Electronic structure of ultrathin single-walled platinum nanotubes

被引：0

作者：

Merinov, Valeriy B. ^{[1
,2
]}

Kulyamin, Pavel A. ^{[1
,2
]}

D'yachkov, Pavel N. ^{[2
]}

机构：

[1] Natl Res Nucl Univ MEPhI, Lab 2D Nanomat Elect Photon & Spintron, Kashirskoye Shosse 31, Moscow 115409, Russia

[2] Russian Acad Sci, NS Kurnakov Inst Gen & Inorgan Chem, Leninsky Prospekt 31, Moscow 119991, Russia

来源：

CHEMICAL PHYSICS LETTERS | 2024年 / 856卷

基金：

俄罗斯科学基金会;

关键词：

Platinum; Nanotubes; Modelling; Spin-orbit splitting; Electron-spin transport; BAND-STRUCTURES; TRANSPORT;

D O I：

10.1016/j.cplett.2024.141664

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Using Density Functional Theory based on the plane wave method and linearized augmented cylindrical wave method, and taking into account the spin-orbit interaction, the structural, electronic and spin properties of ultrathin single-walled nanotubes consisting of six platinum rows are obtained. The nanotubes are found to possess metallic electronic mobility, including the nonchiral Pt(6,0) with the largest number (15G0) of ballistic channels. Analysis of the density of electronic states at Fermi level revealed that the chiral Pt(5,1) has a difference in concentration of mobile electrons with opposite spins of 1.42 times, and up to 3-4 times under a weak torsional strain.

引用

页数：7

共 49 条

[1] LINEAR METHODS IN BAND THEORY
ANDERSEN, OK
[J]. PHYSICAL REVIEW B, 1975, 12 (08): : 3060 - 3083
[2] Control growth of uniform platinum nanotubes and their catalytic properties for methanol electrooxidation
Bi, Yingpu
Lu, Gongxuan
[J]. ELECTROCHEMISTRY COMMUNICATIONS, 2009, 11 (01) : 45 - 49
[3] GENERALIZED MANY-CHANNEL CONDUCTANCE FORMULA WITH APPLICATION TO SMALL RINGS
BUTTIKER, M
IMRY, Y
LANDAUER, R
PINHAS, S
[J]. PHYSICAL REVIEW B, 1985, 31 (10): : 6207 - 6215
[4] 4-TERMINAL PHASE-COHERENT CONDUCTANCE
BUTTIKER, M
[J]. PHYSICAL REVIEW LETTERS, 1986, 57 (14) : 1761 - 1764
[5] Aqueous synthesis of porous platinum nanotubes at room temperature and their intrinsic peroxidase-like activity
Cai, Kai
Lv, Zhicheng
Chen, Kun
Huang, Liang
Wang, Jing
Shao, Feng
Wang, Yanjun
Han, Heyou
[J]. CHEMICAL COMMUNICATIONS, 2013, 49 (54) : 6024 - 6026
[6] Spin Pumping in the Presence of Spin-Orbit Coupling
Chen, Kai
Zhang, Shufeng
[J]. PHYSICAL REVIEW LETTERS, 2015, 114 (12)
[7] ENERGY BANDS IN PBTE
CONKLIN, JB
JOHNSON, LE
PRATT, GW
[J]. PHYSICAL REVIEW, 1965, 137 (4A): : 1282 - &
[8] Account of helical and rotational symmetries in the linear augmented cylindrical wave method for calculating the electronic structure of nanotubes:: Towards the ab initio determination of the band structure of a (100,99) tubule
D'yachkov, P. N.
Makaev, D. V.
[J]. PHYSICAL REVIEW B, 2007, 76 (19)
[9] Electronic and transport properties of deformed platinum nanotubes calculated using relativistic linear augmented cylindrical wave method
D'yachkov, P. N.
Krasnov, D. O.
[J]. CHEMICAL PHYSICS LETTERS, 2019, 720 : 15 - 18
[10] D'yachkov P.N., 2019, Quantum chemistry of nanotubes: electronic cylindrical waves, P212, DOI DOI 10.1201/9780429486050

← 1 2 3 4 5 →