-
1
-
-
84881167566
-
-
NATUAS 0028-0836 10.1038/nature12385
-
A.K. Geim and I.V. Grigorieva, Nature (London) 499, 419 (2013). NATUAS 0028-0836 10.1038/nature12385
-
(2013)
Nature (London)
, vol.499
, pp. 419
-
-
Geim, A.K.1
Grigorieva, I.V.2
-
2
-
-
67249122406
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.102.236804
-
S. Cahangirov, M. Topsakal, E. Akturk, H. Sahin, and S. Ciraci, Phys. Rev. Lett. 102, 236804 (2009). PRLTAO 0031-9007 10.1103/PhysRevLett.102.236804
-
(2009)
Phys. Rev. Lett.
, vol.102
, pp. 236804
-
-
Cahangirov, S.1
Topsakal, M.2
Akturk, E.3
Sahin, H.4
Ciraci, S.5
-
3
-
-
84903191784
-
-
The fact that the free standing graphene does exist, but not silicene, cannot be taken as a counter argument against the stability of silicene. All single layer structures, including graphene, need a suitable substrate if they are growing from constituent atoms. Free standing silicene does not exist, since there is no 3D allotrope of silicon consisting of weakly bonded layers like graphite, BN, or (Equation presented)
-
The fact that the free standing graphene does exist, but not silicene, cannot be taken as a counter argument against the stability of silicene. All single layer structures, including graphene, need a suitable substrate if they are growing from constituent atoms. Free standing silicene does not exist, since there is no 3D allotrope of silicon consisting of weakly bonded layers like graphite, BN, or (Equation presented)
-
-
-
-
4
-
-
84859790102
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.108.155501
-
P. Vogt, P. DePadova, C. Quaresima, J. Avila, E. Frantzeskakis, M.C. Asensio, A. Resta, B. Ealet, and G. Le Lay, Phys. Rev. Lett. 108, 155501 (2012). PRLTAO 0031-9007 10.1103/PhysRevLett.108.155501
-
(2012)
Phys. Rev. Lett.
, vol.108
, pp. 155501
-
-
Vogt, P.1
Depadova, P.2
Quaresima, C.3
Avila, J.4
Frantzeskakis, E.5
Asensio, M.C.6
Resta, A.7
Ealet, B.8
Le Lay, G.9
-
5
-
-
27144511145
-
Atomic structure of a thin silica film on a Mo(112) substrate: A two-dimensional network of SiO4 tetrahedra
-
DOI 10.1103/PhysRevLett.95.076103, 076103
-
J. Weissenrieder, S. Kaya, J.-L. Lu, H.-J. Gao, S. Shaikhutdinov, H.-J. Freund, M. Sierka, T.K. Todorova, and J. Sauer, Phys. Rev. Lett. 95, 076103 (2005). PRLTAO 0031-9007 10.1103/PhysRevLett.95.076103 (Pubitemid 41505998)
-
(2005)
Physical Review Letters
, vol.95
, Issue.7
, pp. 1-4
-
-
Weissenrieder, J.1
Kaya, S.2
Lu, J.-L.3
Gao, H.-J.4
Shaikhutdinov, S.5
Freund, H.-J.6
Sierka, M.7
Todorova, T.K.8
Sauer, J.9
-
6
-
-
77957580185
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.105.146104
-
D. Loffer, J.J. Uhlrich, M. Baron, B. Yang, X. Yu, L. Lichtenstein, L. Heinke, C. Buchner, M. Heyde, S. Shaikhutdinov, H.J. Freund, R. Wlodarczyk, M. Sierka, and J. Sauer, Phys. Rev. Lett. 105, 146104 (2010). PRLTAO 0031-9007 10.1103/PhysRevLett.105.146104
-
(2010)
Phys. Rev. Lett.
