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Physical Review Letters

Volumn 111, Issue 13, 2013, Pages

Conducting boron sheets formed by the reconstruction of the α-boron (111) surface

(4) Amsler, Maximilian a Botti, Silvana b Marques, Miguel A L b Goedecker, Stefan a

a UNIVERSITY OF BASEL (Switzerland)

b UNIVERSITÉ LYON 1 (France)

Author keywords

[No Author keywords available]

Indexed keywords

2D STRUCTURES; AB INITIO STRUCTURE PREDICTIONS; CONDUCTIVE SURFACES; HOLE DENSITIES; IN-VACUUM; STRUCTURAL AND ELECTRONIC PROPERTIES;

BORON; CALCULATIONS; ELECTRONIC PROPERTIES; FORECASTING;

SURFACE RECONSTRUCTION;

EID: 84884790657 PISSN: 00319007 EISSN: 10797114 Source Type: Journal
DOI: 10.1103/PhysRevLett.111.136101 Document Type: Article

Times cited : (40)

References (70)

1
- 70350580511
- ACIEF5 1433-7851 10.1002/anie.200903246
- B. Albert and H. Hillebrecht, Angew. Chem., Int. Ed. 48, 8640 (2009). ACIEF5 1433-7851 10.1002/anie.200903246
- (2009) Angew. Chem., Int. Ed. , vol.48 , pp. 8640
- Albert, B.¹ Hillebrecht, H.²

2
- 60149096355
- NATUAS 0028-0836 10.1038/nature07736
- A. R. Oganov, J. Chen, C. Gatti, Y. Ma, Y. Ma, C. W. Glass, Z. Liu, T. Yu, O. O. Kurakevych, and V. L. Solozhenko, Nature (London) 457, 863 (2009). NATUAS 0028-0836 10.1038/nature07736
- (2009) Nature (London) , vol.457 , pp. 863
- Oganov, A.R.¹ Chen, J.² Gatti, C.³ Ma, Y.⁴ Ma, Y.⁵ Glass, C.W.⁶ Liu, Z.⁷ Yu, T.⁸ Kurakevych, O.O.⁹ Solozhenko, V.L.¹⁰

3
- 79960633557
- PRLTAO 0031-9007 10.1103/PhysRevLett.106.215502
- S. Mondal, S. van Smaalen, A. Schönleber, Y. Filinchuk, D. Chernyshov, S. I. Simak, A. S. Mikhaylushkin, I. A. Abrikosov, E. Zarechnaya, L. Dubrovinsky, and N. Dubrovinskaia, Phys. Rev. Lett. 106, 215502 (2011). PRLTAO 0031-9007 10.1103/PhysRevLett.106.215502
- (2011) Phys. Rev. Lett. , vol.106 , pp. 215502
- Mondal, S.¹ Van Smaalen, S.² Schönleber, A.³ Filinchuk, Y.⁴ Chernyshov, D.⁵ Simak, S.I.⁶ Mikhaylushkin, A.S.⁷ Abrikosov, I.A.⁸ Zarechnaya, E.⁹ Dubrovinsky, L.¹⁰ Dubrovinskaia, N.¹¹

4
- 0642319203
- JACSAT 0002-7863 10.1021/ja01543a066
- L. V. McCarty, J. S. Kasper, F. H. Horn, B. F. Decker, and A. E. Newkirk, J. Am. Chem. Soc. 80, 2592 (1958). JACSAT 0002-7863 10.1021/ja01543a066
- (1958) J. Am. Chem. Soc. , vol.80 , pp. 2592
- McCarty, L.V.¹ Kasper, J.S.² Horn, F.H.³ Decker, B.F.⁴ Newkirk, A.E.⁵

5
- 33947464694
- JACSAT 0002-7863 10.1021/ja01577a072
- D. E. Sands and J. L. Hoard, J. Am. Chem. Soc. 79, 5582 (1957). JACSAT 0002-7863 10.1021/ja01577a072
- (1957) J. Am. Chem. Soc. , vol.79 , pp. 5582
- Sands, D.E.¹ Hoard, J.L.²

6
- 33947485074
- JACSAT 0002-7863 10.1021/ja00886a036
- R. E. Hughes, C. H. L. Kennard, D. B. Sullenger, H. A. Weakliem, D. E. Sands, and J. L. Hoard, J. Am. Chem. Soc. 85, 361 (1963). JACSAT 0002-7863 10.1021/ja00886a036
- (1963) J. Am. Chem. Soc. , vol.85 , pp. 361
- Hughes, R.E.¹ Kennard, C.H.L.² Sullenger, D.B.³ Weakliem, H.A.⁴ Sands, D.E.⁵ Hoard, J.L.⁶

