메뉴 건너뛰기




Volumn 378, Issue , 2016, Pages 350-356

First-principles studies on substitutional doping by group IV and VI atoms in the two-dimensional arsenene

Author keywords

Arsenene; Electronic structures; First principle methods

Indexed keywords

ATOMS; ELECTRONIC STRUCTURE; IMPURITIES; MAGNETIC MOMENTS;

EID: 84962921670     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2016.03.055     Document Type: Article
Times cited : (36)

References (33)
  • 4
    • 84869192373 scopus 로고    scopus 로고
    • Thermally driven crossover from indirect toward Direct bandgap in 2D semiconductors: MoSe2 versus MoS2
    • S. Tongay, J. Zhou, C. Ataca, K. Lo, T.S. Matthews, J. Li, J.C. Grossman, and J. Wu Thermally driven crossover from indirect toward Direct bandgap in 2D semiconductors: moSe2 versus MoS2 Nano Lett. 12 2012 5576 5580
    • (2012) Nano Lett. , vol.12 , pp. 5576-5580
    • Tongay, S.1    Zhou, J.2    Ataca, C.3    Lo, K.4    Matthews, T.S.5    Li, J.6    Grossman, J.C.7    Wu, J.8
  • 5
    • 84869074729 scopus 로고    scopus 로고
    • Electronics and optoelectronics of two-dimensional transition metal dichalcogenides
    • Q.H. Wang, K.K. Zadeh, A. Kis, J.N. Coleman, and M.S. Strano Electronics and optoelectronics of two-dimensional transition metal dichalcogenides Nat. Nanotechnol. 7 2012 699 712
    • (2012) Nat. Nanotechnol. , vol.7 , pp. 699-712
    • Wang, Q.H.1    Zadeh, K.K.2    Kis, A.3    Coleman, J.N.4    Strano, M.S.5
  • 7
    • 84872333981 scopus 로고    scopus 로고
    • Band offsets and heterostructures of two-dimensional semiconductors
    • J. Kang, S. Tongay, J. Zhou, J.B. Li, and J.Q. Wu Band offsets and heterostructures of two-dimensional semiconductors Appl. Phys. Lett. 102 2013 012111
    • (2013) Appl. Phys. Lett. , vol.102
    • Kang, J.1    Tongay, S.2    Zhou, J.3    Li, J.B.4    Wu, J.Q.5
  • 12
    • 84904616293 scopus 로고    scopus 로고
    • High-mobility transport anisotropy and linear dichroism in few-layer black phosphorus
    • J.S. Qiao, X.H. Kong, Z.X. Hu, F. Yang, and W. Ji High-mobility transport anisotropy and linear dichroism in few-layer black phosphorus Nat. Commun. 5 2014 4475
    • (2014) Nat. Commun. , vol.5 , pp. 4475
    • Qiao, J.S.1    Kong, X.H.2    Hu, Z.X.3    Yang, F.4    Ji, W.5
  • 14
    • 84898060562 scopus 로고    scopus 로고
    • Phosphorene An unexplored 2D semiconductor with a high hole mobility
    • H. Liu, A.T. Neal, Z. Zhu, Z. Luo, X.F. Xu, D. Tomanek, and P.D. Ye Phosphorene An unexplored 2D semiconductor with a high hole mobility ACS Nano 8 2014 4033 4041
    • (2014) ACS Nano , vol.8 , pp. 4033-4041
    • Liu, H.1    Neal, A.T.2    Zhu, Z.3    Luo, Z.4    Xu, X.F.5    Tomanek, D.6    Ye, P.D.7
  • 15
    • 0004211783 scopus 로고    scopus 로고
    • Chemistry of arsenic
    • Blackie Academic London
    • N.C. Norman Chemistry of arsenic Antimony and Bismuth 1998 Blackie Academic London
    • (1998) Antimony and Bismuth
    • Norman, N.C.1
  • 16
    • 84925939839 scopus 로고    scopus 로고
    • Structural and electronic properties of layered arsenic and antimony arsenide
    • L.Z. Kou, Y.D. Ma, X. Tan, T. Frauenheim, A.J. Du, and S. Smith Structural and electronic properties of layered arsenic and antimony arsenide J. Phys. Chem. C 119 2015 6918 6922
