Electronic structure and bonding inMo3Si,Mo5Si3, andMo(Si,Al)2alloys investigated by x-ray photoelectron spectroscopy and density-functional theory

D. A. Pankhurst; Z. Yuan; D. Nguyen-Manh; M.-L. Abel; G. Shao; J. F. Watts; D. G. Pettifor; P. Tsakiropoulos

doi:10.1103/physrevb.71.075114

Electronic structure and bonding inMo3Si,Mo5Si3, andMo(Si,Al)2alloys investigated by x-ray photoelectron spectroscopy and density-functional theory

Physical Review B ◽

10.1103/physrevb.71.075114 ◽

2005 ◽

Vol 71 (7) ◽

Cited By ~ 28

Author(s):

D. A. Pankhurst ◽

Z. Yuan ◽

D. Nguyen-Manh ◽

M.-L. Abel ◽

G. Shao ◽

...

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Photoelectron Spectroscopy ◽

Density Functional ◽

Functional Theory ◽

X Ray ◽

Structure And Bonding

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SIMULATION OF THE ELECTRONIC STRUCTURE OF C(C2H)4 AND Ge(C2H)4 BY THE DENSITY FUNCTIONAL THEORY USING X-RAY PHOTOELECTRON SPECTROSCOPY DATA

Journal of Structural Chemistry ◽

10.1134/s0022476621110044 ◽

2021 ◽

Vol 62 (11) ◽

pp. 1684-1693

Author(s):

M. M. Tatevosyan ◽

T. N. Zhukova ◽

V. G. Vlasenko

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Photoelectron Spectroscopy ◽

Density Functional ◽

Spectroscopy Data ◽

Functional Theory ◽

X Ray ◽

The Density Functional Theory

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Insights into the electronic structure of OsO2 using soft and hard x-ray photoelectron spectroscopy in combination with density functional theory

Physical Review Materials ◽

10.1103/physrevmaterials.3.025001 ◽

2019 ◽

Vol 3 (2) ◽

Cited By ~ 1

Author(s):

Anna Regoutz ◽

Alex M. Ganose ◽

Lars Blumenthal ◽

Christoph Schlueter ◽

Tien-Lin Lee ◽

...

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Photoelectron Spectroscopy ◽

Density Functional ◽

Functional Theory ◽

X Ray

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Electronic structure ofLaNiO3−xthin films studied by x-ray photoelectron spectroscopy and density functional theory

Physical Review B ◽

10.1103/physrevb.82.165120 ◽

2010 ◽

Vol 82 (16) ◽

Cited By ~ 14

Author(s):

Š. Masys ◽

S. Mickevičius ◽

S. Grebinskij ◽

V. Jonauskas

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Photoelectron Spectroscopy ◽

Density Functional ◽

Functional Theory ◽

X Ray

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Electronic structure of tris-dibenzoylmethanates of Sc, Y, La rare-earth elements from the results of studies by X-ray photoelectron spectroscopy and density functional theory

Journal of Structural Chemistry ◽

10.1134/s0022476614060080 ◽

2014 ◽

Vol 55 (6) ◽

pp. 1057-1066 ◽

Cited By ~ 12

Author(s):

V. V. Korochentsev ◽

V. I. Vovna ◽

I. V. Kalinovskaya ◽

A. A. Komissarov ◽

A. A. Dotsenko ◽

...

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Rare Earth ◽

Rare Earth Elements ◽

Photoelectron Spectroscopy ◽

Density Functional ◽

Functional Theory ◽

X Ray

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Understanding the Electronic Structure ofIrO2Using Hard-X-ray Photoelectron Spectroscopy and Density-Functional Theory

Physical Review Letters ◽

10.1103/physrevlett.112.117601 ◽

2014 ◽

Vol 112 (11) ◽

Cited By ~ 61

Author(s):

J. M. Kahk ◽

C. G. Poll ◽

F. E. Oropeza ◽

J. M. Ablett ◽

D. Céolin ◽

...

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Photoelectron Spectroscopy ◽

Density Functional ◽

Functional Theory ◽

X Ray

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Electronic structure studies of Ni–X (X: B, S, P) alloys using x-ray photoelectron spectroscopy, x-ray induced Auger electron spectroscopy and density functional theory calculations

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/21/24/245503 ◽

2009 ◽

Vol 21 (24) ◽

pp. 245503 ◽

Cited By ~ 7

Author(s):

S Diplas ◽

O M Løvvik

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Auger Electron Spectroscopy ◽

Photoelectron Spectroscopy ◽

Electron Spectroscopy ◽

Density Functional ◽

Auger Electron ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

X Ray

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Electronic structure of guanidine and its derivatives from X-ray photoelectron spectroscopy and density functional theory studies

Russian Journal of General Chemistry ◽

10.1134/s1070363214010071 ◽

2014 ◽

Vol 84 (1) ◽

pp. 25-32 ◽

Cited By ~ 6

Author(s):

V. V. Korochentsev ◽

I. S. Os’mushko ◽

I. B. Lvov ◽

A. A. Komissarov ◽

A. A. Dotsenko ◽

...

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Photoelectron Spectroscopy ◽

Density Functional ◽

Functional Theory ◽

X Ray

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Physical genetics: Cross-breeding density functional theory and X-ray photoelectron spectroscopy to rationalize chemical shifts of binding energies in solid compounds

Solid State Sciences ◽

10.1016/j.solidstatesciences.2020.106359 ◽

2020 ◽

Vol 110 ◽

pp. 106359

Author(s):

Horst P. Beck ◽

Giuliano Moretti

Keyword(s):

Density Functional Theory ◽

Photoelectron Spectroscopy ◽

Density Functional ◽

Chemical Shifts ◽

Binding Energies ◽

Breeding Density ◽

Functional Theory ◽

X Ray ◽

Cross Breeding ◽

Solid Compounds

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Study of the Electronic Structure of M2(CH2CMe3)6 (M = Mo, W) by Photoelectron Spectroscopy and Density Functional Theory

Organometallics ◽

10.1021/acs.organomet.1c00586 ◽

2021 ◽

Author(s):

Monica de Simone ◽

Marcello Coreno ◽

Roberta Totani ◽

Nicolas E. Capra ◽

Louis Messerle ◽

...

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Photoelectron Spectroscopy ◽

Density Functional ◽

Functional Theory

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Electronic structure of commensurate, nearly commensurate, and incommensurate phases of 1T−TaS2 by angle-resolved photoelectron spectroscopy, scanning tunneling spectroscopy, and density functional theory

Physical Review B ◽

10.1103/physrevb.98.195425 ◽

2018 ◽

Vol 98 (19) ◽

Cited By ~ 8

Author(s):

I. Lutsyk ◽

M. Rogala ◽

P. Dabrowski ◽

P. Krukowski ◽

P. J. Kowalczyk ◽

...

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Photoelectron Spectroscopy ◽

Density Functional ◽

Scanning Tunneling Spectroscopy ◽

Tunneling Spectroscopy ◽

Scanning Tunneling ◽

Functional Theory ◽

Incommensurate Phases

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