7
- 33947447124
- JACSAT 0002-7863 10.1021/ja01250a036
- A. W. Laubengayer, D. T. Hurd, A. E. Newkirk, and J. L. Hoard, J. Am. Chem. Soc. 65, 1924 (1943). JACSAT 0002-7863 10.1021/ja01250a036
- (1943) J. Am. Chem. Soc. , vol.65 , pp. 1924
- Laubengayer, A.W.¹ Hurd, D.T.² Newkirk, A.E.³ Hoard, J.L.⁴

8
- 0001392611
- JACSAT 0002-7863 10.1021/ja01148a555
- J. L. Hoard, J. Am. Chem. Soc. 73, 1892 (1951). JACSAT 0002-7863 10.1021/ja01148a555
- (1951) J. Am. Chem. Soc. , vol.73 , pp. 1892
- Hoard, J.L.¹

9
- 0000277564
- JACSAT 0002-7863 10.1021/ja01550a019
- J. L. Hoard, R. E. Hughes, and D. E. Sands, J. Am. Chem. Soc. 80, 4507 (1958). JACSAT 0002-7863 10.1021/ja01550a019
- (1958) J. Am. Chem. Soc. , vol.80 , pp. 4507
- Hoard, J.L.¹ Hughes, R.E.² Sands, D.E.³

10
- 4243364096
- ACCRA9 0365-110X 10.1107/S0365110X60000613
- C. P. Talley, S. La Placa, and B. Post, Acta Crystallogr. 13, 271 (1960). ACCRA9 0365-110X 10.1107/S0365110X60000613
- (1960) Acta Crystallogr. , vol.13 , pp. 271
- Talley, C.P.¹ La Placa, S.² Post, B.³

11
- 33749471435
- 10.1016/0022-5088(79)90067-5
- M. Vlasse, R. Naslain, J. Kasper, and K. Ploog, J. Less Common Metals 67, 1 (1979). 10.1016/0022-5088(79)90067-5
- (1979) J. Less Common Metals , vol.67 , pp. 1
- Vlasse, M.¹ Naslain, R.² Kasper, J.³ Ploog, K.⁴

12
- 0031231972
- EULEEJ 0295-5075 10.1209/epl/i1997-00388-9
- I. Boustani and A. Quandt, Europhys. Lett. 39, 527 (1997). EULEEJ 0295-5075 10.1209/epl/i1997-00388-9
- (1997) Europhys. Lett. , vol.39 , pp. 527
- Boustani, I.¹ Quandt, A.²

13
- 0001283173
- INOCAJ 0020-1669 10.1021/ic980559o
- A. Gindulyt, W. N. Lipscomb, and L. Massa, Inorg. Chem. 37, 6544 (1998). INOCAJ 0020-1669 10.1021/ic980559o
- (1998) Inorg. Chem. , vol.37 , pp. 6544
- Gindulyt, A.¹ Lipscomb, W.N.² Massa, L.³

14
- 0000762959
- JCPSA6 0021-9606 10.1063/1.477976
- I. Boustani, A. Quandt, E. Hernndez, and A. Rubio, J. Chem. Phys. 110, 3176 (1999). JCPSA6 0021-9606 10.1063/1.477976
- (1999) J. Chem. Phys. , vol.110 , pp. 3176
- Boustani, I.¹ Quandt, A.² Hernndez, E.³ Rubio, A.⁴

15
- 1842714292
- JPCBFK 1520-6106 10.1021/jp049301b
- D. Ciuparu, R. F. Klie, Y. Zhu, and L. Pfefferle, J. Phys. Chem. B 108, 3967 (2004). JPCBFK 1520-6106 10.1021/jp049301b
- (2004) J. Phys. Chem. B , vol.108 , pp. 3967
- Ciuparu, D.¹ Klie, R.F.² Zhu, Y.³ Pfefferle, L.⁴

16
- 77649207449
- JMACEP 0959-9428 10.1039/b919260c
- F. Liu, C. Shen, Z. Su, X. Ding, S. Deng, J. Chen, N. Xu, and H. Gao, J. Mater. Chem. 20, 2197 (2010). JMACEP 0959-9428 10.1039/b919260c
- (2010) J. Mater. Chem. , vol.20 , pp. 2197
- Liu, F.¹ Shen, C.² Su, Z.³ Ding, X.⁴ Deng, S.⁵ Chen, J.⁶ Xu, N.⁷ Gao, H.⁸

