In this paper, we present the magnetic properties of the inverse Heusler Mn2NiSn alloy computed by ab initio density functional theory (DFT) calculations in order to understand the large magnetic moments observed in experiments in contrast to smaller values obtained in previous ab initio calculations. Our results show that the magnetization in this system is quite sensitive to volume and atomic ordering in the sublattices. The observed variations in the magnetizations are explained from the features in the electronic structures of the Mn d-bands. We conclude that the symmetry of lattice sites and the alloying with Ni atoms are responsible for a high magnetic moment for a range of volumes. This opens a possible route to realize a large magnetization, a requirement for shape memory properties in magnetic alloys, in similar systems with an inverse Heusler structure.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1088/0953-8984/25/23/236005 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Identification and structural characterization of glucosylceramides in Holothuria (Halodeima) grisea: Insights from TLC and NMR techniques.
Carbohydr Res
January 2025
Departamento de Bioquímica e Biologia Molecular, Universidade Federal do Paraná, 81531-990, Curitiba, PR, Brazil. Electronic address:
Sea cucumbers are widely used in oriental cuisine due to their medicinal properties. Antioxidant, antifungal, antiviral, anticancer and neuroprotective activities have already been identified in several species and in different tissues. Among the class of compounds with biological activity are cerebrosides, which have important functions for the proper functioning of cells, especially neuronal cells.
View Article and Find Full Text PDFMeasurement of biomechanical properties of transversely isotropic biological tissue using traveling wave expansion.
Med Image Anal
January 2025
School of Biomedical Engineering, Shanghai Jiao Tong University, Shanghai 200030, China; Institute of Medical Robotics, Shanghai Jiao Tong University, Shanghai 200040, China; National Engineering Research Center of Advanced Magnetic Resonance Technologies for Diagnosis and Therapy (NERC-AMRT), Shanghai Jiao Tong University, Shanghai 200040, China; Department of Radiology, Ruijin Hospital affiliated to Shanghai Jiao Tong University School of Medicine, Shanghai 200025, China. Electronic address:
The anisotropic mechanical properties of fiber-embedded biological tissues are essential for understanding their development, aging, disease progression, and response to therapy. However, accurate and fast assessment of mechanical anisotropy in vivo using elastography remains challenging. To address the dilemma of achieving both accuracy and efficiency in this inverse problem involving complex wave equations, we propose a computational framework that utilizes the traveling wave expansion model.
View Article and Find Full Text PDFAge-Trajectories of Higher-Order Diffusion Properties of Major Brain Metabolites in Cerebral and Cerebellar Gray Matter Using In Vivo Diffusion-Weighted MR Spectroscopy at 3T.
Aging Cell
January 2025
Cardiff University Brain Research Imaging Centre (CUBRIC), School of Psychology, Cardiff University, Cardiff, UK.
Healthy brain aging involves changes in both brain structure and function, including alterations in cellular composition and microstructure across brain regions. Unlike diffusion-weighted MRI (dMRI), diffusion-weighted MR spectroscopy (dMRS) can assess cell-type specific microstructural changes, providing indirect information on both cell composition and microstructure through the quantification and interpretation of metabolites' diffusion properties. This work investigates age-related changes in the higher-order diffusion properties of total N-Acetyl-aspartate (neuronal biomarker), total choline (glial biomarker), and total creatine (both neuronal and glial biomarker) beyond the classical apparent diffusion coefficient in cerebral and cerebellar gray matter of healthy human brain.
View Article and Find Full Text PDFCarotid Endarterectomy Ameliorates Cognitive Impairment in Clinical and Experimental Unilateral Carotid Artery Stenosis.
J Am Heart Assoc
January 2025
Department of Neurosurgery, Center of Pituitary Tumor, Ruijin Hospital Shanghai Jiao Tong University School of Medicine Shanghai China.
Background: Carotid endarterectomy (CEA) is widely used to treat carotid artery stenosis (CAS). However, the effects of CEA on unilateral CAS-induced cognitive impairment and the underlying mechanism remain poorly understood.
Methods And Results: Thirteen patients diagnosed with unilateral severe CAS underwent pre- and post-CEA assessments, including fluoro-2-deoxy-d-glucose positron emission tomography/magnetic resonance imaging, cognitive assessments, and routine blood tests before and after CEA.
Ordered Interfacial Water Generated at Poly(ionic liquid) Membrane Surface Imparts Ultrafast Water Transport and Superoleophobicity.
J Am Chem Soc
January 2025
School of Rare Earths, University of Science and Technology of China, Hefei 230026, China.
Achieving ultrahigh permeance and superoleophobicity is crucial for membrane application. Here, we demonstrated that a poly(ionic liquid)/PES hydrogel membrane can achieve dual goals. The high polarity of the ionic liquids induces the water molecules on the membrane surface to be arranged more ordered, as verified by molecular dynamics (MD) simulation and advanced femtosecond sum frequency generation (SFG) vibrational spectroscopy.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!