Nonlocal density-functional calculations of the surface electronic structure of metals: Application to aluminum and palladium

M. Heinrichsmeier; A. Fleszar; W. Hanke; A. G. Eguiluz

doi:10.1103/physrevb.57.14974

Nonlocal density-functional calculations of the surface electronic structure of metals: Application to aluminum and palladium

Physical Review B ◽

10.1103/physrevb.57.14974 ◽

1998 ◽

Vol 57 (23) ◽

pp. 14974-14982 ◽

Cited By ~ 38

Author(s):

M. Heinrichsmeier ◽

A. Fleszar ◽

W. Hanke ◽

A. G. Eguiluz

Keyword(s):

Electronic Structure ◽

Density Functional Calculations ◽

Density Functional ◽

Surface Electronic Structure

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Hybrid density functional calculations of the surface electronic structure of GdN

Physical Review B ◽

10.1103/physrevb.91.235148 ◽

2015 ◽

Vol 91 (23) ◽

Author(s):

Lukas Eugen Marsoner Steinkasserer ◽

Beate Paulus ◽

Nicola Gaston

Keyword(s):

Electronic Structure ◽

Density Functional Calculations ◽

Density Functional ◽

Surface Electronic Structure ◽

Hybrid Density Functional

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Gap opening in the surface electronic structure of graphite induced by adsorption of alkali atoms: Photoemission experiments and density functional calculations

Physical Review B ◽

10.1103/physrevb.71.165430 ◽

2005 ◽

Vol 71 (16) ◽

Cited By ~ 21

Author(s):

Marina Pivetta ◽

François Patthey ◽

Ingo Barke ◽

Heinz Hövel ◽

Bernard Delley ◽

...

Keyword(s):

Electronic Structure ◽

Density Functional Calculations ◽

Density Functional ◽

Surface Electronic Structure ◽

Alkali Atoms ◽

Gap Opening

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Relativistic scalar and spin–orbit density functional calculations of the electronic structure, NICS index and ELF function of the [Re2(CO)8(μ-BiPh)2] and [Re2(CO)8(μ-BiPh2)2] clusters

Polyhedron ◽

10.1016/j.poly.2010.12.022 ◽

2011 ◽

Vol 30 (5) ◽

pp. 846-850 ◽

Cited By ~ 8

Author(s):

Eduardo Schott ◽

Ximena Zárate ◽

Ramiro Arratia-Pérez

Keyword(s):

Electronic Structure ◽

Density Functional Calculations ◽

Density Functional ◽

Spin Orbit

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Elastic stability and electronic structure of tantalum boride investigated via first-principles density functional calculations

Journal of Physics and Chemistry of Solids ◽

10.1016/j.jpcs.2012.05.007 ◽

2012 ◽

Vol 73 (10) ◽

pp. 1197-1202 ◽

Cited By ~ 10

Author(s):

Hai-Hua Chen ◽

Yan Bi ◽

Yan Cheng ◽

Guangfu Ji ◽

Lingcang Cai

Keyword(s):

Electronic Structure ◽

First Principles ◽

Density Functional Calculations ◽

Density Functional ◽

Elastic Stability

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An electronic structure study of O-terminated zigzag BN nanotubes: Density functional calculations of the quadrupole coupling constants

Solid State Communications ◽

10.1016/j.ssc.2010.04.012 ◽

2010 ◽

Vol 150 (27-28) ◽

pp. 1238-1240 ◽

Cited By ~ 10

Author(s):

Maryam Mirzaei ◽

Mahmoud Mirzaei

Keyword(s):

Electronic Structure ◽

Density Functional Calculations ◽

Density Functional ◽

Structure Study ◽

Coupling Constants ◽

Quadrupole Coupling ◽

Bn Nanotubes

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Molecular structure, electronic structure and vibrational spectra of metal-free, N,N′-dideuterio, and magnesium tetrakis(thiadiazole)porphyrazines: Density functional calculations

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2005.08.029 ◽

2005 ◽

Vol 755 (1-3) ◽

pp. 179-186 ◽

Cited By ~ 8

Author(s):

Xianxi Zhang ◽

Zhongqiang Liu ◽

Ning Sheng ◽

Jianzhuang Jiang

Keyword(s):

Molecular Structure ◽

Electronic Structure ◽

Vibrational Spectra ◽

Density Functional Calculations ◽

Density Functional ◽

Metal Free

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Effect of skeleton conformation on the electronic structure of 50% Ti substituted polysilanes from density functional calculations

Synthetic Metals ◽

10.1016/j.synthmet.2015.01.013 ◽

2015 ◽

Vol 202 ◽

pp. 98-102

Author(s):

Asanee Somdee ◽

Malliga Suewattana ◽

Asawin Sinsarp ◽

Withoon Chunwachirasiri

Keyword(s):

Electronic Structure ◽

Density Functional Calculations ◽

Density Functional

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Triple-domain effects on the electronic structure of Pb/Si(111)-(×): Density-functional calculations

Surface Science ◽

10.1016/j.susc.2010.12.015 ◽

2011 ◽

Vol 605 (5-6) ◽

pp. 551-554 ◽

Cited By ~ 10

Author(s):

Sung Chul Jung ◽

Myung Ho Kang

Keyword(s):

Electronic Structure ◽

Density Functional Calculations ◽

Density Functional

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Electronic Structure of ReO3Me by Variable Photon Energy Photoelectron Spectroscopy, Absorption Spectroscopy and Density Functional Calculations

Inorganic Chemistry ◽

10.1021/ic020547+ ◽

2003 ◽

Vol 42 (6) ◽

pp. 1908-1918 ◽

Cited By ~ 5

Author(s):

Monica de Simone ◽

Marcello Coreno ◽

Jennifer C. Green ◽

Sean McGrady ◽

Helen Pritchard

Keyword(s):

Electronic Structure ◽

Photon Energy ◽

Absorption Spectroscopy ◽

Photoelectron Spectroscopy ◽

Density Functional Calculations ◽

Density Functional

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Relationship ofLi2WO4to the scheelite tungstate scintillators: Electronic structure and atomic positions from density-functional calculations

Physical Review B ◽

10.1103/physrevb.77.113101 ◽

2008 ◽

Vol 77 (11) ◽

Cited By ~ 4

Author(s):

D. J. Singh

Keyword(s):

Electronic Structure ◽

Density Functional Calculations ◽

Density Functional

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