17
- 0035900504
- Well-aligned boron nanowire arrays
- DOI 10.1002/1521-4095(200111)13:22<1701::AID-ADMA1701>3.0.CO;2-Q
- L. M. Cao, Z. Zhang, L. L. Sun, C. X. Gao, M. He, Y. Q. Wang, Y. C. Li, X. Y. Zhang, G. Li, J. Zhang, and W. K. Wang, Adv. Mater. 13, 1701 (2001). ADVMEW 0935-9648 10.1002/1521-4095(200111)13:22<1701::AID-ADMA1701>3.0. CO;2-Q (Pubitemid 33093041)
- (2001) Advanced Materials , vol.13 , Issue.22
- Cao, L.M.¹ Zhang, Z.² Sun, L.L.³ Gao, C.X.⁴ He, M.⁵ Wang, Y.Q.⁶ Li, Y.C.⁷ Zhang, X.Y.⁸ Li, G.⁹ Zhang, J.¹⁰ Wang, W.K.¹¹

18
- 0036570502
- Crystalline boron nanowires
- DOI 10.1021/ja017817s
- C. J. Otten, O. R. Lourie, M.-F. Yu, J. M. Cowley, M. J. Dyer, R. S. Ruoff, and W. E. Buhro, J. Am. Chem. Soc. 124, 4564 (2002). JACSAT 0002-7863 10.1021/ja017817s (Pubitemid 34467013)
- (2002) Journal of the American Chemical Society , vol.124 , Issue.17 , pp. 4564-4565
- Otten, C.J.¹ Lourie, O.R.² Yu, M.-F.³ Cowley, J.M.⁴ Dyer, M.J.⁵ Ruoff, R.S.⁶ Buhro, W.E.⁷

19
- 52949087156
- APPLAB 0003-6951 10.1063/1.2976668
- J. Tian, J. Cai, C. Hui, C. Zhang, L. Bao, M. Gao, C. Shen, and H. Gao, Appl. Phys. Lett. 93, 122105 (2008). APPLAB 0003-6951 10.1063/1.2976668
- (2008) Appl. Phys. Lett. , vol.93 , pp. 122105
- Tian, J.¹ Cai, J.² Hui, C.³ Zhang, C.⁴ Bao, L.⁵ Gao, M.⁶ Shen, C.⁷ Gao, H.⁸

20
- 54949103989
- ADVMEW 0935-9648 10.1002/adma.200800137
- F. Liu, J. Tian, L. Bao, T. Yang, C. Shen, X. Lai, Z. Xiao, W. Xie, S. Deng, J. Chen, J. She, N. Xu, and H. Gao, Adv. Mater. 20, 2609 (2008). ADVMEW 0935-9648 10.1002/adma.200800137
- (2008) Adv. Mater. , vol.20 , pp. 2609
- Liu, F.¹ Tian, J.² Bao, L.³ Yang, T.⁴ Shen, C.⁵ Lai, X.⁶ Xiao, Z.⁷ Xie, W.⁸ Deng, S.⁹ Chen, J.¹⁰ She, J.¹¹ Xu, N.¹² Gao, H.¹³

21
- 61349116121
- APPLAB 0003-6951 10.1063/1.3080211
- J. Tian, C. Hui, L. Bao, C. Li, Y. Tian, H. Ding, C. Shen, and H.-j. Gao, Appl. Phys. Lett. 94, 083101 (2009). APPLAB 0003-6951 10.1063/1.3080211
- (2009) Appl. Phys. Lett. , vol.94 , pp. 083101
- Tian, J.¹ Hui, C.² Bao, L.³ Li, C.⁴ Tian, Y.⁵ Ding, H.⁶ Shen, C.⁷ Gao, H.-J.⁸

22
- 70849101213
- JAUCA3 0004-881X
- D. Zhu and E. Kisi, J. Australian Ceram. Soc. 45, 49 (2009). JAUCA3 0004-881X
- (2009) J. Australian Ceram. Soc. , vol.45 , pp. 49
- Zhu, D.¹ Kisi, E.²

23
- 0037462467
- Catalyst-free fabrication of single crystalline boron nanobelts by laser ablation
- DOI 10.1016/S0009-2614(02)01964-4, PII S0009261402019644
- Z. Wang, Y. Shimizu, T. Sasaki, K. Kawaguchi, K. Kimura, and N. Koshizaki, Chem. Phys. Lett. 368, 663 (2003). CHPLBC 0009-2614 10.1016/S0009-2614(02)01964-4 (Pubitemid 36136252)
- (2003) Chemical Physics Letters , vol.368 , Issue.5-6 , pp. 663-667
- Wang, Z.¹ Shimizu, Y.² Sasaki, T.³ Kawaguchi, K.⁴ Kimura, K.⁵ Koshizaki, N.⁶

