Abstract
Using first-principles calculations, we investigated the geometric structure, binding energy, and magnetic behavior of monolayer germanane substitutional doped with transition metals. Our work demonstrates that germanane with single vacancy forms strong bonds with all studied impurity atoms. Magnetism is observed for Ti, V, Cr, Mn, Fe, and Ni doping. Doping of Ti and Mn atoms results in half-metallic properties, while doping of Cr results in dilute magnetic semiconducting state. We estimate a Curie temperature of about 735 K for Mn-substituted system in the mean-field approximation at impurity concentration 5.56%. Furthermore, when increasing the impurity concentration to 12.5%, Curie temperatures of Ti and Mn-substituted systems are 290 and 1120 K, respectively. Our studies demonstrate the potential of Ti and Mn-substituted germanane for room temperature spintronic devices.
Authors
6
- Minglei Sun (first)
- Qingqiang Ren (additional)
- Yiming Zhao (additional)
- Sake Wang (additional)
- Jin Yu (additional)
- Wencheng Tang (additional)
References
76
Referenced
54
10.1126/science.1102896
/ Science (2004)10.1073/pnas.0502848102
/ Proc. Natl. Acad. Sci. U.S.A. (2005)10.1016/j.progsurf.2014.12.003
/ Prog. Surf. Sci. (2015)10.1103/PhysRevLett.102.236804
/ Phys. Rev. Lett. (2009)10.1021/nn501226z
/ ACS Nano (2014)10.1002/adma.201304985
/ Adv. Mater. (2014)10.1038/nnano.2010.89
/ Nat. Nanotechnol. (2010)10.1126/science.1184289
/ Science (2010)10.1038/nnano.2014.325
/ Nat. Nanotechnol. (2015)10.1038/nphoton.2010.186
/ Nat. Photonics (2010)10.1021/nn300989g
/ ACS Nano (2012)10.1126/science.1246501
/ Science (2015)10.1039/C4TA04368E
/ J. Mater. Chem. A (2014)10.1038/nmat1967
/ Nat. Mater. (2007)10.1039/c3cp55250k
/ Phys. Chem. Chem. Phys. (2014)10.1039/C4CP03292F
/ Phys. Chem. Chem. Phys. (2014)10.1021/jz501188k
/ J. Phys. Chem. Lett. (2014)10.1021/tx200339h
/ Chem. Res. Toxicol. (2012)10.1021/nl100996u
/ Nano Lett. (2010)10.1088/0957-4484/26/15/154002
/ Nanotechnology (2015)10.1103/PhysRevLett.93.187202
/ Phys. Rev. Lett. (2004)10.1103/PhysRevLett.104.096804
/ Phys. Rev. Lett. (2010)10.1063/1.3318261
/ J. Appl. Phys. (2010)10.1039/c2cp40527j
/ Phys. Chem. Chem. Phys. (2012)10.1039/C4CP01211A
/ Phys. Chem. Chem. Phys. (2014)10.1021/jp5129468
/ J. Phys. Chem. C (2015)10.1103/PhysRevLett.102.126807
/ Phys. Rev. Lett. (2009)10.1088/1367-2630/12/5/053012
/ New J. Phys. (2010)10.1021/jp511574n
/ J. Phys. Chem. C (2015)10.1103/PhysRevB.87.195201
/ Phys. Rev. B (2013)10.1103/PhysRevB.87.100401
/ Phys. Rev. B (2013)10.1021/nn102598m
/ ACS Nano (2011)10.1021/nn4009406
/ ACS Nano (2013)10.1109/TED.2014.2344914
/ IEEE Trans. Electron Devices (2014)10.1109/TED.2014.2313065
/ IEEE Trans. Electron Devices (2014)-
W. Yu, Z. Zhu, C.-Y. Niu, C. Li, J.-H. Cho, and Y. Jia, “Dilute magnetic semiconductor and half metal behaviors in 3d transition-metal doped black and blue phosphorenes: A first-principles study,” preprint arXiv:1504.01592 (2015).
