메뉴 건너뛰기




Volumn 389, Issue , 2016, Pages 594-600

Transition metal doped arsenene: A first-principles study

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CALCULATIONS; MAGNETIC STORAGE; MAGNETISM; SEMICONDUCTOR DOPING; VIRTUAL STORAGE;

EID: 84982836523     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2016.07.091     Document Type: Article
Times cited : (107)

References (64)
  • 5
    • 84898060562 scopus 로고    scopus 로고
    • Phosphorene: an unexplored 2D semiconductor with a high hole mobility
    • Liu, H., Neal, A.T., Zhu, Z., Luo, Z., Xu, X., Tománek, D., Ye, P.D., 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.5    Tománek, D.6    Ye, P.D.7
  • 7
    • 77955231284 scopus 로고    scopus 로고
    • Graphene transistors
    • Schwierz, F., Graphene transistors. Nat. Nanotechnol. 5 (2010), 487–496.
    • (2010) Nat. Nanotechnol. , vol.5 , pp. 487-496
    • Schwierz, F.1
  • 14
    • 84939865403 scopus 로고    scopus 로고
    • Structural design of graphene for use in electrochemical energy storage devices
    • Chen, K., Song, S., Liu, F., Xue, D., Structural design of graphene for use in electrochemical energy storage devices. Chem. Soc. Rev. 44 (2015), 6230–6257.
    • (2015) Chem. Soc. Rev. , vol.44 , pp. 6230-6257
    • Chen, K.1    Song, S.2    Liu, F.3    Xue, D.4
  • 15
    • 84924854984 scopus 로고    scopus 로고
    • The role of graphene for electrochemical energy storage
    • Raccichini, R., Varzi, A., Passerini, S., Scrosati, B., The role of graphene for electrochemical energy storage. Nat. Mater. 14 (2015), 271–279.
    • (2015) Nat. Mater. , vol.14 , pp. 271-279
    • Raccichini, R.1    Varzi, A.2    Passerini, S.3    Scrosati, B.4
  • 17
    • 84947024542 scopus 로고    scopus 로고
    • A phosphorene-graphene hybrid material as a high-capacity anode for sodium-ion batteries
    • Sun, J., Lee, H.-W., Pasta, M., Yuan, H., Zheng, G., Sun, Y., Li, Y., Cui, Y., A phosphorene-graphene hybrid material as a high-capacity anode for sodium-ion batteries. Nat. Nanotechnol. 10 (2015), 980–985.
    • (2015) Nat. Nanotechnol. , vol.10 , pp. 980-985
    • Sun, J.1    Lee, H.-W.2    Pasta, M.3    Yuan, H.4    Zheng, G.5    Sun, Y.6    Li, Y.7    Cui, Y.8
  • 18
    • 79952362065 scopus 로고    scopus 로고
    • Graphene-based nanomaterials for energy storage
    • Pumera, M., Graphene-based nanomaterials for energy storage. Energy Environ. Sci., 4, 2011, 668.
    • (2011) Energy Environ. Sci. , vol.4 , pp. 668
    • Pumera, M.1
  • 21
    • 84905728441 scopus 로고    scopus 로고
    • Phosphorene as a superior gas sensor: selective adsorption and distinct I-V response
    • Kou, L., Frauenheim, T., Chen, C., Phosphorene as a superior gas sensor: selective adsorption and distinct I-V response. J. Phys. Chem. Lett. 5 (2014), 2675–2681.
    • (2014) J. Phys. Chem. Lett. , vol.5 , pp. 2675-2681
    • Kou, L.1    Frauenheim, T.2    Chen, C.3
  • 22
    • 84930840257 scopus 로고    scopus 로고
    • Two-dimensional graphene analogues for biomedical applications
    • Chen, Y., Tan, C., Zhang, H., Wang, L., Two-dimensional graphene analogues for biomedical applications. Chem. Soc. Rev. 44 (2015), 2681–2701.
    • (2015) Chem. Soc. Rev. , vol.44 , pp. 2681-2701
    • Chen, Y.1    Tan, C.2    Zhang, H.3    Wang, L.4
  • 23
    • 84957890530 scopus 로고    scopus 로고
    • Graphene nanodevices for DNA sequencing
    • Heerema, S.J., Dekker, C., Graphene nanodevices for DNA sequencing. Nat. Nanotechnol. 11 (2016), 127–136.
