GeP3: A Small Indirect Band Gap 2D Crystal with High Carrier Mobility and Strong Interlayer Quantum Confinement

被引：387

作者：

Jing, Yu ^{[1
,3
]}

Ma, Yandong ^{[1
]}

Li, Yafei ^{[2
]}

Heine, Thomas ^{[1
,3
]}

机构：

[1] Univ Leipzig, Wilhelm Ostwald Inst Phys & Theoret Chem, Linnestr 2, D-04103 Leipzig, Germany

[2] Nanjing Normal Univ, Coll Chem & Mat Sci, Jiangsu Key Lab Biofunct Mat, Nanjing 210023, Jiangsu, Peoples R China

[3] Jacobs Univ Bremen, Dept Phys & Earth Sci, Campus Ring 1, D-28759 Bremen, Germany

来源：

NANO LETTERS | 2017年 / 17卷 / 03期

关键词：

2D crystals; germanium phosphide; electronic properties; density functional theory; low band gap; phosphorene; black phosphorus; blue phosphorus; BLACK PHOSPHORUS; LAYER; MONOLAYER; GRAPHENE; SEMICONDUCTOR; EXFOLIATION; ELECTRIDE; SILICENE; DYNAMICS; CARBON;

D O I：

10.1021/acs.nanolett.6b05143

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

We propose a two-dimensional crystal that possesses low indirect band gaps of 0.55 eV (monolayer) and 0.43 eV (bilayer) and high carrier mobilities similar to those of phosphorene, GeP3. GeP3 has a stable three-dimensional layered bulk counterpart, which is metallic and known from experiment since 1970. GeP3 monolayer has a calculated cleavage energy of 1.14 J m(-2), which suggests exfoliation of bulk material as viable means for the preparation of mono- and few-layer materials. The material shows strong interlayer quantum confinement effects, resulting in a band gap reduction from mono- to bilayer, and then to a semiconductor-metal transition between bi- and triple layer. Under biaxial strain, the indirect band gap can be turned into a direct one. Pronounced light absorption in the spectral range from similar to 600 to 1400 nm is predicted for monolayer and bilayer and promises applications in photovoltaics.

引用

页码：1833 / 1838

页数：6

共 52 条

[1] Honeycomb Carbon: A Review of Graphene [J].

Allen, Matthew J. ;

Tung, Vincent C. ;

Kaner, Richard B. .

CHEMICAL REVIEWS, 2010, 110 (01) :132-145

[2] DEFORMATION POTENTIALS AND MOBILITIES IN NON-POLAR CRYSTALS [J].

BARDEEN, J ;

SHOCKLEY, W .

PHYSICAL REVIEW, 1950, 80 (01) :72-80

[3] PROJECTOR AUGMENTED-WAVE METHOD [J].

BLOCHL, PE .

PHYSICAL REVIEW B, 1994, 50 (24) :17953-17979

[4] Two- and One-Dimensional Honeycomb Structures of Silicon and Germanium [J].

Cahangirov, S. ;

Topsakal, M. ;

Akturk, E. ;

Sahin, H. ;

Ciraci, S. .

PHYSICAL REVIEW LETTERS, 2009, 102 (23)

[5] Polarity-Reversed Robust Carrier Mobility in Monolayer MoS2 Nanoribbons [J].

Cai, Yongqing ;

Zhang, Gang ;

Zhang, Yong-Wei .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2014, 136 (17) :6269-6275

[6] Germanene: a novel two-dimensional germanium allotrope akin to graphene and silicene [J].

Davila, M. E. ;

Xian, L. ;

Cahangirov, S. ;

Rubio, A. ;

Le Lay, G. .

NEW JOURNAL OF PHYSICS, 2014, 16

[7] Continuous Germanene Layer on A(111) [J].

Derivaz, Mickael ;

Dentel, Didier ;

Stephan, Regis ;

Hanf, Marie-Christine ;

Mehdaoui, Ahmed ;

Sonnet, Philippe ;

Pirri, Carmelo .

NANO LETTERS, 2015, 15 (04) :2510-2516

[8]

Donohue P.C., 1970, J. Solid State Chem, V1, P143, DOI DOI 10.1016/0022-4596(70)90005-8

[9] Experimental Demonstration of an Electride as a 2D Material [J].

Druffel, Daniel L. ;

Kuntz, Kaci L. ;

Woomer, Adam H. ;

Alcorn, Francis M. ;

Hu, Jun ;

Donley, Carrie L. ;

Warren, Scott C. .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2016, 138 (49) :16089-16094

[10] Experimental Evidence for Epitaxial Silicene on Diboride Thin Films [J].

Fleurence, Antoine ;

Friedlein, Rainer ;

Ozaki, Taisuke ;

Kawai, Hiroyuki ;

Wang, Ying ;

Yamada-Takamura, Yukiko .

PHYSICAL REVIEW LETTERS, 2012, 108 (24)

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