamic capability of frontline employee during COVID-19 pandemic: From value creation and engineering management perspectives

Sheshadri Chatterjee, Ranjan Chaudhuri, Vanessa Izquierdo Gonzalez, Ajay Kumar, Sanjay Kumar Singh

Summary: Frontline employees play a crucial role in the success of any organization. However, during the COVID-19 pandemic, they faced challenges in directly connecting with customers due to lockdown measures. This study examines the relationship between frontline employee adaptability and organization performance, considering factors such as technological capability, emotional intelligence, and psychological capability. The findings indicate that dynamic capabilities and engineering management abilities of frontline employees significantly impact their adaptability, ultimately influencing organization performance through job satisfaction and employee performance.

TECHNOLOGICAL FORECASTING AND SOCIAL CHANGE (2022)

Article Management

Perceived corporate social responsibility and innovative work behaviour: the role of passion at work

Ranya Saeed Alhumoudi, Sanjay Kumar Singh, Syed Zamberi Ahmad

Summary: Perceived corporate social responsibility has a positive impact on passionate attitudes towards work and mediates the relationship between perceived CSR and innovative work behavior. The study suggests mixed-method investigations for future research and emphasizes the importance of engaging in CSR activities for organizations. Passionate Gen Y nurses play a valuable role in improving patient care services through innovative work behavior.

INTERNATIONAL JOURNAL OF ORGANIZATIONAL ANALYSIS (2023)

Article Biochemistry & Molecular Biology

Genetic diversity of farmers' varieties of rice of central India using microsatellite and blast linked markers

Sanjeev Meena, Radheshyam Sharma, Sanjay Kumar Singh, Ashish Kumar, R. Shiv Ramakrishnan, Stuti Sharma, G. K. Koutu, Lokesh Gaur

Summary: This study characterized the genetic diversity of farmers' varieties in central India using SSR markers and blast-linked markers. The results showed clear geographical discrimination among the varieties and the presence of multiple blast resistance genes, which could be utilized in future breeding programs.

JOURNAL OF PLANT BIOCHEMISTRY AND BIOTECHNOLOGY (2023)

Article Computer Science, Information Systems

An efficient self-embedding fragile watermarking scheme for image authentication with two chances for recovery capability

Durgesh Singh, Sanjay K. Singh, Sandeep Sambhaji Udmale

Summary: In this paper, a self-embedding block-wise fragile image watermarking scheme is proposed for authentication, localization, and recovery with enhanced accuracy. The scheme splits the cover image into non-overlapping blocks and calculates restoration and authentication bits from the MSBs planes. The proposed scheme achieves high-quality restoration and significant authentication possibilities for each block, with high Peak Signal to Noise Ratio and Normalized Correlation Coefficient up to 50% tampering rate.

MULTIMEDIA TOOLS AND APPLICATIONS (2023)

Article Business

Corporate social responsibility and innovative work behavior: Is it a matter of perceptions?

Ranya Saeed Alhmoudi, Sanjay Kumar Singh, Francesco Caputo, Teresa Riso, Francesca Iandolo

Summary: This paper investigates the influence of corporate social responsibility (CSR) on Innovative Work Behavior (IWB). It explores the mediating role of passion and organizational commitment in understanding the effect of CSR on companies' performances from a behavioral perspective. By conducting an exploratory literature review and using content analysis, the possible relationships among CSR, human capital, relational capital, and innovative work behaviors are explored. The paper provides propositions for enhancing the potential contribution of perceived CSR to improve companies' performance by adopting IWBs, enriching the ongoing debate about CSR's influence on companies' performances.

CORPORATE SOCIAL RESPONSIBILITY AND ENVIRONMENTAL MANAGEMENT (2022)

Article Materials Science, Multidisciplinary

Understanding the structural, electro-magnetic, mechanical, thermal and transport properties of Strontium based perovskite (SrPrO3)

Sakshi Gautam, Dinesh C. Gupta

Summary: Using density functional theory, the various properties of SrPrO3 perovskite were explored, including the structural, electro-magnetic, mechanical, thermal, and transport properties. The alloy was found to be stable in the ferromagnetic phase. The material exhibited both half-metallic and semiconducting behavior depending on the approximation method used. The elastic parameters indicated its ductile nature. The material's response to temperature and pressure was evaluated using the quasi-harmonic Debye model. The thermoelectric potential of the material was measured in terms of various parameters. Overall, these findings suggest possible applications of SrPrO3 in solid state devices and thermoelectric systems.