    • (2016) Nat. Nanotechnol. , vol.11 , pp. 127-136
    • Heerema, S.J.1    Dekker, C.2
  • 26
    • 84923379311 scopus 로고    scopus 로고
    • Atomically thin arsenene and antimonene: semimetal-semiconductor and indirect-direct band‐gap transitions
    • Zhang, S., Yan, Z., Li, Y., Chen, Z., Zeng, H., Atomically thin arsenene and antimonene: semimetal-semiconductor and indirect-direct band‐gap transitions. Angew. Chem. Int. Edit. 127 (2015), 3155–3158.
    • (2015) Angew. Chem. Int. Edit. , vol.127 , pp. 3155-3158
    • Zhang, S.1    Yan, Z.2    Li, Y.3    Chen, Z.4    Zeng, H.5
  • 27
    • 84964672044 scopus 로고    scopus 로고
    • Semiconducting group 15 monolayers: a broad range of band gaps and high carrier mobilities
    • Zhang, S., Xie, M., Li, F., Yan, Z., Li, Y., Kan, E., Liu, W., Chen, Z., Zeng, H., Semiconducting group 15 monolayers: a broad range of band gaps and high carrier mobilities. Angew. Chem. Int. Edit. 128 (2016), 1698–1701.
    • (2016) Angew. Chem. Int. Edit. , vol.128 , pp. 1698-1701
    • Zhang, S.1    Xie, M.2    Li, F.3    Yan, Z.4    Li, Y.5    Kan, E.6    Liu, W.7    Chen, Z.8    Zeng, H.9
  • 30
    • 77955854646 scopus 로고    scopus 로고
    • Trapping of metal atoms in vacancies of carbon nanotubes and graphene
    • Rodríguez-Manzo, J.A., Cretu, O., Banhart, F., Trapping of metal atoms in vacancies of carbon nanotubes and graphene. ACS Nano 4 (2010), 3422–3428.
    • (2010) ACS Nano , vol.4 , pp. 3422-3428
    • Rodríguez-Manzo, J.A.1    Cretu, O.2    Banhart, F.3
  • 34
    • 64049105752 scopus 로고    scopus 로고
    • Embedding transition-metal atoms in graphene: structure, bonding, and magnetism
    • Krasheninnikov, A., Lehtinen, P., Foster, A., Pyykkö, P., Nieminen, R., Embedding transition-metal atoms in graphene: structure, bonding, and magnetism. Phys. Rev. Lett., 102, 2009, 126807.
    • (2009) Phys. Rev. Lett. , vol.102 , pp. 126807
    • Krasheninnikov, A.1    Lehtinen, P.2    Foster, A.3    Pyykkö, P.4    Nieminen, R.5
  • 35
    • 77952610519 scopus 로고    scopus 로고
    • First-principles study of substitutional metal impurities in graphene: structural, electronic and magnetic properties
    • Santos, E.J.G., Ayuela, A., Sánchez-Portal, D., First-principles study of substitutional metal impurities in graphene: structural, electronic and magnetic properties. New J. Phys., 12, 2010, 053012.
    • (2010) New J. Phys. , vol.12 , pp. 053012
    • Santos, E.J.G.1    Ayuela, A.2    Sánchez-Portal, D.3
  • 36
    • 77955149124 scopus 로고    scopus 로고
    • Magnetism of substitutional Co impurities in graphene: Realization of single π vacancies
    • Santos, E.J., Sánchez-Portal, D., Ayuela, A., Magnetism of substitutional Co impurities in graphene: Realization of single π vacancies. Phys. Rev. B, 81, 2010, 125433.
    • (2010) Phys. Rev. B , vol.81 , pp. 125433
    • Santos, E.J.1    Sánchez-Portal, D.2    Ayuela, A.3
  • 37
    • 84957587628 scopus 로고    scopus 로고
    • Electronic and magnetic behaviors of graphene with 5d series transition metal atom substitutions: A first-principles study
    • Sun, M., Tang, W., Ren, Q., Zhao, Y., Wang, S., Yu, J., Du, Y., Hao, Y., Electronic and magnetic behaviors of graphene with 5d series transition metal atom substitutions: A first-principles study. Phys. E Low-Dimens. Syst. Nanostruct. 80 (2016), 142–148.
    • (2016) Phys. E Low-Dimens. Syst. Nanostruct. , vol.80 , pp. 142-148
    • Sun, M.1    Tang, W.2    Ren, Q.3    Zhao, Y.4    Wang, S.5    Yu, J.6    Du, Y.7    Hao, Y.8
  • 38
    • 80051927989 scopus 로고    scopus 로고
    • First-principles study of magnetic properties in Mo-doped graphene
    • Kang, J., Deng, H.X., Li, S.S., Li, J., First-principles study of magnetic properties in Mo-doped graphene. J. Phys. Condens. Matter, 23, 2011, 346001.
