Electronic structure and magnetic properties of Co2TaAl from ab initio calculations

Electronic structure and magnetic properties of Co2TaAl from ab initio calculations

p. 286-289

Saved in:

Bibliographic Details
Main Author:	Saadi Berri
Format:	Article
Language:	English
Published:	ĐHQGHN 2017
Subjects:	Heusler compound Ab initio calculations Spintronic Half-metallic Electronic structure
Online Access:	http://repository.vnu.edu.vn/handle/VNU_123/58123
Tags:	Add Tag No Tags, Be the first to tag this record!
Institution:	Vietnam National University, Hanoi
Language:	English

Similar Items

Prediction of defects in PZT thin film using ab-initio method
by: Zhang, Z., et al.
Published: (2014)

Construction of an ab initio kinetic model for industrial ethane pyrolysis
by: Sun, W., et al.
Published: (2014)

Ab initio studies of borazine and benzene cyclacenes
by: Yang, S.W., et al.
Published: (2014)

The thermal decomposition of thiirane: A mechanistic study by Ab initio MO theory
by: Steudel, Y., et al.
Published: (2014)

Electrophilic attack on sulfur-sulfur bonds: Coordination of lithium cations to sulfur-rich molecules studied by ab initio MO methods
by: Steudel, Y., et al.
Published: (2014)

Ab initio studies of hydrogen and oxygen chemisorptions on the cubic BN(1 1 1) surface
by: Yang, S.W., et al.
Published: (2014)

Ab initio group contribution method for activation energies of hydrogen abstraction reactions
by: Saeys, M., et al.
Published: (2014)

Signatures of a time-reversal symmetric Weyl semimetal with only four Weyl points
by: Belopolski, Ilya, et al.
Published: (2018)

Ab initio study of fundamental properties of XAlO3 (X = Cs, Rb and K) compounds
by: Berri, Saadi
Published: (2018)

Ab initio calculations of mechanical and thermodynamic properties for the B2-based AlRE
by: Tao, X., et al.
Published: (2014)

1,2,4,3-Triazaborole-based neutral oxoborane stabilized by a Lewis acid
by: Loh, Ying Kai, et al.
Published: (2016)

The effects of chemical bonding on the topological property of half- Heusler compounds : first principle calculation
by: Li, C., et al.
Published: (2019)

Ab initio calculation of the total energy and elastic properties of Laves phase C15 Al2RE (RE = Sc, Y, La, Ce-Lu)
by: Tao, X., et al.
Published: (2014)

Preparation and chemistry of an unexpectedly stable α-oxoketene-pyridine zwitterion, 2,2-bis(tert-butylcarbonyl)-1-[4-(dimethylamino)pyridinio]ethen-1-olate
by: Kollenz, G., et al.
Published: (2014)

Ab Initio Group Contribution Method for Activation Energies for Radical Additions
by: Saeys, M., et al.
Published: (2014)

Coordination of Li +, Ca +, V +, and Cu + to the molecules S 8 and S 4 -A computational study
by: Steudel, Y., et al.
Published: (2014)

Structural and magnetic properties of Fe2CrSi Heusler Alloy and Tunneling magnetoresistance of its magnetic tunneling junctions
by: Wang, Y.-P., et al.
Published: (2014)

Spinel compounds as multivalent battery cathodes: A systematic evaluation based on ab initio calculations
by: Liu, M, et al.
Published: (2020)

Complexation of the vulcanization accelerator tetramethylthiuram disulfide and related molecules with zinc compounds including zinc oxide clusters (Zn 4O4)
by: Steudel, R., et al.
Published: (2014)

Enhancing thermoelectric performance through acid-treated NbFeSb: a versatile approach for sustainable energy conversion
by: Kim, Minsu, et al.
Published: (2024)

Ethenedithione (S=C=C=S): Does it obey Hund's rule?
by: Ma, N.L., et al.
Published: (2014)

Ab initio simulations of low-k and ultra low-k dielectric interconnects
by: Tan, V.B.C., et al.
Published: (2014)

Large scale ab initio modeling of structurally uncharacterized antimicrobial peptides reveals known and novel folds
by: Kozic, Mara, et al.
Published: (2020)

An ab initio MO study of the gas-phase reactions 2 SF2 → FS-SF3 → S=SF4 - Molecular structures, reaction enthalpies and activation energies
by: Steudel, Y., et al.
Published: (2014)

Enhanced interfacial lithium storage in nanocomposites of transition metals with LiF and Li2O: Comparison of DFT calculations and experimental studies
by: Zhukovskii, Yu.F., et al.
Published: (2014)

Structural and magnetoresistive properties of half metallic Co2Mn1-xSi thin films
by: Li, K.B., et al.
Published: (2014)

Electronic calculation of Mn3AlN with anti-perovskite structure
by: Ouyang, Y., et al.
Published: (2014)

Electronic structure of graphene– and BN–supported phosphorene
by: Kistanov, Andrey A., et al.
Published: (2019)

Magnetization Blocking in (Fe2Dy2III)-Dy-III Molecular Magnets: Ab Initio Calculations and EPR Spectroscopy
by: Vieru, Veacheslav, et al.
Published: (2022)

Understanding nitrogen-induced effects on the performance of ultra low-k dielectric systems through ab initio simulations
by: Dai, L., et al.
Published: (2014)

Ab Initio Kinetic Modeling of Gas Phase Radical Reactions
by: SUN WENJIE
Published: (2011)

Composition dependent properties of GaAs clusters
by: Kwong, H.H., et al.
Published: (2014)

Mechanistic investigation on the formation and dehydrogenation of calcium amidoborane ammoniate
by: Chua, Y.S., et al.
Published: (2014)

Understanding the activity of carbon-based single-atom electrocatalysts from ab initio simulations
by: Zhong, Lixiang, et al.
Published: (2023)

First-principles study of structural, electronic and optical properties of Zn1-xMgxO ternary alloys using modified Becke-Johnson potential
by: Rashid, M., et al.
Published: (2014)

Homolytic SS bond dissociation of 11 bis(thiocarbonyl)disulfides R-C(=S)-S-S-C(=S)R and prediction of A novel rubber vulcanization accelerator
by: Mak, A.M., et al.
Published: (2014)

Structures and vibrational spectra of the sulfur-rich oxides SnO (n = 4-9): The importance of π*-π* interactions
by: Wong, M.W., et al.
Published: (2014)

Signatures of a time-reversal symmetric Weyl semimetal with only four Weyl points
by: Belopolski, I, et al.
Published: (2020)

Dark-red O8 molecules in solid oxygen: Rhomboid clusters, not S8-like rings
by: Steudel, R., et al.
Published: (2014)

Electronic structure of bulk and (0 0 1) surface layers of pyrite FeS 2
by: Cai, J., et al.
Published: (2014)