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Ab Initio Research on a New Type of Half-Metallic Double Perovskites, A2CrMO6 (A = IVA Group Elements; M = Mo, Re and W)

https://doi.org/10.3390/computation2010012

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/pssb.200541381openalex-snapshot

Electronic structures of double perovskites Ba2MnMO6 (M = W and Re) from first‐principles studies

inferredcites →https://doi.org/10.1007/978-3-642-57834-2_9openalex-snapshot

First-Principles Calculations of the Electronic Structure and Spectra of Strongly Correlated Systems: LDA + U Method

inferredcites →https://doi.org/10.1007/s10947-008-0139-8openalex-snapshot

Electronic structure and magnetic properties of double perovskites Sr2FeMO6 (M = Sc, Ti, ..., Ni, Cu) according to the data of FLAPW-GGA band structure calculations

inferredcites →https://doi.org/10.1016/j.cplett.2009.10.024openalex-snapshot

Half metallic properties of Sr2CuOsO6

inferredcites →https://doi.org/10.1016/j.cplett.2010.11.052openalex-snapshot

First principles investigations on the half metallic properties of Sr2MOsO6 (M = V, Mn, Fe, Co)

inferredcites →https://doi.org/10.1016/j.jallcom.2010.07.029openalex-snapshot

The electronic and magnetic properties of Sr2MnNbO6, Sr2FeMoO6 and Sr2NiRuO6 double perovskites: An LSDA+U+SOC study

inferredcites →https://doi.org/10.1016/j.jmmm.2008.02.019openalex-snapshot

Structural and magnetic properties of double-perovskite Ba2MnMoO6 by density functional theory

inferredcites →https://doi.org/10.1016/j.physb.2007.04.078openalex-snapshot

Half-metallic behavior and electronic structure of Sr2CrMoO6 magnetic system

inferredcites →https://doi.org/10.1016/j.ssc.2004.10.033openalex-snapshot

Effects of B′-site transition metal on the properties of double perovskites Sr2FeMO6 (M=Mo, W): B′ 4d–5d system

inferredcites →https://doi.org/10.1016/j.ssc.2004.11.006openalex-snapshot

Electronic and magnetic structure studies of double perovskite Sr2CrReO6 by first-principles calculations

inferredcites →https://doi.org/10.1016/s0022-3697(02)00161-0openalex-snapshot

Successful and unsuccessful stories of first-principles calculations for transition-metal oxides

inferredcites →https://doi.org/10.1016/s0022-3697(02)00419-5openalex-snapshot

High pressure phase transition and elastic properties of cerium chalcogenides and pnictides

inferredcites →https://doi.org/10.1016/s0038-1098(99)00079-4openalex-snapshot

Magnetic and magnetotransport properties of the ordered perovskite Sr2FeMoO6

inferredcites →https://doi.org/10.1016/s0304-8853(03)00498-0openalex-snapshot

On the competition between ferromagnetic and antiferromagnetic states in Sr2MnMoO6

inferredcites →https://doi.org/10.1016/s0921-5107(97)80002-5openalex-snapshot

Cooperative interaction of oxygen octahedra for dielectric properties in the perovskite-related layered compounds Srn+1TinO3n+1,Can+1TinO3n+1 and Srn+1(Ti0.5Sn0.5)nO3n+1 (n = 1, 2, 3 and ∞)

inferredcites →https://doi.org/10.1021/ja01466a021openalex-snapshot

Compounds of Heptavalent Rhenium with the Perovskite Structure

inferredcites →https://doi.org/10.1021/ja01474a007openalex-snapshot

Magnetic Compounds of Hexavalent Rhenium with the Perovskite-type Structure

inferredcites →https://doi.org/10.1021/jp303632zopenalex-snapshot

First-Principles Study of Half-Metallic Materials in Double-Perovskite A2FeMO6 (M = Mo, Re, and W) with IVA Group Elements Set on the A-Site Position

inferredcites →https://doi.org/10.1038/27167openalex-snapshot

Room-temperature magnetoresistance in an oxide material with an ordered double-perovskite structure

inferredcites →https://doi.org/10.1063/1.3455323openalex-snapshot

Local electronic and magnetic studies of an artificial La2FeCrO6 double perovskite

