An ab initio study of the static, dynamic and electronic properties of some liquid 5d transition metals near melting

An ab initio study of the static, dynamic and electronic properties of some liquid 5d transition metals near melting

We report a study on the static and dynamic properties of several liquid 5d transition metals at thermodynamic conditions near their respective melting points. This is performed by resorting to ab initio molecular dynamics simulations in the framework of the density functional theory. Results are pr...

पूर्ण विवरण

ग्रंथसूची विवरण
मुख्य लेखकों:	D. J. González, L. E. González
स्वरूप:	लेख
भाषा:	English
प्रकाशित:	Institute for Condensed Matter Physics 2023-07-01
श्रृंखला:	Condensed Matter Physics
विषय:	liquid metals transition metals first principles calculations
ऑनलाइन पहुंच:	https://doi.org/10.5488/CMP.26.33601

समान संसाधन

First principles determination of some static and dynamic properties of the liquid 3d transition metals near melting
द्वारा: B.G. del Rio, और अन्य
प्रकाशित: (2020-05-01)

Tunable Electronic and Magnetic Properties of 3<i>d</i> Transition Metal Atom-Intercalated Transition Metal Dichalcogenides: A Density Functional Theory Study
द्वारा: Yujie Liu, और अन्य
प्रकाशित: (2024-08-01)

Spin Polarization Properties of Two Dimensional GaP<sub>3</sub> Induced by 3d Transition-Metal Doping
द्वारा: Huihui Wei, और अन्य
प्रकाशित: (2021-06-01)

First-Principles Electronic-Structure Study of Graphene Decorated with 4<i>d</i>-Transition Atoms
द्वारा: Ran Hu, और अन्य
प्रकाशित: (2020-12-01)

First-principles-aided thermodynamic modeling of transition-metal heterogeneous catalysts: A review
द्वारा: Haoxiang Xu, और अन्य
प्रकाशित: (2020-07-01)

Hydrogen trapping in vanadium carbide alloyed with transition metals
द्वारा: Shuai Tang, और अन्य
प्रकाशित: (2023-09-01)

Multiple Glass Transitions in Bismuth and Tin beyond Melting Temperatures
द्वारा: Robert F. Tournier
प्रकाशित: (2022-12-01)

First-Principles Study on Hydrogen Storage Performance of Transition Metal-Doped Zeolite Template Carbon
द्वारा: Bai Han, और अन्य
प्रकाशित: (2019-07-01)

Orbital free ab initio molecular dynamics simulation study of some static and dynamic properties of liquid noble metals
द्वारा: G.M. Bhuiyan, और अन्य
प्रकाशित: (2012-10-01)

Intermediate Band Studies of Substitutional V<sup>2+</sup>, Cr<sup>2+</sup>, and Mn<sup>2+</sup> Defects in ZnTe Alloys
द्वारा: Jen-Chuan Tung, और अन्य
प्रकाशित: (2020-12-01)

THE ELECTROCONDUCTIVITY OF THE LIQUID ALLOYS OF TRANSITION METALS
द्वारा: V.T.Shvets, और अन्य
प्रकाशित: (2004-01-01)

Elastic Properties of CaSiO3 Perovskite from ab initio Molecular Dynamics
द्वारा: Shigeaki Ono
प्रकाशित: (2013-10-01)

Theoretical investigations of two-dimensional intrinsic magnets derived from transition-metal borides M3B4 (M = Cr, Mn, and Fe)
द्वारा: Chunmei Ma, और अन्य
प्रकाशित: (2024-12-01)

First-Principles Investigation of Size Effects on Cohesive Energies of Transition-Metal Nanoclusters
द्वारा: Amogh Vig, और अन्य
प्रकाशित: (2023-08-01)

Preparation and study of some Transition Metal Complexes with Liquid Crystal Properties
द्वारा: Omar Hamad Shehab
प्रकाशित: (2012-06-01)

Environment-dependent edge reconstruction of transition metal dichalcogenides: a global search
द्वारा: D. Li, और अन्य
प्रकाशित: (2020-12-01)

First-Principles Study of Magnetic Properties of 3<it>d</it>Transition Metals Doped in ZnO Nanowires
द्वारा: Duan Yifeng, और अन्य
प्रकाशित: (2009-01-01)

Phase Transition Liquid Metal Enabled Emerging Biomedical Technologies and Applications
द्वारा: Shang Gao, और अन्य
प्रकाशित: (2024-10-01)