, vol.105
, pp. 146104
-
-
Loffer, D.1
Uhlrich, J.J.2
Baron, M.3
Yang, B.4
Yu, X.5
Lichtenstein, L.6
Heinke, L.7
Buchner, C.8
Heyde, M.9
Shaikhutdinov, S.10
Freund, H.J.11
Wlodarczyk, R.12
Sierka, M.13
Sauer, J.14
-
7
-
-
79960872250
-
-
JPAPBE 0022-3727 10.1088/0022-3727/44/31/312001
-
P. De Padova, C. Quaresima, B. Olivieri, P. Perfetti, and G. Le Lay, J. Phys. D 44, 312001 (2011). JPAPBE 0022-3727 10.1088/0022-3727/44/31/312001
-
(2011)
J. Phys. D
, vol.44
, pp. 312001
-
-
De Padova, P.1
Quaresima, C.2
Olivieri, B.3
Perfetti, P.4
Le Lay, G.5
-
8
-
-
84890538540
-
-
JPCCCK 1932-7447 10.1021/jp408647t
-
V.O. Özçelik and S. Ciraci, J. Phys. Chem. C 117, 26305 (2013). JPCCCK 1932-7447 10.1021/jp408647t
-
(2013)
J. Phys. Chem. C
, vol.117
, pp. 26305
-
-
Özçelik, V.O.1
Ciraci, S.2
-
9
-
-
84877747654
-
-
SRCEC3 2045-2322 10.1038/srep03507
-
R. Wang, X. Pi, Z. Ni, Y. Liu, S. Lin, M. Xu, and D. Yang, Sci. Rep. 3, 3507 (2013). SRCEC3 2045-2322 10.1038/srep03507
-
(2013)
Sci. Rep.
, vol.3
, pp. 3507
-
-
Wang, R.1
Pi, X.2
Ni, Z.3
Liu, Y.4
Lin, S.5
Xu, M.6
Yang, D.7
-
10
-
-
84882354860
-
-
AFMDC6 1616-301X 10.1002/adfm.201300354
-
A. Molle, C. Grazianetti, D. Chiappe, E. Cinquanta, E. Cianci, G. Tallarida, and M. Fanciulli, Adv. Funct. Mater. 23, 4340 (2013). AFMDC6 1616-301X 10.1002/adfm.201300354
-
(2013)
Adv. Funct. Mater.
, vol.23
, pp. 4340
-
-
Molle, A.1
Grazianetti, C.2
Chiappe, D.3
Cinquanta, E.4
Cianci, E.5
Tallarida, G.6
Fanciulli, M.7
-
11
-
-
84856962325
-
-
NALEFD 1530-6984 10.1021/nl204423x
-
P.Y. Huang, S. Kurasch, A. Srivastava, V. Skakalova, J. Kotakoski, A.V. Krasheninnikov, R. Hovden, Q. Mao, J.C. Meyer, J. Smet, D.A. Muller, and U. Kaiser, Nano Lett. 12, 1081 (2012). NALEFD 1530-6984 10.1021/nl204423x
-
(2012)
Nano Lett.
, vol.12
, pp. 1081
-
-
Huang, P.Y.1
Kurasch, S.2
Srivastava, A.3
Skakalova, V.4
Kotakoski, J.5
Krasheninnikov, A.V.6
Hovden, R.7
Mao, Q.8
Meyer, J.C.9
Smet, J.10
Muller, D.A.11
Kaiser, U.12
-
12
-
-
33646348160
-
Atomic structure of a thin silica film on a Mo(112) substrate: A combined experimental and theoretical study
-
DOI 10.1103/PhysRevB.73.165414
-
T.K. Todorova, M. Sierka, J. Sauer, S. Kaya, J. Weissenrieder, J.L. Lu, H.J. Gao, S. Shaikhutdinov, and H.J. Freund, Phys. Rev. B 73, 165414 (2006). PRBMDO 1098-0121 10.1103/PhysRevB.73.165414 (Pubitemid 43665283)
-
(2006)
Physical Review B - Condensed Matter and Materials Physics
, vol.73
, Issue.16
, pp. 165414
-
-
Todorova, T.K.1
Sierka, M.2
Sauer, J.3
Kaya, S.4
Weissenrieder, J.5
Lu, J.-L.6
Gao, H.-J.7
Shaikhutdinov, S.8
Freund, H.-J.9
-
13
-
-
68649108165
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.103.017601
-
J. Seifert, D. Blauth, and H. Winter, Phys. Rev. Lett. 103, 017601 (2009). PRLTAO 0031-9007 10.1103/PhysRevLett.103.017601
-
(2009)
Phys. Rev. Lett.