inferredcites →https://doi.org/10.1088/0953-8984/9/4/002openalex-snapshot

First-principles calculations of the electronic structure and spectra of strongly correlated systems: the LDA + U method

inferredcites →https://doi.org/10.1103/physrev.136.b864openalex-snapshot

Inhomogeneous Electron Gas

inferredcites →https://doi.org/10.1103/physrev.140.a1133openalex-snapshot

Self-Consistent Equations Including Exchange and Correlation Effects

inferredcites →https://doi.org/10.1103/physrevb.44.943openalex-snapshot

Band theory and Mott insulators: Hubbard U instead of Stoner I

inferredcites →https://doi.org/10.1103/physrevb.48.13115openalex-snapshot

Ab initio molecular dynamics for open-shell transition metals

inferredcites →https://doi.org/10.1103/physrevb.50.16861openalex-snapshot

Corrected atomic limit in the local-density approximation and the electronic structure of d impurities in Rb

inferredcites →https://doi.org/10.1103/physrevb.50.17953openalex-snapshot

Projector augmented-wave method

inferredcites →https://doi.org/10.1103/physrevb.52.r5467openalex-snapshot

Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators

inferredcites →https://doi.org/10.1103/physrevb.54.11169openalex-snapshot

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set

inferredcites →https://doi.org/10.1103/physrevb.59.11159openalex-snapshot

Intergrain tunneling magnetoresistance in polycrystals of the ordered double perovskite Sr2FeReO6

inferredcites →https://doi.org/10.1103/physrevb.64.125126openalex-snapshot

Electronic structure study of double perovskites A2FeReO6(A=Ba,Sr,Ca) and Sr2MMoO6 (M=Cr,Mn,Fe,Co) by LSDA and LSDA+U

inferredcites →https://doi.org/10.1103/physrevb.67.020411openalex-snapshot

Transport spin polarization in SrRuO3 measured through point-contact Andreev reflection

inferredcites →https://doi.org/10.1103/physrevb.67.094438openalex-snapshot

First-principles investigations of orbital magnetic moments and electronic structures of the double perovskites Sr2FeMoO6, Sr2FeReO6, and Sr2CrWO6

inferredcites →https://doi.org/10.1103/physrevb.68.144431openalex-snapshot

Structural and doping effects in the half-metallic double perovskite A 2 CrWO 6 ( A = Sr, Ba, and Ca)

inferredcites →https://doi.org/10.1103/physrevb.69.184412openalex-snapshot

Structural and electronic properties of the ordered double perovskites A2MReO6 (A =Sr,Ca; M =Mg,Sc,Cr,Mn,Fe,Co,Ni,Zn)

inferredcites →https://doi.org/10.1103/physrevb.70.035110openalex-snapshot

Electronic structure and exchange interactions in BaVS3

inferredcites →https://doi.org/10.1103/physrevb.80.224418openalex-snapshot

Half-metallic antiferromagnetic nature of La2VTcO6 and La2VCuO6 fromab initiocalculations

inferredcites →https://doi.org/10.1103/physrevlett.77.3865openalex-snapshot

Generalized Gradient Approximation Made Simple

inferredcites →https://doi.org/10.1103/physrevlett.85.2549openalex-snapshot

Electronic Structure of Sr2FeMoO6

inferredcites →https://doi.org/10.1103/physrevlett.93.156403openalex-snapshot

Charge-Orbital Ordering and Verwey Transition in Magnetite

inferredcites →https://doi.org/10.1126/science.264.5157.413openalex-snapshot

Thousandfold Change in Resistivity in Magnetoresistive La-Ca-Mn-O Films

inferredcites →https://doi.org/10.1143/jjap.39.l360openalex-snapshot

Room-Temperature Magnetoresistance in Fe-Site-Substituted Sr2FeMoO6

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Anion Replacement Effect on the Structural, Magnetoelectronic, and Optical Features of All Inorganic Halide Double Perovskites K2limox6 (X= Br, I) for Spintronic and Optical Devices

inferred← citeshttps://doi.org/10.1002/pssb.201800625openalex-snapshot

Structural, Magneto‐electronic, Mechanical, and Thermophysical Properties of Double Perovskite Ba2ZnReO6

inferred← citeshttps://doi.org/10.1007/978-981-16-8903-1_10openalex-snapshot

Electronic Structure and Optical Properties of Lead-Free Double Perovskite BaMgLaBiO6: A DFT Study

inferred← citeshttps://doi.org/10.1007/s10825-023-02073-1openalex-snapshot

Electronic structure and optical and thermoelectric response of lead-free double perovskite BaMgLaBiO6: a first-principles study

inferred← citeshttps://doi.org/10.1007/s11696-024-03846-zopenalex-snapshot

Exploring the magneto-optic, thermoelectric, and electronic properties of Ba2GdXO6 (X = Nb, & U) double perovskites by employing the DFT approach