    • (2015) J. Phys. Chem. C , vol.119 , pp. 6918-6922
    • Kou, L.Z.1    Ma, Y.D.2    Tan, X.3    Frauenheim, T.4    Du, A.J.5    Smith, S.6
  • 17
    • 84947436342 scopus 로고    scopus 로고
    • Atomically thin arsenene and antimonene: Semimetal-semiconductor and indirect-direct band-gap transitions
    • S.L. Zhang, Z. Yan, Y.F. Li, Z.F. Chen, and H.B. Zeng Atomically thin arsenene and antimonene: semimetal-semiconductor and indirect-direct band-gap transitions Angew. Chem. 127 2015 3155 3158
    • (2015) Angew. Chem. , vol.127 , pp. 3155-3158
    • Zhang, S.L.1    Yan, Z.2    Li, Y.F.3    Chen, Z.F.4    Zeng, H.B.5
  • 18
    • 84930941150 scopus 로고    scopus 로고
    • Electronic structure and carrier mobilities of arsenene and antimonene nanoribbons: A first-principle study
    • Y.L. Wang, and Y. Ding Electronic structure and carrier mobilities of arsenene and antimonene nanoribbons: a first-principle study Nanoscale Res. Lett. 10 2015 254
    • (2015) Nanoscale Res. Lett. , vol.10 , pp. 254
    • Wang, Y.L.1    Ding, Y.2
  • 19
    • 84929190364 scopus 로고    scopus 로고
    • Strain-induced metal-semiconductor transition in monolayers and bilayers of gray arsenic: A computational study
    • Z. Zhu, J. Guan, and D. Tománek Strain-induced metal-semiconductor transition in monolayers and bilayers of gray arsenic: a computational study Phys. Rev. B 91 2015 161404
    • (2015) Phys. Rev. B , vol.91
    • Zhu, Z.1    Guan, J.2    Tománek, D.3
  • 21
    • 84930965919 scopus 로고    scopus 로고
    • Orientation and strain modulated electronic structures in puckered arsenene nanoribbons
    • Z.Y. Zhang, H.N. Cao, J.C. Zhang, Y.H. Wang, D.S. Xue, and M.S. Si Orientation and strain modulated electronic structures in puckered arsenene nanoribbons AIP Adv. 5 2015 067117
    • (2015) AIP Adv. , vol.5
    • Zhang, Z.Y.1    Cao, H.N.2    Zhang, J.C.3    Wang, Y.H.4    Xue, D.S.5    Si, M.S.6
  • 22
    • 84923668533 scopus 로고    scopus 로고
    • Arsenene: Two-dimensional buckled and puckered honeycomb arsenic systems
    • C. Kamal, and M. Ezawa Arsenene: two-dimensional buckled and puckered honeycomb arsenic systems Phys. Rev. B 91 2015 085423
    • (2015) Phys. Rev. B , vol.91
    • Kamal, C.1    Ezawa, M.2
  • 23
    • 27744460065 scopus 로고
    • Ab initio molecular-dynamics simulation of the liquid-metal-amorphous- semiconductor transition in germanium
    • G. Kresse, and J. Hafner Ab initio molecular-dynamics simulation of the liquid-metal-amorphous- semiconductor transition in germanium Phys. Rev. B 49 1994 14251 14269
    • (1994) Phys. Rev. B , vol.49 , pp. 14251-14269
    • Kresse, G.1    Hafner, J.2
  • 24
    • 2442537377 scopus 로고    scopus 로고
    • Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
    • G. Kresse, and J. Furthmüller Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Phys. Rev. B 54 1996 11169 11186
    • (1996) Phys. Rev. B , vol.54 , pp. 11169-11186
    • Kresse, G.1    Furthmüller, J.2
  • 25
    • 4243943295 scopus 로고    scopus 로고
    • Generalized gradient approximation made simple
    • J.P. Perdew, K. Burke, and M. Ernzerhof Generalized gradient approximation made simple Phys. Rev. Lett. 77 1996 3865 3868
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3865-3868
