TY - JOUR
T1 - Capacitance of metallic and semiconducting nanowires examined by first-principles calculations
AU - CHAN, Anthony T L
N1 - Copyright:
Copyright 2013 Elsevier B.V., All rights reserved.
PY - 2012/12/14
Y1 - 2012/12/14
N2 - The capacitance of Al and P-doped Si nanowires a few nanometers in diameter are examined by first-principles calculations. During charging, the metallic nanowire expels the charge to its surface, and its capacitance stays relatively constant. For the semiconducting nanowire, depletion of conduction electrons can lead to an increase in the work function, which results in a drop in the capacitance when charged beyond a threshold. This study is made possible by developing a formalism for total energy calculations of charged periodic systems with a specific electrostatic boundary condition.
AB - The capacitance of Al and P-doped Si nanowires a few nanometers in diameter are examined by first-principles calculations. During charging, the metallic nanowire expels the charge to its surface, and its capacitance stays relatively constant. For the semiconducting nanowire, depletion of conduction electrons can lead to an increase in the work function, which results in a drop in the capacitance when charged beyond a threshold. This study is made possible by developing a formalism for total energy calculations of charged periodic systems with a specific electrostatic boundary condition.
UR - http://www.scopus.com/inward/record.url?scp=84871595967&partnerID=8YFLogxK
U2 - 10.1103/PhysRevB.86.245414
DO - 10.1103/PhysRevB.86.245414
M3 - Article
AN - SCOPUS:84871595967
VL - 86
JO - Physical Review B - Condensed Matter and Materials Physics
JF - Physical Review B - Condensed Matter and Materials Physics
SN - 1098-0121
IS - 24
M1 - 245414
ER -