24
- 2642574001
- Crystalline boron nanoribbons: Synthesis and characterization
- DOI 10.1021/nl0498785
- T. T. Xu, J.-G. Zheng, N. Wu, A. W. Nicholls, J. R. Roth, D. A. Dikin, and R. S. Ruoff, Nano Lett. 4, 963 (2004). NALEFD 1530-6984 10.1021/nl0498785 (Pubitemid 38716359)
- (2004) Nano Letters , vol.4 , Issue.5 , pp. 963-968
- Xu, T.T.¹ Zheng, J.-G.² Wu, N.³ Nicholls, A.W.⁴ Roth, J.R.⁵ Dikin, D.A.⁶ Ruoff, R.S.⁷

25
- 27144544948
- Boron nanotubes
- DOI 10.1002/cphc.200500205
- A. Quandt and I. Boustani, ChemPhysChem 6, 2001 (2005). CPCHFT 1439-4235 10.1002/cphc.200500205 (Pubitemid 41503687)
- (2005) ChemPhysChem , vol.6 , Issue.10 , pp. 2001-2008
- Quandt, A.¹ Boustani, I.²

26
- 33947387102
- An approach to control the radius and the chirality of nanotubes
- DOI 10.1088/0957-4484/18/15/155703, PII S0957448407403245
- J. Kunstmann, A. Quandt, and I. Boustani, Nanotechnology 18, 155703 (2007). NNOTER 0957-4484 10.1088/0957-4484/18/15/155703 (Pubitemid 46450862)
- (2007) Nanotechnology , vol.18 , Issue.15 , pp. 155703
- Kunstmann, J.¹ Quandt, A.² Boustani, I.³

27
- 34548792831
- Novel precursors for boron nanotubes: The competition of two-center and three-center bonding in boron sheets
- DOI 10.1103/PhysRevLett.99.115501
- H. Tang and S. Ismail-Beigi, Phys. Rev. Lett. 99, 115501 (2007). PRLTAO 0031-9007 10.1103/PhysRevLett.99.115501 (Pubitemid 47438163)
- (2007) Physical Review Letters , vol.99 , Issue.11 , pp. 115501
- Tang, H.¹ Ismail-Beigi, S.²

28
- 77957716215
- PRBMDO 1098-0121 10.1103/PhysRevB.82.115412
- H. Tang and S. Ismail-Beigi, Phys. Rev. B 82, 115412 (2010). PRBMDO 1098-0121 10.1103/PhysRevB.82.115412
- (2010) Phys. Rev. B , vol.82 , pp. 115412
- Tang, H.¹ Ismail-Beigi, S.²

29
- 84866724316
- JPCCCK 1932-7447 10.1021/jp305545z 075
- X. Yu, L. Li, X.-W. Xu, and C.-C. Tang, J. Phys. Chem. C 116, 20 075 (2012). JPCCCK 1932-7447 10.1021/jp305545z
- (2012) J. Phys. Chem. C , vol.116 , pp. 20
- Yu, X.¹ Li, L.² Xu, X.-W.³ Tang, C.-C.⁴

30
- 84865603261
- ANCAC3 1936-0851 10.1021/nn302696v
- X. Wu, J. Dai, Y. Zhao, Z. Zhuo, J. Yang, and X. C. Zeng, ACS Nano 6, 7443 (2012). ANCAC3 1936-0851 10.1021/nn302696v
- (2012) ACS Nano , vol.6 , pp. 7443
- Wu, X.¹ Dai, J.² Zhao, Y.³ Zhuo, Z.⁴ Yang, J.⁵ Zeng, X.C.⁶

31
- 84872729085
- JCPSA6 0021-9606 10.1063/1.4774082
- H. Lu, Y. Mu, H. Bai, Q. Chen, and S.-D. Li, J. Chem. Phys. 138, 024701 (2013). JCPSA6 0021-9606 10.1063/1.4774082
- (2013) J. Chem. Phys. , vol.138 , pp. 024701
- Lu, H.¹ Mu, Y.² Bai, H.³ Chen, Q.⁴ Li, S.-D.⁵

32
- 84874864884
- ACIEF5 1433-7851 10.1002/anie.201207972
- Y. Liu, E. S. Penev, and B. I. Yakobson, Angew. Chem., Int. Ed. 52, 3156 (2013). ACIEF5 1433-7851 10.1002/anie.201207972
- (2013) Angew. Chem., Int. Ed. , vol.52 , pp. 3156
- Liu, Y.¹ Penev, E.S.² Yakobson, B.I.³

33
- 22844441135
- The planar-to-tubular structural transition in boron clusters from optical absorption
- DOI 10.1063/1.1948386, 014310
- M. A. L. Marques and S. Botti, J. Chem. Phys. 123, 014310 (2005). JCPSA6 0021-9606 10.1063/1.1948386 (Pubitemid 41037052)
- (2005) Journal of Chemical Physics , vol.123 , Issue.1 , pp. 1-5
- Marques, M.A.L.¹ Botti, S.²

