First-principles calculation of the effective on-site Coulomb interaction parameters for 
Sr2
AB
O6(A=Cr,Mn,Fe,Co,Ni
, and 
B=Mo,W)
 double perovskites

A. Neroni; E. Şaşıoğlu; H. Hadipour; C. Friedrich; S. Blügel; I. Mertig; M. Ležaić

doi:10.1103/physrevb.100.115113

First-principles calculation of the effective on-site Coulomb interaction parameters for Sr2 AB O6(A=Cr,Mn,Fe,Co,Ni , and B=Mo,W) double perovskites

Physical Review B ◽

10.1103/physrevb.100.115113 ◽

2019 ◽

Vol 100 (11) ◽

Cited By ~ 1

Author(s):

A. Neroni ◽

E. Şaşıoğlu ◽

H. Hadipour ◽

C. Friedrich ◽

S. Blügel ◽

...

Keyword(s):

Coulomb Interaction ◽

First Principles ◽

First Principles Calculation ◽

Interaction Parameters ◽

Double Perovskites

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First-principles calculation of the Coulomb interaction parameters U and J for actinide dioxides

Physical Review B ◽

10.1103/physrevb.103.045113 ◽

2021 ◽

Vol 103 (4) ◽

Author(s):

Jean-Baptiste Morée ◽

Robinson Outerovitch ◽

Bernard Amadon

Keyword(s):

Coulomb Interaction ◽

First Principles ◽

First Principles Calculation ◽

Interaction Parameters

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First-principles calculation of Coulomb interaction parameters for lanthanides: Role of self-consistence and screening processes

Physical Review B ◽

10.1103/physrevb.98.205101 ◽

2018 ◽

Vol 98 (20) ◽

Cited By ~ 3

Author(s):

Jean-Baptiste Morée ◽

Bernard Amadon

Keyword(s):

Coulomb Interaction ◽

First Principles ◽

First Principles Calculation ◽

Interaction Parameters

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Electronic Structure and Optical Properties of Vacancy-Ordered Double Perovskites Cs2Pd BrxCl6–x by First-Principles Calculation

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.0c00137 ◽

2020 ◽

Vol 124 (24) ◽

pp. 13310-13315

Author(s):

Zi-Yan Wang ◽

Yi Chen ◽

Chongyang Zhang ◽

Dan Wang ◽

Pei Liang ◽

...

Keyword(s):

Optical Properties ◽

Electronic Structure ◽

First Principles ◽

First Principles Calculation ◽

Double Perovskites

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FIRST PRINCIPLES CALCULATION OF THE PHONON SPECTRA OF SOLIDS

Le Journal de Physique Colloques ◽

10.1051/jphyscol:19816181 ◽

1981 ◽

Vol 42 (C6) ◽

pp. C6-625-C6-627 ◽

Cited By ~ 2

Author(s):

P. E. Van Camp ◽

V. E. Van Doren ◽

J. T. Devreese

Keyword(s):

First Principles ◽

First Principles Calculation ◽

Phonon Spectra

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First-Principles Calculation of a Chloride Susceptibility Index as a Scientific Descriptor for Repassivation Property of Corrosion Resistant Alloys

SSRN Electronic Journal ◽

10.2139/ssrn.3581344 ◽

2020 ◽

Author(s):

Huibin Ke ◽

Tianshu Li ◽

Pin Lu ◽

Gerald S. Frankel ◽

Christopher D. Taylor

Keyword(s):

First Principles ◽

First Principles Calculation ◽

Corrosion Resistant ◽

Susceptibility Index

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A FIRST-PRINCIPLES CALCULATION OF THE MAGNETIC MOMENT AND ELECTRONIC STRUCTURE FOR SELECTED HALF-HEUSLER ALLOYS

Modern Trends in Physics Research ◽

10.1142/9789814317511_0005 ◽

2011 ◽

Author(s):

SAMY H. ALY ◽

RIHAM SHAPARA ◽

SHERIF YEHIA

Keyword(s):

Electronic Structure ◽

Magnetic Moment ◽

First Principles ◽

Heusler Alloys ◽

First Principles Calculation

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First-principles calculation of the structural, electronic and optical properties of GaSe_(1-x) S_(x) (x = 0, 0.25, 0.5 and 1) compounds

Advances in Materials and Processing Technologies ◽

10.1080/2374068x.2021.1939991 ◽

2021 ◽

pp. 1-13

Author(s):

Mohamed Al-Hattab ◽

L’Houcine Moudou ◽

younes Chrafih ◽

Khalid Rahmani ◽

Mohammed Khenfouch ◽

...

Keyword(s):

Optical Properties ◽

First Principles ◽

First Principles Calculation ◽

Electronic And Optical Properties

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First-principles calculation of electronic, vibrational, and thermodynamic properties of triaminoguanidinium nitrate

Journal of Molecular Modeling ◽

10.1007/s00894-021-04803-3 ◽

2021 ◽

Vol 27 (6) ◽

Author(s):

Wen-Guang Li ◽

Yun-Dan Gan ◽

Zhi-Xin Bai ◽

Ming-Jian Zhang ◽

Fu-Sheng Liu ◽

...

Keyword(s):

Thermodynamic Properties ◽

First Principles ◽

First Principles Calculation

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First principles calculation of resistive random access memory based on multi-layer 2H phase molybdenum disulfide resistive layer

2021 4th International Conference on Electron Device and Mechanical Engineering (ICEDME) ◽

10.1109/icedme52809.2021.00013 ◽

2021 ◽

Author(s):

Renjie Ding ◽

Yuehua Dai ◽

Jianhua Gao ◽

Lihua Huang ◽

Peng Wang

Keyword(s):

Molybdenum Disulfide ◽

First Principles ◽

Random Access ◽

Random Access Memory ◽

Resistive Random Access Memory ◽

First Principles Calculation ◽

Access Memory ◽

Resistive Layer

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Experimental study, first-principles calculation and thermodynamic modelling of the Cr–Fe–Nb–Sn–Zr quinary system for application as cladding materials in nuclear reactors.

Journal of Nuclear Materials ◽

10.1016/j.jnucmat.2020.152692 ◽

2021 ◽

Vol 544 ◽

pp. 152692

Author(s):

Paul Lafaye ◽

Caroline Toffolon-Masclet ◽

Jean-Claude Crivello ◽

Jean-Marc Joubert

Keyword(s):

Experimental Study ◽

First Principles ◽

Nuclear Reactors ◽

Thermodynamic Modelling ◽

First Principles Calculation ◽

Quinary System

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