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.
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页数：7
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