MATERIALS RESEARCH EXPRESS (2023)

Article Chemistry, Multidisciplinary

Tantalum half-Heusler alloys RbTaSi and RbTaGe: potential candidates for desirable thermoelectric and spintronic applications

Nisar Ahmad Ganie, Shabir A. Mir, Dinesh C. Gupta

Summary: A thorough theoretical analysis using density functional theory (DFT) has been performed to investigate the general physical features of RbTaSi and RbTaGe alloys. It is found that these alloys have stable ferromagnetic phase and exhibit half-metallic nature, making them suitable for spintronic applications.

RSC ADVANCES (2023)

Article Chemistry, Multidisciplinary

Tailoring the intrinsic magneto-electronic, mechanical, thermo-physical and thermoelectric response of cobalt-based Heusler alloys: an ab initio insight

Bharti Gurunani, Dinesh C. Gupta

Summary: A comprehensive analysis using density functional theory simulations revealed that CoHfSi and CoHfGe half-Heusler alloys exhibit half-metallic properties and show ferromagnetic behavior, making them promising candidates for spintronic applications. Additionally, the study of their thermoelectric properties provides a better understanding of their performance in thermoelectric applications.

RSC ADVANCES (2023)

Article Chemistry, Multidisciplinary

Theoretical exploration of inherent electronic, structural, mechanical, thermoelectric, and thermophysical response of KRu4Z12 (Z=As12, Sb12) filled skutterudite materials

Poorva Nayak, Pankakaj Srivastava, Dinesh C. Gupta

Summary: Using density functional theory, this study explores the properties of KRu4As12 and KRu4Sb12 skutterudites, including their structural, electronic, mechanical, transport, and thermodynamic aspects. The materials are found to be metallic and exhibit ferromagnetic spin configuration. They also possess ductile behavior and potential as electrode materials. The study considers the stability under high pressures and the temperature dependence of thermodynamics using the quasi-harmonic Debye approximation.

RSC ADVANCES (2023)

Article Green & Sustainable Science & Technology

Dynamic Behaviour of Pond Ash Mixed with Coir and Crumb Rubber

Ashish Malik, Sanjay Kumar Singh

Summary: An experimental program was conducted to determine the dynamic properties of pond ash and the effects of additives such as crumb rubber and coir fiber. The results showed that crumb rubber improved the liquefaction resistance of pond ash, while coir fiber had no significant effect on it. The dynamic shear modulus of pond ash decreased when mixed with crumb rubber, but increased significantly when mixed with coir fiber.

JOURNAL OF RENEWABLE MATERIALS (2023)

Article Management

What makes mindful self-initiated expatriates bounce back, improvise and perform: Empirical evidence from the emerging Markets

Sanjay Kumar Singh, Demetris Vrontis, Michael Christofi

Summary: This study, based on the self-determination theory, examines how individual employees leverage improvisational capability to enhance task performance. The findings show that mindfulness influences resilience and improvisation in the workplace, with improvisation mediating the impact of resilience on task performance. The study provides insights for advancing theory and practice in this field.

EUROPEAN MANAGEMENT REVIEW (2022)

Article Statistics & Probability

Bayesian inference: Weibull Poisson model for censored data using the expectation-maximization algorithm and its application to bladder cancer data

Anurag Pathak, Manoj Kumar, Sanjay Kumar Singh, Umesh Singh

Summary: This article focuses on the parameter estimation of experimental items from Weibull Poisson Model under progressive type-II censoring with binomial removals. The maximum likelihood estimators and Bayes estimators have been obtained under symmetric and asymmetric loss functions. The performance of competitive estimators has been evaluated through simulated risks. One sample Bayes prediction and expected experiment time have also been studied. Furthermore, the suitability of the considered model and proposed methodology has been illustrated using real bladder cancer data set.

JOURNAL OF APPLIED STATISTICS (2022)

Article Materials Science, Multidisciplinary

Remote detection of bovine serum albumin (BSA) using cantilever beam magnetometer

Bibhutibhusan Nayak, S. Narayana Jammalamadaka

Summary: This article presents a method for remote detection of bovine serum albumin (BSA) using modified cantilever beam magnetometry (CBM). By combining a magnetostrictive Fe70Ga30 cantilever with optical detection technique, researchers were able to detect high concentrations of BSA remotely. The results of this study demonstrate the potential of this method in estimating the magnetostriction of thin films.