    • (2011) J. Phys. Condens. Matter , vol.23 , pp. 346001
    • Kang, J.1    Deng, H.X.2    Li, S.S.3    Li, J.4
  • 39
    • 84887931842 scopus 로고    scopus 로고
    • First-principles study on ferromagnetism in W-doped graphene
    • Luan, H.-X., Zhang, C.-W., Li, S.-S., Zhang, R.-W., Wang, P.-J., First-principles study on ferromagnetism in W-doped graphene. RSC Adv., 3, 2013, 26261.
    • (2013) RSC Adv. , vol.3 , pp. 26261
    • Luan, H.-X.1    Zhang, C.-W.2    Li, S.-S.3    Zhang, R.-W.4    Wang, P.-J.5
  • 40
    • 84961163494 scopus 로고    scopus 로고
    • Magnetism in transition-metal-doped germanene: A first-principles study
    • Sun, M., Ren, Q., Wang, S., Zhang, Y., Du, Y., Yu, J., Tang, W., Magnetism in transition-metal-doped germanene: A first-principles study. Comp. Mater. Sci. 118 (2016), 112–116.
    • (2016) Comp. Mater. Sci. , vol.118 , pp. 112-116
    • Sun, M.1    Ren, Q.2    Wang, S.3    Zhang, Y.4    Du, Y.5    Yu, J.6    Tang, W.7
  • 42
    • 84877884855 scopus 로고    scopus 로고
    • 2 : an atomically thin dilute magnetic semiconductor
    • 2 : an atomically thin dilute magnetic semiconductor. Phys. Rev. B, 87, 2013, 195201.
    • (2013) Phys. Rev. B , vol.87 , pp. 195201
    • Ramasubramaniam, A.1    Naveh, D.2
  • 43
    • 84885721298 scopus 로고    scopus 로고
    • Long-range ferromagnetic ordering in manganese-doped two-dimensional dichalcogenides
    • Mishra, R., Zhou, W., Pennycook, S.J., Pantelides, S.T., Idrobo, J.-C., Long-range ferromagnetic ordering in manganese-doped two-dimensional dichalcogenides. Phys. Rev. B, 88, 2013, 144409.
    • (2013) Phys. Rev. B , vol.88 , pp. 144409
    • Mishra, R.1    Zhou, W.2    Pennycook, S.J.3    Pantelides, S.T.4    Idrobo, J.-C.5
  • 44
    • 84928888375 scopus 로고    scopus 로고
    • Transition metal doped phosphorene: first-principles study
    • Hashmi, A., Hong, J., Transition metal doped phosphorene: first-principles study. J. Phys. Chem. C 119 (2015), 9198–9204.
    • (2015) J. Phys. Chem. C , vol.119 , pp. 9198-9204
    • Hashmi, A.1    Hong, J.2
  • 45
    • 84966349964 scopus 로고    scopus 로고
    • Magnetism in transition metal-substituted germanane: A search for room temperature spintronic devices
    • Sun, M., Ren, Q., Zhao, Y., Wang, S., Yu, J., Tang, W., Magnetism in transition metal-substituted germanane: A search for room temperature spintronic devices. J. Appl. Phys., 119, 2016, 143904.
    • (2016) J. Appl. Phys. , vol.119 , pp. 143904
    • Sun, M.1    Ren, Q.2    Zhao, Y.3    Wang, S.4    Yu, J.5    Tang, W.6
  • 47
    • 12844286241 scopus 로고
    • Ab initio molecular dynamics for liquid metals
    • Kresse, G., Hafner, J., Ab initio molecular dynamics for liquid metals. Phys. Rev. B 47 (1993), 558–561.
    • (1993) Phys. Rev. B , vol.47 , pp. 558-561
    • Kresse, G.1    Hafner, J.2
  • 48
    • 0030190741 scopus 로고    scopus 로고
    • Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
    • Kresse, G., Furthmüller, J., Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. Comp. Mater. Sci. 6 (1996), 15–50.
    • (1996) Comp. Mater. Sci. , vol.6 , pp. 15-50
    • Kresse, G.1    Furthmüller, J.2
  • 49
    • 2442537377 scopus 로고    scopus 로고
    • Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
    • Kresse, G., Furthmüller, J., 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
  • 50
    • 4243943295 scopus 로고    scopus 로고
    • Generalized gradient approximation made simple
    • Perdew, J.P., Burke, K., Ernzerhof, M., 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
  • 51
    • 0011236321 scopus 로고    scopus 로고
    • From ultrasoft pseudopotentials to the projector augmented-wave method
    • Kresse, G., Joubert, D., From ultrasoft pseudopotentials to the projector augmented-wave method. Phys. Rev. B 59 (1999), 1758–1775.