, vol.103
, pp. 017601
-
-
Seifert, J.1
Blauth, D.2
Winter, H.3
-
14
-
-
84872015095
-
-
ADVMEW 0935-9648 10.1002/adma.201203426
-
S. Shaikhutdinov and H-J. Freund, Adv. Mater. 25, 49 (2013). ADVMEW 0935-9648 10.1002/adma.201203426
-
(2013)
Adv. Mater.
, vol.25
, pp. 49
-
-
Shaikhutdinov, S.1
Freund, H.-J.2
-
15
-
-
84890740827
-
-
SRCEC3 2045-2322 10.1038/srep03482
-
T. Bjorkman, S. Kurasch, O. Lehtinen, J. Kotakoski, O.V. Yazyev, A. Srivastava, V. Skakalova, J.H. Smet, U. Kaiser, and A.V. Krasheninnikov, Sci. Rep. 3, 3482 (2013). SRCEC3 2045-2322 10.1038/srep03482
-
(2013)
Sci. Rep.
, vol.3
, pp. 3482
-
-
Bjorkman, T.1
Kurasch, S.2
Lehtinen, O.3
Kotakoski, J.4
Yazyev, O.V.5
Srivastava, A.6
Skakalova, V.7
Smet, J.H.8
Kaiser, U.9
Krasheninnikov, A.V.10
-
16
-
-
77955463877
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.81.174107
-
M. Durandurdu, Phys. Rev. B 81, 174107 (2010). PRBMDO 1098-0121 10.1103/PhysRevB.81.174107
-
(2010)
Phys. Rev. B
, vol.81
, pp. 174107
-
-
Durandurdu, M.1
-
17
-
-
33746609016
-
2 from classical and ab initio metadynamics
-
DOI 10.1038/nmat1696, PII NMAT1696
-
R. Martonak, D. Danadio, A.R. Oganov, and M. Parinello, Nat. Mater. 5, 623 (2006). NMAACR 1476-1122 10.1038/nmat1696 (Pubitemid 44157678)
-
(2006)
Nature Materials
, vol.5
, Issue.8
, pp. 623-626
-
-
Martonak, R.1
Donadio, D.2
Oganov, A.R.3
Parrinello, M.4
-
18
-
-
0004598760
-
-
PLRBAQ 0556-2805 10.1103/PhysRevB.15.4923
-
S. Ciraci and I.P. Batra, Phys. Rev. B 15, 4923 (1977). PLRBAQ 0556-2805 10.1103/PhysRevB.15.4923
-
(1977)
Phys. Rev. B
, vol.15
, pp. 4923
-
-
Ciraci, S.1
Batra, I.P.2
-
19
-
-
84903138428
-
-
We performed spin polarized density functional theory calculations within GGA including van der Waals corrections [20,21]. We used projector-augmented wave potentials [22] and the exchange-correlation potential is approximated with the PBE functional
-
We performed spin polarized density functional theory calculations within GGA including van der Waals corrections [20,21]. We used projector-augmented wave potentials [22] and the exchange-correlation potential is approximated with the PBE functional [23]. The Brillouin zone was sampled by (Equation presented) (Equation presented) points in the Monkhorst-Pack scheme. Energy convergence value between two steps was chosen as (Equation presented). A maximum force less than (Equation presented), and pressure less than 0.08 kPa in the unit cell was allowed. Energy band structure calculated by GGA [23] has been corrected using the HSE [24] functional. Phonon dispersions are determined using the small displacement method [25]. Dipole corrections are applied to remove spurious dipole interactions between periodic images. Effective charges on atoms are calculated in terms of atomic orbitals using the siesta [26] code. Structure optimizations are repeated using a (Equation presented) supercell to circumvent the constraints. Ab initio molecular dynamics calculations using the Nose thermostat were performed with a time step of 2.5 fs lasting for 12 ps. Atomic velocities were renormalized to the temperatures set at (Equation presented) at every 40 time steps.
