Atomic-scale structure of theSrTiO3(001)−c(6×2)reconstruction: Experiments and first-principles calculations

C. H. Lanier; A. van de Walle; N. Erdman; E. Landree; O. Warschkow; A. Kazimirov; K. R. Poeppelmeier; J. Zegenhagen; M. Asta; L. D. Marks

doi:10.1103/physrevb.76.045421

Atomic-scale structure of theSrTiO3(001)−c(6×2)reconstruction: Experiments and first-principles calculations

Physical Review B ◽

10.1103/physrevb.76.045421 ◽

2007 ◽

Vol 76 (4) ◽

Cited By ~ 46

Author(s):

C. H. Lanier ◽

A. van de Walle ◽

N. Erdman ◽

E. Landree ◽

O. Warschkow ◽

...

Keyword(s):

First Principles ◽

Scale Structure ◽

Atomic Scale ◽

First Principles Calculations ◽

Atomic Scale Structure

Download Full-text

Determining Atomic-Scale Structure and Composition of Organo-Lead Halide Perovskites by Combining High-Resolution X-ray Absorption Spectroscopy and First-Principles Calculations

ACS Energy Letters ◽

10.1021/acsenergylett.7b00182 ◽

2017 ◽

Vol 2 (5) ◽

pp. 1183-1189 ◽

Cited By ~ 11

Author(s):

Walter S. Drisdell ◽

Linn Leppert ◽

Carolin M. Sutter-Fella ◽

Yufeng Liang ◽

Yanbo Li ◽

...

Keyword(s):

High Resolution ◽

Absorption Spectroscopy ◽

First Principles ◽

Scale Structure ◽

Atomic Scale ◽

First Principles Calculations ◽

X Ray ◽

Halide Perovskites ◽

X Ray Absorption ◽

Lead Halide

Download Full-text

Atomic-scale structure of the glassy Ge2Sb2Te5 phase change material: A quantitative assessment via first-principles molecular dynamics

Physical Review B ◽

10.1103/physrevb.96.224204 ◽

2017 ◽

Vol 96 (22) ◽

Cited By ~ 16

Author(s):

Assil Bouzid ◽

Guido Ori ◽

Mauro Boero ◽

Evelyne Lampin ◽

Carlo Massobrio

Keyword(s):

Molecular Dynamics ◽

Phase Change ◽

Phase Change Material ◽

First Principles ◽

Quantitative Assessment ◽

Scale Structure ◽

Atomic Scale ◽

Atomic Scale Structure ◽

Change Material ◽

First Principles Molecular Dynamics

Download Full-text

First-principles study of the atomic-scale structure of clean silicon tips in dynamic force microscopy

Physical Review B ◽

10.1103/physrevb.74.165318 ◽

2006 ◽

Vol 74 (16) ◽

Cited By ~ 7

Author(s):

V. Caciuc ◽

H. Hölscher ◽

S. Blügel ◽

H. Fuchs

Keyword(s):

First Principles ◽

Scale Structure ◽

Atomic Scale ◽

Dynamic Force ◽

Force Microscopy ◽

First Principles Study ◽

Atomic Scale Structure

Download Full-text

Atomic-scale structure of η-phase Mn3N2(010) studied by scanning tunneling microscopy and first-principles theory

Surface Science ◽

10.1016/j.susc.2003.10.055 ◽

2004 ◽

Vol 548 (1-3) ◽

pp. 117-128 ◽

Cited By ~ 10

Author(s):

Haiqiang Yang ◽

Rong Yang ◽

Arthur R Smith ◽

Walter R.L Lambrecht

Keyword(s):

Scanning Tunneling Microscopy ◽

First Principles ◽

Scale Structure ◽

Atomic Scale ◽

Scanning Tunneling ◽

Tunneling Microscopy ◽

Atomic Scale Structure

Download Full-text

Insights into the atomic scale structure, bond characteristics and wetting behavior of Cu(001)/Cu6Sn5(110) interface: A first-principles investigation

Vacuum ◽

10.1016/j.vacuum.2021.110103 ◽

2021 ◽

Vol 187 ◽

pp. 110103

Author(s):

Wenchao Yang ◽

Jingwu Wu ◽

Mingjun Pang ◽

Yongzhong Zhan

Keyword(s):

First Principles ◽

Scale Structure ◽

Atomic Scale ◽

Wetting Behavior ◽

Atomic Scale Structure ◽

Bond Characteristics

Download Full-text

ATOMIC SCALE STRUCTURE AND MAGNETIC PROPERTIES OF SOME METALLIC ALLOY GLASSES

Le Journal de Physique Colloques ◽

10.1051/jphyscol:1975214 ◽

1975 ◽

Vol 36 (C2) ◽

pp. C2-73-C2-74

Author(s):

G. S. CARGILL

Keyword(s):

Magnetic Properties ◽

Scale Structure ◽

Metallic Alloy ◽

Atomic Scale ◽

Atomic Scale Structure

Download Full-text

Atomic scale effects of zirconium and hafnium incorporation at a model silicon/silicate interface by first principles calculations

IEEE Electron Device Letters ◽

10.1109/55.892429 ◽

2001 ◽

Vol 22 (1) ◽

pp. 14-16 ◽

Cited By ~ 45

Author(s):

A. Kawamoto ◽

J. Jameson ◽

P. Griffin ◽

Kyeongjae Cho ◽

R. Dutton

Keyword(s):

First Principles ◽

Scale Effects ◽

Atomic Scale ◽

First Principles Calculations

Download Full-text

Atomic-scale structure and chemistry of ceramic/metal interfaces—I. Atomic structure of {222} MgO/Cu (Ag) interfaces

Acta Materialia ◽

10.1016/s1359-6454(99)00255-4 ◽

1999 ◽

Vol 47 (15-16) ◽

pp. 3939-3951 ◽

Cited By ~ 28

Author(s):

D.A Shashkov ◽

M.F Chisholm ◽

D.N Seidman

Keyword(s):

Atomic Structure ◽

Scale Structure ◽

Atomic Scale ◽

Metal Interfaces ◽

Atomic Scale Structure

Download Full-text

Atomic-Scale Structure of SixGe1-x Solid Solutions

Journal of Metastable and Nanocrystalline Materials ◽

10.4028/www.scientific.net/jmnm.24-25.523 ◽

2005 ◽

Vol 24-25 ◽

pp. 523-526 ◽

Cited By ~ 1

Author(s):

Ichiro Yonenaga ◽

Masaki Sakurai ◽

Marcel H.F. Sluiter ◽

Y. Kawazoe

Keyword(s):

Solid Solutions ◽

Scale Structure ◽

Atomic Scale ◽

Atomic Scale Structure

Download Full-text

Interaction of gas molecules with crystalline polymer separation membranes: Atomic-scale modeling and first-principles calculations

Journal of Membrane Science ◽

10.1016/j.memsci.2011.09.020 ◽

2011 ◽

Vol 384 (1-2) ◽

pp. 176-183 ◽

Cited By ~ 3

Author(s):

Yanting Wang ◽

Sergey N. Rashkeev ◽

John R. Klaehn ◽

Christopher J. Orme ◽

Eric S. Peterson

Keyword(s):

First Principles ◽

Crystalline Polymer ◽

Atomic Scale ◽

First Principles Calculations ◽

Separation Membranes ◽

Scale Modeling ◽

Gas Molecules ◽

Polymer Separation

Download Full-text