First-principles study of the coverage dependence of the electronic structure of alkali-metal-metal surfaces: Na on Al(001)

H. Ishida; K. Terakura

doi:10.1103/physrevb.38.5752

First-principles study of the coverage dependence of the electronic structure of alkali-metal-metal surfaces: Na on Al(001)

Physical Review B ◽

10.1103/physrevb.38.5752 ◽

1988 ◽

Vol 38 (8) ◽

pp. 5752-5755 ◽

Cited By ~ 118

Author(s):

H. Ishida ◽

K. Terakura

Keyword(s):

Electronic Structure ◽

Alkali Metal ◽

First Principles ◽

Metal Surfaces ◽

First Principles Study ◽

Coverage Dependence ◽

Metal Metal

Download Full-text

First-principles study of electronic structure and ground-state properties of alkali-metal sulfides – Li2S, Na2S, K2S and Rb2S

physica status solidi (b) ◽

10.1002/pssb.200642506 ◽

2007 ◽

Vol 244 (4) ◽

pp. 1337-1346 ◽

Cited By ~ 44

Author(s):

R. D. Eithiraj ◽

G. Jaiganesh ◽

G. Kalpana ◽

M. Rajagopalan

Keyword(s):

Electronic Structure ◽

Alkali Metal ◽

Ground State ◽

First Principles ◽

Metal Sulfides ◽

First Principles Study ◽

Ground State Properties

Download Full-text

Electronic structure and ground-state properties of alkali-metal oxides–Li2O, Na2O, K2O and Rb2O: A first-principles study

Physica B Condensed Matter ◽

10.1016/j.physb.2007.03.024 ◽

2007 ◽

Vol 396 (1-2) ◽

pp. 124-131 ◽

Cited By ~ 24

Author(s):

R.D. Eithiraj ◽

G. Jaiganesh ◽

G. Kalpana

Keyword(s):

Electronic Structure ◽

Alkali Metal ◽

Metal Oxides ◽

Ground State ◽

First Principles ◽

First Principles Study ◽

Ground State Properties

Download Full-text

Strain effect on electronic structure and thermoelectric properties of orthorhombic SnSe: A first principles study

AIP Advances ◽

10.1063/1.4936636 ◽

2015 ◽

Vol 5 (11) ◽

pp. 117147 ◽

Cited By ~ 22

Author(s):

Do Duc Cuong ◽

S. H. Rhim ◽

Joo-Hyong Lee ◽

Soon Cheol Hong

Keyword(s):

Electronic Structure ◽

Thermoelectric Properties ◽

First Principles ◽

Strain Effect ◽

First Principles Study

Download Full-text

Structure sensitivity of ammonia electro-oxidation on transition metal surfaces: A first-principles study

Journal of Catalysis ◽

10.1016/j.jcat.2021.03.010 ◽

2021 ◽

Vol 397 ◽

pp. 137-147

Author(s):

Ahmed O. Elnabawy ◽

Jeffrey A. Herron ◽

Sara Karraker ◽

Manos Mavrikakis

Keyword(s):

Transition Metal ◽

First Principles ◽

Metal Surfaces ◽

Structure Sensitivity ◽

First Principles Study ◽

Transition Metal Surfaces ◽

Electro Oxidation

Download Full-text

First-principles study of (Ti5−xMgx)Si3 phases with the hexagonal D88 structure: Elastic properties and electronic structure

Computational Materials Science ◽

10.1016/j.commatsci.2011.10.042 ◽

2012 ◽

Vol 54 ◽

pp. 287-292 ◽

Cited By ~ 11

Author(s):

Xiao-Jun Chen ◽

Meng-Xue Zeng ◽

Ren-Nian Wang ◽

Zhou-Sheng Mo ◽

Bi-Yu Tang ◽

...

Keyword(s):

Electronic Structure ◽

Elastic Properties ◽

First Principles ◽

First Principles Study

Download Full-text

First-principles study of electronic structure, sodium diffusion, and (de)intercalation in NASICON NaMR(MoO4)3 (M = Mg, Ni; R = Cr, Fe)

Ionics ◽

10.1007/s11581-021-04133-7 ◽

2021 ◽

Author(s):

Alexander Serdtsev ◽

Irina Kotova ◽

Nadezhda Medvedeva

Keyword(s):

Electronic Structure ◽

First Principles ◽

First Principles Study ◽

Sodium Diffusion

Download Full-text

First principles study on electronic structure and elastic properties of LaCd and LaHg

10.1063/1.4872850 ◽

2014 ◽

Author(s):

Hansa Devi ◽

Gitanjali Pagare ◽

S. S. Chouhan ◽

Sankar P. Sanyal

Keyword(s):

Electronic Structure ◽

Elastic Properties ◽

First Principles ◽

First Principles Study

Download Full-text

First-principles study of electronic structure of deformed carbon nanotubes

Science and Technology of Advanced Materials ◽

10.1016/j.stam.2006.12.008 ◽

2007 ◽

Vol 8 (3) ◽

pp. 200-203 ◽

Cited By ~ 6

Author(s):

Kazuchika Iwami ◽

Hidekazu Goto ◽

Kikuji Hirose ◽

Tomoya Ono

Keyword(s):

Carbon Nanotubes ◽

Electronic Structure ◽

First Principles ◽

First Principles Study

Download Full-text

First-principles study of the thermodynamic properties and electronic structure of compounds from Hf–Ni phase system

Computational Materials Science ◽

10.1016/j.commatsci.2010.04.019 ◽

2010 ◽

Vol 49 (1) ◽

pp. 55-59 ◽

Cited By ~ 6

Author(s):

Jana Radaković ◽

Katarina Ćirić ◽

Jelena Belošević-Čavor ◽

Vasil Koteski

Keyword(s):

Electronic Structure ◽

Thermodynamic Properties ◽

First Principles ◽

Phase System ◽

First Principles Study

Download Full-text

First-principles study of the electronic structure of NaTaO3

Solid State Communications ◽

10.1016/s0038-1098(01)00353-2 ◽

2001 ◽

Vol 120 (4) ◽

pp. 137-140 ◽

Cited By ~ 21

Author(s):

Y.X. Wang ◽

W.L. Zhong ◽

C.L. Wang ◽

P.L. Zhang

Keyword(s):

Electronic Structure ◽

First Principles ◽

First Principles Study

Download Full-text