Recent publications from use of the CASTEP electronic structure code

A promising two-dimensional channel material: monolayer antimonide phosphorus

Cai, B; Xie, MQ; Zhang, SL; Huang, CX; Kan, EJ; Chen, XP; Gu, Y; Zeng, HB

SCIENCE CHINA-MATERIALS, Vol 59, Issue 8, Page 648-656 (2016).

Link to paper

Abstract

As the base of modern electronic industry, field-effect transistor (FET) requires the channel material to have both moderate bandgap and high mobility. The recent progresses indicate that few-layer black phosphorus has suitable bandgap and higher mobility than two-dimensional (2D) MoS2, but the experimentally achieved maximal mobility (1000 cm(2)V(-1) s(-1)) is still obviously lower than those of classical semiconductors (1,400 and 5,400 cm(2) V-1 s(-1) for Si and InP). Here, for the first time, we report on monolayer antimonide phosphorus (SbP) as a promising 2D channel material with suitable direct bandgap, which can satisfy the on/off ratio, and with mobility as high as 10(4) cm(2) V-1 s(-1) based on density functional theory calculation. In particular, alpha-Sb1-xPx monolayers possess 0.3-1.6 eV bandgaps when 0.1 <= x <= 1, which are greater than the minimum bandgap (0.4 eV) required for large on/off ratio of FET. Surprisingly, the carrier mobilities of alpha-Sb1-xPx monolayers exhibit very high upper limit approaching 2x10(4) cm(2) V-1 s(-1) when 0 = x = 0.25 due to the ultra-small effective mass of holes and electrons. This work reveals that 2D SbP with both suitable bandgap and high mobility could be a promising candidate as eco-friendly high-performance FET channel materials avoiding short-channel effect in the post-silicon era, especially when considering the recent experimental success in realizing arsenide phosphorus (AsP) with similar structure.

References

1.Akturk OU, 2016, PHYS REV B, V93, Link to paper

2.Akturk OU, 2015, PHYS REV B, V91, Link to paper

3.BARDEEN J, 1950, PHYS REV, V80, P72, Link to paper

4.Bruzzone S, 2011, APPL PHYS LETT, V99, Link to paper

5.Cai B, 2015, CHEMNANOMAT, V1, P542, Link to paper

6.Cai YQ, 2014, J AM CHEM SOC, V136, P6269, Link to paper

7.Clark SJ, 2005, Z KRISTALLOGR, V220, P567, Link to paper

8.Dai J, 2014, J PHYS CHEM LETT, V5, P1289, Link to paper

9.Das S, 2014, NANO LETT, V14, P5733, Link to paper

10.Fei RX, 2014, NANO LETT, V14, P2884, Link to paper

11.Fiori G, 2007, IEEE ELECTR DEVICE L, V28, P760, Link to paper

12.Geim AK, 2007, NAT MATER, V6, P183, Link to paper

13.Guan J, 2014, ACS NANO, V8, P12763, Link to paper

14.Guan J, 2014, PHYS REV LETT, V113, Link to paper

15.Han XY, 2014, NANO LETT, V14, P4607, Link to paper

16.Heyd J, 2003, J CHEM PHYS, V118, P8207, Link to paper

17.Hwang EH, 2008, PHYS REV B, V77, Link to paper

18.Jones JE, 1924, P R SOC LOND A-CONTA, V106, P463, Link to paper

19.Kim JS, 2015, SCI REP-UK, V5, Link to paper

20.Kresse G, 1996, PHYS REV B, V54, P11169, Link to paper

21.Li DL, 2016, SCI CHINA CHEM, V59, P122, Link to paper

22.Li LK, 2014, NAT NANOTECHNOL, V9, P372, Link to paper

23.Li YF, 2012, J AM CHEM SOC, V134, P11269, Link to paper

24.Li YF, 2009, ACS NANO, V3, P1952, Link to paper

25.Liang LB, 2014, NANO LETT, V14, P6400, Link to paper

26.Liu BL, 2015, ADV MATER, V27, P4423, Link to paper

27.Liu H, 2014, ACS NANO, V8, P4033, Link to paper

28.Liu H, 2012, ACS NANO, V6, P8563, Link to paper

29.Luo W, 2015, NANO LETT, V15, P3230, Link to paper

30.Ma YD, 2015, NANO LETT, V15, P1083, Link to paper

31.Mak KF, 2010, PHYS REV LETT, V105, Link to paper

32.Novoselov KS, 2005, NATURE, V438, P197, Link to paper

33.Ong ZY, 2014, J APPL PHYS, V116, Link to paper

34.Perdew JP, 1996, PHYS REV LETT, V77, P3865, Link to paper

35.Qiao JS, 2014, NAT COMMUN, V5, Link to paper

36.Radisavljevic B, 2011, NAT NANOTECHNOL, V6, P147, Link to paper

37.Schmidt H, 2014, NANO LETT, V14, P1909, Link to paper

38.Schwierz F, 2010, NAT NANOTECHNOL, V5, P487, Link to paper

39.Tan JY, 2016, SCI CHINA MATH, V59, P191, Link to paper

40.Tang Q, 2013, PROG MATER SCI, V58, P1244, Link to paper

41.Tang Q, 2013, NANOSCALE, V5, P4541, Link to paper

42.Velizhanin KA, 2014, PHYS REV B, V90, Link to paper

43.Wang G, 2015, ACS APPL MATER INTER, V7, P11490, Link to paper

44.Wang GX, 2015, NANOSCALE, V7, P524, Link to paper

45.Wang H, 2014, NANO LETT, V14, P6424, Link to paper

46.Wu MH, 2015, NANO LETT, V15, P3557, Link to paper

47.Xi JY, 2012, NANOSCALE, V4, P4348, Link to paper

48.Yoon Y, 2011, NANO LETT, V11, P3768, Link to paper

49.Zhang SL, 2016, ANGEW CHEM INT EDIT, V55, P1666, Link to paper

50.Zhang XY, 2016, SCI CHINA MATER, V59, P475, Link to paper

51.Zhao T, 2015, J PHYS-CONDENS MAT, V27, Link to paper

52.Zhu Z, 2015, NANO LETT, V15, P6042, Link to paper

53.Ziletti A, 2015, PHYS REV LETT, V114, Link to paper