34
- 34247377245
- B80 fullerene: An ab initio prediction of geometry, stability, and electronic structure
- DOI 10.1103/PhysRevLett.98.166804
- N. Gonzalez Szwacki, A. Sadrzadeh, and B. I. Yakobson, Phys. Rev. Lett. 98, 166804 (2007). PRLTAO 0031-9007 10.1103/PhysRevLett.98.166804 (Pubitemid 46633678)
- (2007) Physical Review Letters , vol.98 , Issue.16 , pp. 166804
- Gonzalez Szwacki, N.¹ Sadrzadeh, A.² Yakobson, B.I.³

35
- 66749135281
- PPCPFQ 1463-9076 10.1039/b902278c
- S. Botti, A. Castro, N. N. Lathiotakis, X. Andrade, and M. A. L. Marques, Phys. Chem. Chem. Phys. 11, 4523 (2009). PPCPFQ 1463-9076 10.1039/b902278c
- (2009) Phys. Chem. Chem. Phys. , vol.11 , pp. 4523
- Botti, S.¹ Castro, A.² Lathiotakis, N.N.³ Andrade, X.⁴ Marques, M.A.L.⁵

36
- 77949469926
- JPCCCK 1932-7447 10.1021/jp911641u
- C. Ozdogan, S. Mukhopadhyay, W. Hayami, Z. B. Guvenc, R. Pandey, and I. Boustani, J. Phys. Chem. C 114, 4362 (2010). JPCCCK 1932-7447 10.1021/jp911641u
- (2010) J. Phys. Chem. C , vol.114 , pp. 4362
- Ozdogan, C.¹ Mukhopadhyay, S.² Hayami, W.³ Guvenc, Z.B.⁴ Pandey, R.⁵ Boustani, I.⁶

37
- 79960239470
- 1549-9618 10.1021/ct200050q
- K. D. Quarles, C. B. Kah, R. N. Gunasinghe, R. N. Musin, and X.-Q. Wang, J. Chem. Theory Comput. 7, 2017 (2011). 1549-9618 10.1021/ct200050q
- (2011) J. Chem. Theory Comput. , vol.7 , pp. 2017
- Quarles, K.D.¹ Kah, C.B.² Gunasinghe, R.N.³ Musin, R.N.⁴ Wang, X.-Q.⁵

38
- 79961007538
- PRBMDO 1098-0121 10.1103/PhysRevB.83.081403
- P. Pochet, L. Genovese, S. De, S. Goedecker, D. Caliste, S. A. Ghasemi, K. Bao, and T. Deutsch, Phys. Rev. B 83, 081403 (2011). PRBMDO 1098-0121 10.1103/PhysRevB.83.081403
- (2011) Phys. Rev. B , vol.83 , pp. 081403
- Pochet, P.¹ Genovese, L.² De, S.³ Goedecker, S.⁴ Caliste, D.⁵ Ghasemi, S.A.⁶ Bao, K.⁷ Deutsch, T.⁸

39
- 84861079949
- JCPSA6 0021-9606 10.1063/1.3682776
- F. Li, P. Jin, D.-e. Jiang, L. Wang, S. B. Zhang, J. Zhao, and Z. Chen, J. Chem. Phys. 136, 074302 (2012). JCPSA6 0021-9606 10.1063/1.3682776
- (2012) J. Chem. Phys. , vol.136 , pp. 074302
- Li, F.¹ Jin, P.² Jiang, D.-E.³ Wang, L.⁴ Zhang, S.B.⁵ Zhao, J.⁶ Chen, Z.⁷

40
- 1542743726
- NATUAS 0028-0836 10.1038/318162a0
- H. W. Kroto, J. R. Heath, S. C. O'Brien, R. F. Curl, and R. E. Smalley, Nature (London) 318, 162 (1985). NATUAS 0028-0836 10.1038/318162a0
- (1985) Nature (London) , vol.318 , pp. 162
- Kroto, H.W.¹ Heath, J.R.² O'Brien, S.C.³ Curl, R.F.⁴ Smalley, R.E.⁵

41
- 0009536573
- JMTSAS 0022-2461 10.1007/BF00542823
- J. Vega-Boggio, J.-Å. Schweitz, and O. Vingsbo, J. Mater. Sci. 12, 1692 (1977). JMTSAS 0022-2461 10.1007/BF00542823
- (1977) J. Mater. Sci. , vol.12 , pp. 1692
- Vega-Boggio, J.¹ Schweitz, J.-Å.² Vingsbo, O.³

42
- 33847638247
- JMTSAS 0022-2461 10.1007/BF00566258
- J. Vega-Boggio and J.-Å. Schweitz, J. Mater. Sci. 12, 1923 (1977). JMTSAS 0022-2461 10.1007/BF00566258
- (1977) J. Mater. Sci. , vol.12 , pp. 1923
- Vega-Boggio, J.¹ Schweitz, J.-Å.²

