Strain-Tunable Electronic and Transport Properties of One- Dimensional Fibrous Phosphorus Nanotubes

被引：1

作者：

Chu, Feihong ^{[1
,2
]}

Zhou, Wencai ^{[1
,2
]}

Zhou, Rongkun ^{[1
,2
]}

Li, Songyu ^{[1
,2
]}

Liu, Danmin ^{[1
,2
]}

Zheng, Zilong ^{[1
,2
]}

Li, Jingzhen ^{[3
]}

Zhang, Yongzhe ^{[3
]}

机构：

[1] Beijing Univ Technol, Fac Mat & Mfg, Key Lab Adv Funct Mat, Beijing 100124, Peoples R China

[2] Beijing Univ Technol, Inst Microstruct & Property Adv Mat, Fac Mat & Mfg, Beijing 100124, Peoples R China

[3] Beijing Univ Technol, Fac Informat Technol, Key Lab Optoelect Technol, Minist Educ, Beijing 100124, Peoples R China

来源：

JOURNAL OF PHYSICAL CHEMISTRY LETTERS | 2022年 / 13卷 / 46期

基金：

北京市自然科学基金; 中国国家自然科学基金;

关键词：

WALLED CARBON NANOTUBES; RAMAN-SPECTROSCOPY; CARRIER MOBILITY; ANISOTROPY; GROWTH; TRANSISTORS; NANOWIRES; PROSPECTS;

D O I：

10.1021/acs.jpclett.2c02854

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：

The one-dimensional van der Waals (1D vdW) material fibrous red phosphorus (FRP) nanotubes are a promising direct-bandgap semiconductor with high carrier mobility and anisotropic optical responses because of low deformation potential and dangling-bond-free anisotropic interface. Employing first-principles calculations, we captured the potential of 1D FRP nanotubes. The thermal stability of 1D FRP nanotubes was confirmed by phonon calculation. Meanwhile, Raman spectroscopy indicated the strong vibration mode (366 cm-1) is along the phosphorus nanotube. Interestingly, spatial anisotropy bandgaps were found along with various stacking orientations. The charge transport calculations showed that the 1D FRP nanotube has a high hole mobility (499.2 cm2 V-1 s-1), considering the weak acoustic phonon scattering. More importantly, we found that the hole mobility changes dramatically (down to 7.1 cm2 V-1 s-1) under the strain, and the strain-dependent charge transport property of 1D FRP nanotubes could be considered to have many potential applications for electronics, optoelectronics, and switching devices.

引用

页码：10778 / 10785

页数：8

共 73 条

[11] One-Dimensional van der Waals Material Tellurium: Raman Spectroscopy under Strain and Magneto-Transport [J].

Du, Yuchen ;

Qiu, Gang ;

Wang, Yixiu ;

Si, Mengwei ;

Xu, Xianfan ;

Wu, Wenzhuo ;

Ye, Peide D. .

NANO LETTERS, 2017, 17 (06) :3965-3973

[12] Synthesis and Phase Relations of Single-Phase Fibrous Phosphorus [J].

Eckstein, Nadine ;

Hohmann, Andrea ;

Weihrich, Richard ;

Nilges, Tom ;

Schmidt, Peer .

ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 2013, 639 (15) :2741-2743

[13] Location of the valence band maximum in the band structure of anisotropic 1T′-ReSe2 [J].

Eickholt, P. ;

Noky, J. ;

Schwier, E. F. ;

Shimada, K. ;

Miyamoto, K. ;

Okuda, T. ;

Datzer, C. ;

Drueppel, M. ;

Krueger, P. ;

Rohlfing, M. ;

Donath, M. .

PHYSICAL REVIEW B, 2018, 97 (16)

[14] Predicting Band Gaps with Hybrid Density Functionals [J].

Garza, Alejandro J. ;

Scuseria, Gustavo E. .

JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2016, 7 (20) :4165-4170

[15] Van der Waals heterostructures [J].

Geim, A. K. ;

Grigorieva, I. V. .

NATURE, 2013, 499 (7459) :419-425

[16] Dynamical matrices, born effective charges, dielectric permittivity tensors, and interatomic force constants from density-functional perturbation theory [J].

Gonze, X ;

Lee, C .

PHYSICAL REVIEW B, 1997, 55 (16) :10355-10368

[17] Effect of the Damping Function in Dispersion Corrected Density Functional Theory [J].

Grimme, Stefan ;

Ehrlich, Stephan ;

Goerigk, Lars .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 2011, 32 (07) :1456-1465

[18] A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu [J].

Grimme, Stefan ;

Antony, Jens ;

Ehrlich, Stephan ;

Krieg, Helge .

JOURNAL OF CHEMICAL PHYSICS, 2010, 132 (15)

[19]

Heyd J, 2006, J CHEM PHYS, V124, DOI [10.1063/1.2204597, 10.1063/1.1564060]

[20] Modern microprocessor built from complementary carbon nanotube transistors [J].

Hills, Gage ;

Lau, Christian ;

Wright, Andrew ;

Fuller, Samuel ;

Bishop, Mindy D. ;

Srimani, Tathagata ;

Kanhaiya, Pritpal ;

Ho, Rebecca ;

Amer, Aya ;

Stein, Yosi ;

Murphy, Denis ;

Arvind ;

Chandrakasan, Anantha ;

Shulaker, Max M. .

NATURE, 2019, 572 (7771) :595-+

← 1 2 3 4 5 6 7 8 →