    • (1999) Phys. Rev. B , vol.59 , pp. 1758-1775
    • Kresse, G.1    Joubert, D.2
  • 52
    • 1842816907 scopus 로고
    • Special points for Brillouin-zone integrations
    • Monkhorst, H.J., Pack, J.D., Special points for Brillouin-zone integrations. Phys. Rev. B, 13, 1976, 5188.
    • (1976) Phys. Rev. B , vol.13 , pp. 5188
    • Monkhorst, H.J.1    Pack, J.D.2
  • 53
    • 84947217408 scopus 로고    scopus 로고
    • Quantum spin hall insulators in strain-modified arsenene
    • Zhang, H., Ma, Y., Chen, Z., Quantum spin hall insulators in strain-modified arsenene. Nanoscale 7 (2015), 19152–19159.
    • (2015) Nanoscale , vol.7 , pp. 19152-19159
    • Zhang, H.1    Ma, Y.2    Chen, Z.3
  • 54
    • 84930941150 scopus 로고    scopus 로고
    • Electronic structure and carrier mobilities of arsenene and antimonene nanoribbons: a first-Principle study
    • Wang, Y., Ding, Y., Electronic structure and carrier mobilities of arsenene and antimonene nanoribbons: a first-Principle study. Nanoscale Res. Lett. 10 (2015), 1–10.
    • (2015) Nanoscale Res. Lett. , vol.10 , pp. 1-10
    • Wang, Y.1    Ding, Y.2
  • 55
    • 84923668533 scopus 로고    scopus 로고
    • Arsenene Two-dimensional buckled and puckered honeycomb arsenic systems
    • Kamal, C., Ezawa, M., Arsenene Two-dimensional buckled and puckered honeycomb arsenic systems. Phys. Rev. B, 91, 2015, 085423.
    • (2015) Phys. Rev. B , vol.91 , pp. 085423
    • Kamal, C.1    Ezawa, M.2
  • 56
    • 84957831489 scopus 로고    scopus 로고
    • Controllable band structure and topological phase transition in two-dimensional hydrogenated arsenene
    • Wang, Y., Ji, W., Zhang, C., Li, P., Li, F., Ren, M., Chen, X., Yuan, M., Wang, P., Controllable band structure and topological phase transition in two-dimensional hydrogenated arsenene. Sci. Rep., 6, 2016, 20342.
    • (2016) Sci. Rep. , vol.6 , pp. 20342
    • Wang, Y.1    Ji, W.2    Zhang, C.3    Li, P.4    Li, F.5    Ren, M.6    Chen, X.7    Yuan, M.8    Wang, P.9
  • 59
    • 84925939839 scopus 로고    scopus 로고
    • Structural and electronic properties of layered arsenic and antimony arsenide
    • Kou, L., Ma, Y., Tan, X., Frauenheim, T., Du, A., Smith, S., 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.1    Ma, Y.2    Tan, X.3    Frauenheim, T.4    Du, A.5    Smith, S.6
  • 60
    • 0003406742 scopus 로고    scopus 로고
    • Introduction to Solid State Physics
    • 7 ed. Wiley New York
    • Kittel, C., Introduction to Solid State Physics. 7 ed., 1996, Wiley, New York.
    • (1996)
    • Kittel, C.1
  • 62
    • 77956381034 scopus 로고    scopus 로고
    • Charge-injection induced magnetism and half metallicity in single-layer hexagonal group III/V (BN BP, AlN, AlP) systems
    • Wu, M., Zhang, Z., Zeng, X.C., Charge-injection induced magnetism and half metallicity in single-layer hexagonal group III/V (BN BP, AlN, AlP) systems. Appl. Phys. Lett., 97, 2010, 093109.
    • (2010) Appl. Phys. Lett. , vol.97 , pp. 093109
    • Wu, M.1    Zhang, Z.2    Zeng, X.C.3
  • 64
    • 82055197100 scopus 로고    scopus 로고
    • VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data
    • Momma, K., Izumi, F., VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data. J. Appl. Crystallogr. 44 (2011), 1272–1276.
    • (2011) J. Appl. Crystallogr. , vol.44 , pp. 1272-1276
    • Momma, K.1    Izumi, F.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.