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 26
    • 25744460922 scopus 로고
    • Projector augmented-wave method
    • P.E. Blöchl Projector augmented-wave method Phys. Rev. B 50 1994 17953 17979
    • (1994) Phys. Rev. B , vol.50 , pp. 17953-17979
    • Blöchl, P.E.1
  • 27
    • 1842816907 scopus 로고
    • Special points for Brillouin-zone integrations
    • H.J. Monkhorst, and J.D. Pack Special points for Brillouin-zone integrations Phys. Rev. B 13 1976 5188 5192
    • (1976) Phys. Rev. B , vol.13 , pp. 5188-5192
    • Monkhorst, H.J.1    Pack, J.D.2
  • 28
    • 84929467768 scopus 로고    scopus 로고
    • Manifestation of unexpected semiconducting properties in few-layer orthorhombic arsenene
    • Z.Y. Zhang, J.F. Xie, D.Z. Yang, Y.H. Wang, M.S. Si, and D.S. Xue Manifestation of unexpected semiconducting properties in few-layer orthorhombic arsenene Appl. Phys. Express 8 2015 055201
    • (2015) Appl. Phys. Express , vol.8
    • Zhang, Z.Y.1    Xie, J.F.2    Yang, D.Z.3    Wang, Y.H.4    Si, M.S.5    Xue, D.S.6
  • 29
    • 84940652328 scopus 로고    scopus 로고
    • Electronic properties of monolayer and bilayer arsenene under in-plain biaxial strains
    • H.W. Cao, Z.Y. Yu, and P.F. Lu Electronic properties of monolayer and bilayer arsenene under in-plain biaxial strains Superlattices Microstruct. 86 2015 501 507
    • (2015) Superlattices Microstruct. , vol.86 , pp. 501-507
    • Cao, H.W.1    Yu, Z.Y.2    Lu, P.F.3
  • 30
    • 84930936021 scopus 로고    scopus 로고
    • Electronic structures and magnetic properties in nonmetallic element substituted MoS2 monolayer
    • A.M. Hu, L.L. Wang, W.Z. Xiao, G. Xiao, and Q.Y. Rong Electronic structures and magnetic properties in nonmetallic element substituted MoS2 monolayer Comp. Mater. Sci. 107 2015 72 78
    • (2015) Comp. Mater. Sci. , vol.107 , pp. 72-78
    • Hu, A.M.1    Wang, L.L.2    Xiao, W.Z.3    Xiao, G.4    Rong, Q.Y.5
  • 31
    • 84884380410 scopus 로고    scopus 로고
    • Possible doping strategies for MoS2 monolayers: An ab initio study
    • K. Dolui, I. Rungger, C.D. Pemmaraju, and S. Sanvito Possible doping strategies for MoS2 monolayers: an ab initio study Phys. Rev. B 88 2013 075420
    • (2013) Phys. Rev. B , vol.88
    • Dolui, K.1    Rungger, I.2    Pemmaraju, C.D.3    Sanvito, S.4
  • 32
    • 84935026503 scopus 로고    scopus 로고
    • A first-principles study on the magnetic properties of nonmetal atom doped phosphorene monolayers
    • H.L. Zheng, J.M. Zhang, B.S. Yang, X.B. Du, and Y. Yan A first-principles study on the magnetic properties of nonmetal atom doped phosphorene monolayers Phys. Chem. Chem. Phys. 17 2015 16341 16350
    • (2015) Phys. Chem. Chem. Phys. , vol.17 , pp. 16341-16350
    • Zheng, H.L.1    Zhang, J.M.2    Yang, B.S.3    Du, X.B.4    Yan, Y.5
  • 33
    • 2342456342 scopus 로고    scopus 로고
    • First-principles calculations for defects and impurities: Applications to III-nitrides
    • C.G. Van de Walle, and J. Neugebauer First-principles calculations for defects and impurities: applications to III-nitrides J. Appl. Phys. 95 2004 3851 3879
    • (2004) J. Appl. Phys. , vol.95 , pp. 3851-3879
    • Van De Walle, C.G.1    Neugebauer, J.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.