-
-
-
-
20
-
-
33750559983
-
Semiempirical GGA-type density functional constructed with a long-range dispersion correction
-
DOI 10.1002/jcc.20495
-
S. Grimme, J. Comput. Chem. 27, 1787 (2006). JCCHDD 0192-8651 10.1002/jcc.20495 (Pubitemid 44672561)
-
(2006)
Journal of Computational Chemistry
, vol.27
, Issue.15
, pp. 1787-1799
-
-
Grimme, S.1
-
21
-
-
2442537377
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.54.11169
-
G. Kresse and J. Furthmuller, Phys. Rev. B 54, 11169 (1996). PRBMDO 0163-1829 10.1103/PhysRevB.54.11169
-
(1996)
Phys. Rev. B
, vol.54
, pp. 11169
-
-
Kresse, G.1
Furthmuller, J.2
-
22
-
-
25744460922
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.50.17953
-
P.E. Blochl, Phys. Rev. B 50, 17953 (1994). PRBMDO 0163-1829 10.1103/PhysRevB.50.17953
-
(1994)
Phys. Rev. B
, vol.50
, pp. 17953
-
-
Blochl, P.E.1
-
25
-
-
34547139150
-
-
JCPSA6 0021-9606 10.1063/1.2187006
-
J. Paier, M. Marsman, K. Hummer, G. Kresse, I.C. Gerber, and J.G. Angyan, J. Chem. Phys. 124, 154709 (2006). JCPSA6 0021-9606 10.1063/1.2187006
-
(2006)
J. Chem. Phys.
, vol.124
, pp. 154709
-
-
Paier, J.1
Marsman, M.2
Hummer, K.3
Kresse, G.4
Gerber, I.C.5
Angyan, J.G.6
-
26
-
-
70449134765
-
-
CPHCBZ 0010-4655 10.1016/j.cpc.2009.03.010
-
D. Alfe, Comput. Phys. Commun. 180, 2622 (2009). CPHCBZ 0010-4655 10.1016/j.cpc.2009.03.010
-
(2009)
Comput. Phys. Commun.
, vol.180
, pp. 2622
-
-
Alfe, D.1
-
27
-
-
0037171091
-
The SIESTA method for ab initio order-N materials simulation
-
DOI 10.1088/0953-8984/14/11/302, PII S0953898402307379
-
J.M. Soler, E. Artacho, J.D. Gale, A. Garcia, J. Junquera, P. Ordejon, and D. Sanchez-Portal, J. Phys. Condens. Matter 14, 2745 (2002). JCOMEL 0953-8984 10.1088/0953-8984/14/11/302 (Pubitemid 34288362)
-
(2002)
Journal of Physics Condensed Matter
, vol.14
, Issue.11
, pp. 2745-2779
-
-
Soler, J.M.1
Artacho, E.2
Gale, J.D.3
Garcia, A.4
Junquera, J.5
Ordejon, P.6
Sanchez-Portal, D.7
-
28
-
-
84903161348
-
-
From the symmetry point of view it is equally probable that (Equation presented)-bonded Si atoms can be either at the top or bottom side of the plane of oxygen atoms. This implies frustration and may lead to domain structure.