(
10.1186/s11671-016-1296-x
) 10.1002/1616-3028(200102)11:1<69::AID-ADFM69>3.0.CO;2-D
/ Adv. Funct. Mater. (2001)10.1021/acs.nanolett.5b02315
/ Nano Lett. (2015)10.1021/nl304495v
/ Nano Lett. (2013)10.1021/nl500682j
/ Nano Lett. (2014)10.1021/nl301952e
/ Nano Lett. (2012)10.1021/nn100356q
/ ACS Nano (2010)10.1021/nl2031629
/ Nano Lett. (2012)10.1021/nn505048y
/ ACS Nano (2015)10.1021/nl900463u
/ Nano Lett. (2009)10.1126/science.281.5379.951
/ Science (1998)10.1063/1.1512822
/ Appl. Phys. Lett. (2002)10.1103/PhysRevLett.95.037201
/ Phys. Rev. Lett. (2005)10.1103/PhysRevB.74.125204
/ Phys. Rev. B (2006)10.1088/0268-1242/19/10/R01
/ Semicond. Sci. Technol. (2004)10.1103/PhysRevB.75.125210
/ Phys. Rev. B (2007)10.1126/science.287.5455.1019
/ Science (2000)10.1088/0268-1242/17/4/309
/ Semicond. Sci. Technol. (2002)10.1103/PhysRevB.47.558
/ Phys. Rev. B (1993)10.1016/0927-0256(96)00008-0
/ Comput. Mater. Sci. (1996)10.1103/PhysRevB.54.11169
/ Phys. Rev. B (1996)10.1103/PhysRevLett.77.3865
/ Phys. Rev. Lett. (1996)10.1103/PhysRevB.59.1758
/ Phys. Rev. B (1999)10.1103/PhysRevB.13.5188
/ Phys. Rev. B (1976)10.1088/0953-8984/26/33/335302
/ J. Phys.: Condens. Matter (2014)10.1209/0295-5075/98/37004
/ Europhys. Lett. (2012)10.1039/c3cp51078f
/ Phys. Chem. Chem. Phys. (2013)10.1016/j.carbon.2010.06.056
/ Carbon (2010)10.1021/ja3040416
/ J. Am. Soc. Chem. (2012)10.1039/C5TC00013K
/ J. Mater. Chem. C (2015)10.1103/RevModPhys.82.1633
/ Rev. Mod. Phys. (2010)10.1088/1367-2630/12/6/063020
/ New J. Phys. (2010)10.1088/0953-8984/23/34/346001
/ J. Phys.: Condens. Matter (2011)10.1039/c3ra44672g
/ RSC Adv. (2013)10.1103/PhysRevB.91.155138
/ Phys. Rev. B (2015)10.1103/PhysRev.82.403
/ Phys. Rev. (1951)10.1103/PhysRev.100.675
/ Phys. Rev. (1955)10.1103/PhysRev.118.141
/ Phys. Rev. (1960)10.1103/PhysRevLett.81.3002
/ Phys. Rev. Lett. (1998)10.1088/0022-3727/47/5/055303
/ J. Phys. D: Appl. Phys. (2014)10.1107/S0021889811038970
/ J. Appl. Crystallogr. (2011)
Dates
Type | When |
---|---|
Created | 9 years, 4 months ago (April 11, 2016, 1:52 p.m.) |
Deposited | 2 years, 2 months ago (June 25, 2023, 12:20 a.m.) |
Indexed | 2 days, 2 hours ago (Aug. 31, 2025, 6:25 a.m.) |
Issued | 9 years, 4 months ago (April 11, 2016) |
Published | 9 years, 4 months ago (April 11, 2016) |
Published Online | 9 years, 4 months ago (April 11, 2016) |
Published Print | 9 years, 4 months ago (April 14, 2016) |
@article{Sun_2016, title={Magnetism in transition metal-substituted germanane: A search for room temperature spintronic devices}, volume={119}, ISSN={1089-7550}, url={http://dx.doi.org/10.1063/1.4945771}, DOI={10.1063/1.4945771}, number={14}, journal={Journal of Applied Physics}, publisher={AIP Publishing}, author={Sun, Minglei and Ren, Qingqiang and Zhao, Yiming and Wang, Sake and Yu, Jin and Tang, Wencheng}, year={2016}, month=apr }