43
- 34547544518
- Surface energy and growth mechanism of β-tetragonal boron crystal
- DOI 10.1021/jp072594z
- W. Hayami and S. Otani, J. Phys. Chem. C 111, 10 394 (2007). JPCCCK 1932-7447 10.1021/jp072594z (Pubitemid 47184451)
- (2007) Journal of Physical Chemistry C , vol.111 , Issue.28 , pp. 10394-10397
- Hayami, W.¹ Otani, S.²

44
- 33847643702
- The role of surface energy in the growth of boron crystals
- DOI 10.1021/jp065680s
- W. Hayami and S. Otani, J. Phys. Chem. C 111, 688 (2007). JPCCCK 1932-7447 10.1021/jp065680s (Pubitemid 46353135)
- (2007) Journal of Physical Chemistry C , vol.111 , Issue.2 , pp. 688-692
- Hayami, W.¹ Otani, S.²

45
- 84891581004
- Wiley-VCH, New York
- A. R. Oganov, Modern Methods of Crystal Structure Prediction (Wiley-VCH, New York, 2010).
- (2010) Modern Methods of Crystal Structure Prediction
- Oganov, A.R.¹

46
- 2942692078
- JCPSA6 0021-9606 10.1063/1.1724816
- S. Goedecker, J. Chem. Phys. 120, 9911 (2004). JCPSA6 0021-9606 10.1063/1.1724816
- (2004) J. Chem. Phys. , vol.120 , pp. 9911
- Goedecker, S.¹

47
- 78650407021
- JCPSA6 0021-9606 10.1063/1.3512900
- M. Amsler and S. Goedecker, J. Chem. Phys. 133, 224104 (2010). JCPSA6 0021-9606 10.1063/1.3512900
- (2010) J. Chem. Phys. , vol.133 , pp. 224104
- Amsler, M.¹ Goedecker, S.²

48
- 84856752603
- PRLTAO 0031-9007 10.1103/PhysRevLett.108.065501
- M. Amsler, J. A. Flores-Livas, L. Lehtovaara, F. Balima, S. A. Ghasemi, D. Machon, S. Pailhès, A. Willand, D. Caliste, S. Botti, A. San Miguel, S. Goedecker, and M. A. L. Marques, Phys. Rev. Lett. 108, 065501 (2012). PRLTAO 0031-9007 10.1103/PhysRevLett.108.065501
- (2012) Phys. Rev. Lett. , vol.108 , pp. 065501
- Amsler, M.¹ Flores-Livas, J.A.² Lehtovaara, L.³ Balima, F.⁴ Ghasemi, S.A.⁵ Machon, D.⁶ Pailhès, S.⁷ Willand, A.⁸ Caliste, D.⁹ Botti, S.¹⁰ San Miguel, A.¹¹ Goedecker, S.¹² Marques, M.A.L.¹³

49
- 84858221363
- PRLTAO 0031-9007 10.1103/PhysRevLett.108.117004
- J. A. Flores-Livas, M. Amsler, T. J. Lenosky, L. Lehtovaara, S. Botti, M. A. L. Marques, and S. Goedecker, Phys. Rev. Lett. 108, 117004 (2012). PRLTAO 0031-9007 10.1103/PhysRevLett.108.117004
- (2012) Phys. Rev. Lett. , vol.108 , pp. 117004
- Flores-Livas, J.A.¹ Amsler, M.² Lenosky, T.J.³ Lehtovaara, L.⁴ Botti, S.⁵ Marques, M.A.L.⁶ Goedecker, S.⁷

50
- 84861618559
- PRLTAO 0031-9007 10.1103/PhysRevLett.108.205505
- M. Amsler, J. A. Flores-Livas, T. D. Huan, S. Botti, M. A. L. Marques, and S. Goedecker, Phys. Rev. Lett. 108, 205505 (2012). PRLTAO 0031-9007 10.1103/PhysRevLett.108.205505
- (2012) Phys. Rev. Lett. , vol.108 , pp. 205505
- Amsler, M.¹ Flores-Livas, J.A.² Huan, T.D.³ Botti, S.⁴ Marques, M.A.L.⁵ Goedecker, S.⁶

51
- 45249113961
- PRLTAO 0031-9007 10.1103/PhysRevLett.100.236106
- S. A. Ghasemi, S. Goedecker, A. Baratoff, T. Lenosky, E. Meyer, and H. J. Hug, Phys. Rev. Lett. 100, 236106 (2008). PRLTAO 0031-9007 10.1103/PhysRevLett. 100.236106
- (2008) Phys. Rev. Lett. , vol.100 , pp. 236106
- Ghasemi, S.A.¹ Goedecker, S.² Baratoff, A.³ Lenosky, T.⁴ Meyer, E.⁵ Hug, H.J.⁶