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS (2024)

Article Materials Science, Multidisciplinary

Influence of magnetic external field and particle size on the formation of a single domain state

Yu Hao, R. E. Camley, Z. Celinski

Summary: Magnetic particles have various applications and their magnetic state is determined by their size and the strength of an applied magnetic field. Numerical simulations were performed to study the effect of an applied field on the critical size of single-domain magnetic particles, and the critical field at which a particle becomes single-domain was determined.

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS (2024)

Article Materials Science, Multidisciplinary

Smart nanocomposite SrFe12O19/α or γ - Fe2O3 thin films with adaptive magnetic properties

Nitesh Singh, Naresh Kumar, Dharohar Sahadot, Anil Annadi, Vidyadhar Singh, Murtaza Bohra

Summary: The unique magnetic properties of FM/AFM and hard-FM/soft-FM nanocomposite thin films have significant relevance for numerous applications. The composition and performance of different magnetic phases in the nanocomposite films can be significantly affected by the laser ablation conditions and annealing temperature.

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS (2024)

Article Materials Science, Multidisciplinary

A symmetric T-H shape wideband negative index metamaterial for 28-GHz millimeter-wave applications

Alya Ali Musaed, Samir Salem Al-Bawri, Khaled Aljaloud, Wazie M. Abdulkawi, Mohammad Tariqul Islam, Mandeep Jit Singh, Zaini Sakawi, Husam Hamid Ibrahim

Summary: This research presents a wideband tunable metamaterial for body-centric applications in the millimeter-wave frequency band. The proposed metamaterial has a wide operating frequency range and enhanced gain, making it suitable for improving the antenna performance in 5G wireless communication systems.

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS (2024)

Article Materials Science, Multidisciplinary

Structure and properties of NdCuGa3 single crystals

Binod K. Rai, Boris Maiorov, Krzysztof Gofryk, Patrick O'Rourke, Catherine Housley, Henry Ajo, Asraf Sawon, Arjun K. Pathak, Narayan Poudel, Qiang Zhang, Travis J. Williams, Matthias Frontzek

Summary: This manuscript reports on the structural and magnetic properties of NdCuGa3. The study confirmed the crystal structure and magnetic phase transition of NdCuGa3 using XRD, neutron diffraction, magnetization, and specific heat measurements. The neutron diffraction data further confirmed the antiferromagnetic phase of NdCuGa3.

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS (2024)

Article Materials Science, Multidisciplinary

A multiferroic coupling mechanism in the polar interface region of GaN-ZnO heterojunction: A first-principle study

Haonan Li, Cong Li, Hailiang Huang, Guodong Hao, Fei Wang

Summary: The electronic structure and ferroelectric-ferromagnetic coupling properties of Y-doped and vacancy-containing GaN-ZnO heterojunctions are systematically investigated. The magnetism in vacancy-containing systems is generated by the spin polarization of unpaired electrons induced by cationic vacancies, while in Y-doped systems, bound magnetic polarons are formed by the orbital hybridization of s-state and d-state electrons of Y-doped elements.

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS (2024)

Article Materials Science, Multidisciplinary

Co-precipitation method followed by ultrafast sonochemical synthesis of aluminium doped M type BaFe11.4-xAlxCo0.6O19 hexaferrites for various applications

Muhammad Ijaz, Hafeez Ullah, Bandar Ali Al-Asbahi, Mati Ullah Khan, Zaheer Abbas, Sana Ullah Asif

Summary: M-type BaFe11.4-xAlxCo0.6O19 hexaferrites with Al3+ substitutions were synthesized using the co-precipitation method followed by Sonochemical process. The synthesized materials were characterized using XRD, FTIR, UV-vis spectroscopy, VSM, SEM, and LCR meter. The results showed that aluminum doping decreased the band gap and enhanced the magnetic and dielectric properties of the hexaferrites, making them suitable for various applications.

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS (2024)

Article Materials Science, Multidisciplinary

Magnons in the fan phase of anisotropic frustrated antiferromagnets

Oleg I. Utesov

Summary: The elementary excitations spectrum of anisotropic frustrated antiferromagnets in the fan phase is discussed. It is found that the low-energy part of the spectrum consists of a gapless phason branch with linear dispersion and a gapped optical branch corresponding to the fan structure amplitude oscillations. In the high-energy part of the spectrum, the excitations are similar to the magnons of the fully polarized phase.

