Aluminum Conducts Better than Copper at the Atomic Scale: A First-Principles Study of Metallic Atomic Wires

ACS Nano ◽  
2012 ◽  
Vol 6 (12) ◽  
pp. 10449-10455 ◽  
Author(s):  
Adam J. Simbeck ◽  
Nick Lanzillo ◽  
Neerav Kharche ◽  
Matthieu J. Verstraete ◽  
Saroj K. Nayak
Keyword(s):  
First Principles ◽  
Atomic Scale ◽  
First Principles Study ◽  
Atomic Wires ◽  
Better Than

scholarly journals Correction to Aluminum Conducts Better than Copper at the Atomic Scale: A First-Principles Study of Metallic Atomic Wires

ACS Nano ◽  
2015 ◽  
Vol 9 (6) ◽  
pp. 6635-6635
Author(s):  
Adam J. Simbeck ◽  
Nick Lanzillo ◽  
Neerav Kharche ◽  
Matthieu J. Verstraete ◽  
Saroj K. Nayak
Keyword(s):  
First Principles ◽  
Atomic Scale ◽  
First Principles Study ◽  
Atomic Wires ◽  
Better Than

scholarly journals Preferential proton conduction along a three-dimensional dopant network in yttrium-doped barium zirconate: a first-principles study

2018 ◽  
Vol 6 (45) ◽  
pp. 22721-22730 ◽  
Author(s):  
Kazuaki Toyoura ◽  
Weijie Meng ◽  
Donglin Han ◽  
Tetsuya Uda
Keyword(s):  
First Principles ◽  
Three Dimensional ◽  
Proton Conduction ◽  
Atomic Scale ◽  
Barium Zirconate ◽  
First Principles Calculations ◽  
First Principles Study

The atomic-scale picture of proton conduction in highly doped barium zirconate has theoretically been clarified using first-principles calculations.

Hydroxide-ion incorporation and conduction mechanisms in tin pyrophosphate – a first-principles study

2015 ◽  
Vol 3 (22) ◽  
pp. 11905-11911 ◽  
Author(s):  
Junya Terasaka ◽  
Kazuaki Toyoura ◽  
Atsutomo Nakamura ◽  
Katsuyuki Matsunaga
Keyword(s):  
First Principles ◽  
Atomic Scale ◽  
Ion Conduction ◽  
Hydroxide Ion ◽  
First Principles Study ◽  
Conduction Mechanisms ◽  
Ion Incorporation

An atomic-scale picture of the hydroxide-ion conduction in tin pyrophosphate (SnP2O7) has theoretically been proposed in the present study.

First-principles study of a vertical spin switch in atomic scale two-dimensional platform

2019 ◽  
Vol 484 ◽  
pp. 462-471 ◽  
Author(s):  
Mihir Ranjan Sahoo ◽  
Anoop Kumar Kushwaha ◽  
Ranjit Pati ◽  
P.M. Ajayan ◽  
Saroj Kumar Nayak
Keyword(s):  
First Principles ◽  
Atomic Scale ◽  
Two Dimensional ◽  
First Principles Study ◽  
Spin Switch

First-principles study of atomic wires on a H-terminated Si(100)-(2 × 1) surface

1997 ◽  
Vol 386 (1-3) ◽  
pp. 340-342 ◽  
Author(s):  
S. Watanabe ◽  
Y.A. Ono ◽  
T. Hashizume ◽  
Y. Wada
Keyword(s):  
First Principles ◽  
First Principles Study ◽  
Atomic Wires

scholarly journals Stability of the V and Co atomic wires: a first-principles study

RSC Advances ◽  
2018 ◽  
Vol 8 (72) ◽  
pp. 41552-41560
Author(s):  
Shu-Lan Liu ◽  
Bao-Ru Wang ◽  
Qing-Min Ma ◽  
Zun Xie
Keyword(s):  
Dft Calculations ◽  
Structural Stability ◽  
First Principles ◽  
First Principles Study ◽  
Atomic Wires ◽  
Electromagnetic Characteristics

We employ DFT calculations with the PAW method to investigate the structural stability and electromagnetic characteristics of two infinite atomic wires made of vanadium (V) and cobalt (Co).

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