52
- 70349664412
- NNOTER 0957-4484 10.1088/0957-4484/20/44/445301
- M. Amsler, S. A. Ghasemi, S. Goedecker, A. Neelov, and L. Genovese, Nanotechnology 20, 445301 (2009). NNOTER 0957-4484 10.1088/0957-4484/20/44/ 445301
- (2009) Nanotechnology , vol.20 , pp. 445301
- Amsler, M.¹ Ghasemi, S.A.² Goedecker, S.³ Neelov, A.⁴ Genovese, L.⁵

53
- 34447127776
- DFTB+, a sparse matrix-based implementation of the DFTB method
- DOI 10.1021/jp070186p
- B. Aradi, B. Hourahine, and T. Frauenheim, J. Phys. Chem. A 111, 5678 (2007). JPCAFH 1089-5639 10.1021/jp070186p (Pubitemid 47166771)
- (2007) Journal of Physical Chemistry A , vol.111 , Issue.26 , pp. 5678-5684
- Aradi, B.¹ Hourahine, B.² Frauenheim, Th.³

54
- 0030190741
- Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
- DOI 10.1016/0927-0256(96)00008-0, PII S0927025696000080
- G. Kresse and J. Furthmüller, Comput. Mater. Sci. 6, 15 (1996); CMMSEM 0927-0256 10.1016/0927-0256(96)00008-0 (Pubitemid 126412269)
- (1996) Computational Materials Science , vol.6 , Issue.1 , pp. 15-50
- Kresse, G.¹ Furthmuller, J.²

55
- 12844286241
- PRBMDO 0163-1829 10.1103/PhysRevB.47.558
- G. Kresse and J. Hafner, Phys. Rev. B 47, 558 (1993); PRBMDO 0163-1829 10.1103/PhysRevB.47.558
- (1993) Phys. Rev. B , vol.47 , pp. 558
- Kresse, G.¹ Hafner, J.²

56
- 2442537377
- PRBMDO 0163-1829 10.1103/PhysRevB.54.11169 169
- G. Kresse and J. Furthmüller, Phys. Rev. B 54, 11 169 (1996); PRBMDO 0163-1829 10.1103/PhysRevB.54.11169
- (1996) Phys. Rev. B , vol.54 , pp. 11
- Kresse, G.¹ Furthmüller, J.²

57
- 0011236321
- PRBMDO 0163-1829 10.1103/PhysRevB.59.1758
- G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999). PRBMDO 0163-1829 10.1103/PhysRevB.59.1758
- (1999) Phys. Rev. B , vol.59 , pp. 1758
- Kresse, G.¹ Joubert, D.²

58
- 4243943295
- PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865
- J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996). PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865
- (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
- Perdew, J.P.¹ Burke, K.² Ernzerhof, M.³

59
- 67649933583
- PRBMDO 1098-0121 10.1103/PhysRevB.79.245401
- C. R. Hsing, C. M. Wei, N. D. Drummond, and R. J. Needs, Phys. Rev. B 79, 245401 (2009). PRBMDO 1098-0121 10.1103/PhysRevB.79.245401
- (2009) Phys. Rev. B , vol.79 , pp. 245401
- Hsing, C.R.¹ Wei, C.M.² Drummond, N.D.³ Needs, R.J.⁴

60
- 41849095114
- Restoring the density-gradient expansion for exchange in solids and surfaces
- DOI 10.1103/PhysRevLett.100.136406
- J. P. Perdew, A. Ruzsinszky, G. I. Csonka, O. A. Vydrov, G. E. Scuseria, L. A. Constantin, X. Zhou, and K. Burke, Phys. Rev. Lett. 100, 136406 (2008). PRLTAO 0031-9007 10.1103/PhysRevLett.100.136406 (Pubitemid 351503187)
- (2008) Physical Review Letters , vol.100 , Issue.13 , pp. 136406
- Perdew, J.P.¹ Ruzsinszky, A.² Csonka, G.I.³ Vydrov, O.A.⁴ Scuseria, G.E.⁵ Constantin, L.A.⁶ Zhou, X.⁷ Burke, K.⁸

61
- 0037799714
- JCPSA6 0021-9606 10.1063/1.1564060
- J. Heyd, G. E. Scuseria, and M. Ernzerhof, J. Chem. Phys. 118, 8207 (2003). JCPSA6 0021-9606 10.1063/1.1564060
- (2003) J. Chem. Phys. , vol.118 , pp. 8207
- Heyd, J.¹ Scuseria, G.E.² Ernzerhof, M.³