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS (2024)

Article Materials Science, Multidisciplinary

Vapor bubbles departure frequency at ferrofluid boiling on a single nucleation site in a uniform horizontal magnetic field

Alexander Ya. Simonovskii, Alexander A. Yanovskii, Arthur R. Zakinyan

Summary: In this study, the departure frequency of vapor bubbles during boiling of ferrofluid in a horizontal magnetic field is experimentally investigated. Two methods, visual and inductive, are used to measure the frequency of bubble departure. The results show that the bubble departure frequency can decrease with increasing magnetic field strength and increase with increasing temperature of the heat-emitting surface. A linear stability analysis is conducted to analyze the influence of the magnetic field on the frequency of bubble formation during ferrofluid boiling.

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS (2024)

Article Materials Science, Multidisciplinary

Magnetic and transformation properties of Ni2MnGa combinatorically substituted with 5 at.% of transition elements from Cr to Cu - Experimental insight

Oleg Heczko, Michal Rames, Vit Kopecky, Petr Vertat, Michal Varga, Ladislav Straka

Summary: Heusler Ni-Mn-Ga alloys are multiferroic materials that exhibit magnetic shape memory (MSM) phenomena. By doping transition elements into Ni2MnGa alloys, the transformation temperatures can be modified and complex behaviors can be observed, such as the variation in saturation magnetization and the effects of elemental substitution on compound properties.

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS (2024)

Article Materials Science, Multidisciplinary

DFT calculations for electronic and magnetic properties of full Heusler Fe2MnAs alloy in perfect and defect structures

Carlos Ariel Samudio Perez, Ariel Flaig de Marchi

Summary: This study investigates the electronic and magnetic properties of the Full-Heusler Fe2MnAs alloy using first-principles calculations. The alloy may form spontaneously and exhibits a ferromagnetic order and high spin-polarization. It can be transformed into a half-metal by contracting the lattice constant. Additionally, certain defects contribute to the spin-polarization of the alloy, making it a fully half-metallic material.

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS (2024)

Article Materials Science, Multidisciplinary

Enhancing electromagnetic properties through carbon Nanotube-Based polymer composites

Satish Geeri, Aditya Kolakoti, Prasadarao Bobbili

Summary: In this study, an electromagnetic wave-absorbing material was fabricated using a polymer composite material with fiber orientation and Multiwall Carbon Nanotubes as filler materials, along with a Perfect Electric Conducting material. The experiments demonstrated strong electromagnetic absorbing properties for the composites with PEC-coated and non-PEC-coated materials. Mechanical, thermal, and morphological analysis confirmed the similar trend in properties. CRITIC analysis helped identify the sequence order of sustaining properties for the fabricated composites.

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS (2024)

Article Materials Science, Multidisciplinary

First-principles prediction of intrinsic piezoelectricity, spin-valley splitting and magneto-crystal anisotropy in 2H-VS2 magnetic semiconductor

Yankai Chen, Ruoxue Zhang, Yukai An

Summary: The piezoelectricity, valley character, and magnetic properties of 2H-VS2 monolayer were studied, revealing its potential applications in spintronics and valleytronics due to its bipolar magnetic semiconductor characteristics and superior physical properties.

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS (2024)

Article Materials Science, Multidisciplinary

Thermodynamic, entanglement and spin Hall conductivity on kagome-honeycomb lattice system

Leonardo S. Lima

Summary: This study investigates the thermodynamic quantities, such as entropy, specific heat, and magnetic susceptibility, in the next-nearest-neighbors Heisenberg model on a honeycomb-kagome lattice. The linear spin-wave approach is applied to obtain the temperature-dependent behavior of these quantities. Additionally, the entanglement negativity, a quantifier of quantum entanglement, and the spin Hall conductivity are also studied. The results show that all the thermodynamic quantities, as well as the entanglement negativity and spin Hall conductivity, exhibit an increasing trend with temperature. Furthermore, it is found that all the analyzed quantities approach zero in the low-temperature limit, consistent with experimental observations.

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS (2024)

Article Materials Science, Multidisciplinary

Large conventional and inverse magnetocaloric effects in RE2Ga2Mg (RE = Tm, Er, Ho) compounds

Zhaoxing Wang, Maximilian Kai Reimann, Wang Chen, Yikun Zhang, Rainer Poettgen

Summary: The Mo2FeB2-type compounds RE2Ga2Mg (RE = Tm, Er, Ho) exhibit a large magnetocaloric effect, making them promising for cryogenic magnetic cooling applications.

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS (2024)