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Scrutinize the physical attributes of thermodynamically and elastically stable double perovskite oxides Ba2CdXO6 (X = Mo, U) for optoelectronics, photocatalytic and green technology

inferred← citeshttps://doi.org/10.1016/j.commatsci.2024.113404openalex-snapshot

Insight into electronic and magnetic properties of Ba2NiOsO6 double perovskite: A Monte Carlo study and a comparative investigation between TB-mBJ and GGA+U

inferred← citeshttps://doi.org/10.1016/j.jmmm.2019.04.048openalex-snapshot

Structural, elastic, mechanical, electronic, magnetic, thermoelectric and thermodynamic investigation of half metallic double perovskite oxide Sr2MnTaO6

inferred← citeshttps://doi.org/10.1016/j.jmmm.2024.172311openalex-snapshot

Unveiling the electronic, optical, thermoelectric, and magnetic properties of novel Ba2GdMO6 (M = Pa, Ta) via DFT calculation

inferred← citeshttps://doi.org/10.1016/j.jpcs.2024.112187openalex-snapshot

The half-metallicity, thermoelectric and optoelectronic attributes of K2CeB’X6 (B’=Ag, Cu & X=Cl, Br) for spintronics and renewable energies: A spin-polarized DFT study

inferred← citeshttps://doi.org/10.1016/j.jssc.2023.124211openalex-snapshot

The spin-polarized electronic and optical properties of novel Ba2TaXO6 (X = Co, Fe, In) for optoelectronic applications: An ab-initio study

inferred← citeshttps://doi.org/10.1016/j.mseb.2018.12.007openalex-snapshot

A combined DFT, DFT + U and mBJ investigation on electronic structure, magnetic, mechanical and thermodynamics of double perovskite Ba2ZnOsO6

inferred← citeshttps://doi.org/10.1016/j.mssp.2022.107081openalex-snapshot

Structural, elastic, electronic, optical and thermoelectric response of lead-free double perovskite Rb2TlInX6 (X=Cl, I) for energy storage devices: DFT+SOC investigations

inferred← citeshttps://doi.org/10.1016/j.mssp.2023.107569openalex-snapshot

Scrutinized the spin-orbit coupling effect on the elastically and thermodynamically stable Rb2BCl6 (B = Pb, Ti) double perovskites for photocatalytic, optoelectronic and renewable energy applications

inferred← citeshttps://doi.org/10.1016/j.mssp.2024.108638openalex-snapshot

First-principles predictions of structure, half-metallic antiferromagnetism, optoelectronic, and elastic properties of double perovskites A2TaNiO6 (A = Ca, Sr, and Ba) for energy harvesting

inferred← citeshttps://doi.org/10.1016/j.mssp.2024.108747openalex-snapshot

Investigation of optoelectronic and magnetic properties of novel Ba2UXO6 (X = Co, Mn) double perovskites: For ecological advance energy applications

inferred← citeshttps://doi.org/10.1016/j.mssp.2025.109367openalex-snapshot

Probing the role of silver and gold based double perovskite halide oxides for optoelectronic and photocatalytic applications

inferred← citeshttps://doi.org/10.1016/j.physb.2024.416192openalex-snapshot

Anion replacement effect on the structural, magnetoelectronic, and optical features of all inorganic halide double perovskites K2LiMoX6 (X= Br, I) for spintronic and optical devices

inferred← citeshttps://doi.org/10.1088/1402-4896/accf4aopenalex-snapshot

Physical properties of elastically and thermodynamically stable magnetic AcXO3 (X = Cr, Fe) perovskite oxides: a DFT investigation

inferred← citeshttps://doi.org/10.1557/mrc.2016.24openalex-snapshot

Geometrical lattice engineering of complex oxide heterostructures: a designer approach to emergent quantum states

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