62
- 33845870954
- JCPSA6 0021-9606 10.1063/1.2403866
- J. Paier, M. Marsman, K. Hummer, G. Kresse, I. C. Gerber, and J. G. Ángyán, J. Chem. Phys. 125, 249901 (2006). JCPSA6 0021-9606 10.1063/1.2403866
- (2006) J. Chem. Phys. , vol.125 , pp. 249901
- Paier, J.¹ Marsman, M.² Hummer, K.³ Kresse, G.⁴ Gerber, I.C.⁵ Ángyán, J.G.⁶

63
- 34547139312
- Erratum: Hybrid functionals based on a screened Coulomb potential (Journal of Chemical Physics (2003) 118 (8207))
- DOI 10.1063/1.2204597
- J. Heyd, G. E. Scuseria, and M. Ernzerhof, J. Chem. Phys. 124, 219906 (2006). JCPSA6 0021-9606 10.1063/1.2204597 (Pubitemid 43877849)
- (2006) Journal of Chemical Physics , vol.124 , Issue.21 , pp. 219906
- Heyd, J.¹ Scuseria, G.E.² Ernzerhof, M.³

64
- 4243553426
- PLRAAN 0556-2791 10.1103/PhysRevA.38.3098
- A. D. Becke, Phys. Rev. A 38, 3098 (1988). PLRAAN 0556-2791 10.1103/PhysRevA.38.3098
- (1988) Phys. Rev. A , vol.38 , pp. 3098
- Becke, A.D.¹

65
- 0345491105
- PRBMDO 0163-1829 10.1103/PhysRevB.37.785
- C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1988). PRBMDO 0163-1829 10.1103/PhysRevB.37.785
- (1988) Phys. Rev. B , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

66
- 20144367100
- A brief introduction to the ABINIT software package
- DOI 10.1524/zkri.220.5.558.65066
- X. Gonze, G.-M. Rignanese, M. Verstraete, J.-M. Beuken, Y. Pouillon, R. Caracas, F. Jollet, M. Torrent, G. Zerah, M. Mikami, P. Ghosez, M. Veithen, J.-Y. Raty, V. Olevano, F. Bruneval, L. Reining, R. Godby, G. Onida, D. Hamann, and D. Allan, Z. Kristallogr. 220, 558 (2005). ZEKRDZ 0044-2968 10.1524/zkri.220.5.558.65066 (Pubitemid 40778240)
- (2005) Zeitschrift fur Kristallographie , vol.220 , Issue.5-6 , pp. 558-562
- Gonze, X.¹ Rignanese, G.-M.² Verstraete, M.³ Beuken, J.-M.⁴ Pouillon, Y.⁵ Caracas, R.⁶ Jollet, F.⁷ Torrent, M.⁸ Zerah, G.⁹ Mikami, M.¹⁰ Ghosez, P.¹¹ Veithen, M.¹² Raty, J.-Y.¹³ Olevano, V.¹⁴ Bruneval, F.¹⁵ Reining, L.¹⁶ Godby, R.¹⁷ Onida, G.¹⁸ Hamann, D.R.¹⁹ Allan, D.C.²⁰ more..

67
- 40249098642
- Large-scale ab initio calculations based on three levels of parallelization
- DOI 10.1016/j.commatsci.2007.07.019, PII S0927025607002091
- F. Bottin, S. Leroux, A. Knyazev, and G. Zrah, Comput. Mater. Sci. 42, 329 (2008). CMMSEM 0927-0256 10.1016/j.commatsci.2007.07.019 (Pubitemid 351335266)
- (2008) Computational Materials Science , vol.42 , Issue.2 , pp. 329-336
- Bottin, F.¹ Leroux, S.² Knyazev, A.³ Zerah, G.⁴

68
- 0027946619
- Classification of chemical bonds based on topological analysis of electron localization functions
- DOI 10.1038/371683a0
- B. Silvi and A. Savin, Nature (London) 371, 683 (1994). NATUAS 0028-0836 10.1038/371683a0 (Pubitemid 24329613)
- (1994) Nature , vol.371 , Issue.6499 , pp. 683-686
- Silvi, B.¹ Savin, A.²

69
- 33744607543
- PRBMDO 0163-1829 10.1103/PhysRevB.31.805
- J. Tersoff and D. R. Hamann, Phys. Rev. B 31, 805 (1985). PRBMDO 0163-1829 10.1103/PhysRevB.31.805
- (1985) Phys. Rev. B , vol.31 , pp. 805
- Tersoff, J.¹ Hamann, D.R.²

70
- 84884739085
- arXiv:1306.1673.
- T. Gould, S. Lebgue, and J. F. Dobson, arXiv:1306.1673.
- Gould, T.¹ Lebgue, S.² Dobson, J.F.³

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