Effects of Zn and Mg Segregations on the Grain Boundary Sliding and Cohesion in Al: Ab Initio Modeling
द्वारा: Andrey Kuznetsov, और अन्य
प्रकाशित: (2021-04-01)

ab Initio DFT and MD Simulations Serving as an Anchor for Correcting Melting Curves Reported by DAC and SW Experiments—Some Transition Metals as Illustrative Examples
द्वारा: Joseph Gal
प्रकाशित: (2023-08-01)

Spin Properties and Metal-Semiconductor Transition of Nitrogen-Containing Zigzag Graphyne Nanoribbon Caused by Magnetic Atom Doping
द्वारा: Zi-Cong Min, और अन्य
प्रकाशित: (2022-03-01)

Theoretical study of Ti and Cr as candidate assisted metals for mechanical exfoliation of monolayer transition metal dichalcogenides
द्वारा: Guoliang Liu
प्रकाशित: (2025-01-01)

Photovoltaic properties of metal-free semiconductor DMEDA·I6: A first-principles investigation
द्वारा: Fuxiang Liu, और अन्य
प्रकाशित: (2021-01-01)

Recent Development of Liquid Metal‐Based Functional Materials Combined with Common Transition Metals
द्वारा: Yang Wang, और अन्य
प्रकाशित: (2021-12-01)

Electronic Structures of Graphene/MoS<sub>2</sub> Heterostructure: Effects of Stacking Orientation, Element Substitution, and Interlayer Distance
द्वारा: Dian Putri Hastuti, और अन्य
प्रकाशित: (2022-12-01)

Manipulation of valley splitting for the WSe2/NiCl2 heterostructure by adjusting the interlayer spacing and constructing a NiCl2/WSe2/NiCl2 heterojunction
द्वारा: Sukai Teng, और अन्य
प्रकाशित: (2020-01-01)

Embrittlement by liquid metals /
द्वारा: 385555 Kamdar, M. H.
प्रकाशित: (1973)

Monolayer MX2 (M = Cr, Mn; X = Se, Te) with a square lattice: A ferromagnetic half-metal with high Curie temperature
द्वारा: Zhicui Wang, और अन्य
प्रकाशित: (2023-08-01)

<em>Ab-Initio</em> Study of the Electronic and Magnetic Properties of Boron- and Nitrogen-Doped Penta-Graphene
द्वारा: Chao Zhang, और अन्य
प्रकाशित: (2020-04-01)

Two-Dimensional Transition Metal Boride TMB<sub>12</sub> (TM = V, Cr, Mn, and Fe) Monolayers: Robust Antiferromagnetic Semiconductors with Large Magnetic Anisotropy
द्वारा: Huiqin Zhang, और अन्य
प्रकाशित: (2023-12-01)

Ab initio study of adsorption and diffusion of lithium on transition metal dichalcogenide monolayers
द्वारा: Xiaoli Sun, और अन्य
प्रकाशित: (2017-12-01)

Electronic structure transition of cubic CsSnCl3 under pressure: effect of rPBE and PBEsol functionals and GW method
द्वारा: Md. Majibul Haque Babu, और अन्य
प्रकाशित: (2021-08-01)

First-principles investigation of half-metallic ferromagnetism of Fe2YSn (Y = Mn, Ti and V) Heusler alloys
द्वारा: M. Sayah, और अन्य
प्रकाशित: (2021-06-01)

Pseudo-proper two-dimensional electron gas formation
द्वारा: Daniel Bennett, और अन्य
प्रकाशित: (2024-01-01)

Theoretical Investigations on the Mechanical, Magneto-Electronic Properties and Half-Metallic Characteristics of ZrRhTiZ (Z = Al, Ga) Quaternary Heusler Compounds
द्वारा: Wenbin Liu, और अन्य
प्रकाशित: (2019-03-01)

Orbital free ab initio study of static and dynamic properties of some liquid transition metals
द्वारा: Bhuiyan G. M., और अन्य
प्रकाशित: (2017-01-01)

Electronic, Magnetic, and Optical Properties of Metal Adsorbed g-ZnO Systems
द्वारा: Yang Shen, और अन्य
प्रकाशित: (2022-06-01)

Electronic Band Structure of Transition Metal Dichalcogenides from Ab Initio and Slater–Koster Tight-Binding Model
द्वारा: Jose Ángel Silva-Guillén, और अन्य
प्रकाशित: (2016-10-01)

The First-Row Transition Metals in the Periodic Table of Medicine
द्वारा: Cameron Van Cleave, और अन्य
प्रकाशित: (2019-09-01)

Liquid-metal flows near a magnetic neutral point /
द्वारा: 267632 Kenny, R. G.