-
From the symmetry point of view it is equally probable that (Equation presented)-bonded Si atoms can be either at the top or bottom side of the plane of oxygen atoms. This implies frustration and may lead to domain structure.
-
-
-
-
29
-
-
84903198867
-
-
Even though the bond angle of (Equation presented)-hybrid bonds deviate from tetrahedral angles, we continue to specify related Si atoms as (Equation presented)-bonded Si atoms throughout the text.
-
Even though the bond angle of (Equation presented)-hybrid bonds deviate from tetrahedral angles, we continue to specify related Si atoms as (Equation presented)-bonded Si atoms throughout the text.
-
-
-
-
30
-
-
84903156426
-
-
The Si-O-Si angles between (Equation presented)- and (Equation presented)-bonded Si atoms, which are denoted by (Equation presented) for oxygens protruding outward and by (Equation presented) for oxygen atoms protruding inward, are 140° and 220°, respectively.
-
The Si-O-Si angles between (Equation presented)- and (Equation presented)-bonded Si atoms, which are denoted by (Equation presented) for oxygens protruding outward and by (Equation presented) for oxygen atoms protruding inward, are 140° and 220°, respectively.
-
-
-
-
31
-
-
72449171191
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.80.155453
-
H. Sahin, S. Cahangirov, M. Topsakal, E. Bekaroglu, E. Akturk, R.T. Senger, and S. Ciraci, Phys. Rev. B 80, 155453 (2009). PRBMDO 1098-0121 10.1103/PhysRevB.80.155453
-
(2009)
Phys. Rev. B
, vol.80
, pp. 155453
-
-
Sahin, H.1
Cahangirov, S.2
Topsakal, M.3
Bekaroglu, E.4
Akturk, E.5
Senger, R.T.6
Ciraci, S.7
-
32
-
-
84903186121
-
-
In Ref. [30], the calculated Poisson's ratio of more than 20 stable, single layer honeycomb structures of Group IV elements and Group III-V compounds were found to be positive.
-
In Ref. [30], the calculated Poisson's ratio of more than 20 stable, single layer honeycomb structures of Group IV elements and Group III-V compounds were found to be positive.
-
-
-
-
33
-
-
37049182280
-
-
SCIEAS 0036-8075 10.1126/science.235.4792.1038
-
R.S. Lakes, Science 235, 1038 (1987). SCIEAS 0036-8075 10.1126/science.235.4792.1038
-
(1987)
Science
, vol.235
, pp. 1038
-
-
Lakes, R.S.1
-
34
-
-
84860146524
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.85.134108
-
X.F. Wang, T.E. Jones, W. Li, and Y.C. Zhou, Phys. Rev. B 85, 134108 (2012). PRBMDO 1098-0121 10.1103/PhysRevB.85.134108
-
(2012)
Phys. Rev. B
, vol.85
, pp. 134108
-
-
Wang, X.F.1
Jones, T.E.2
Li, W.3
Zhou, Y.C.4
-
35
-
-
0014853435
-
-
JAPIAU 0021-8979 10.1063/1.1658392
-
V.E. Bottom, J. Appl. Phys. 41, 3941 (1970). JAPIAU 0021-8979 10.1063/1.1658392
-
(1970)
J. Appl. Phys.
, vol.41
, pp. 3941
-
-
Bottom, V.E.1
-
36
-
-
84903148518
-
-
See Supplemental Material at for additional information about bilayer, multilayer, hydrogenated, oxygenated, and fluorinated silica.
-
See Supplemental Material at http://link.aps.org/supplemental/10.1103/ PhysRevLett.112.246803 for additional information about bilayer, multilayer, hydrogenated, oxygenated, and fluorinated silica.
-
-
-
-
37
-
-
84884223994
-
-
NALEFD 1530-6984 10.1021/nl402264k
-
B. Yang, J.A. Boscoboinik, X. Yu, S. Shaikhutdinov, and H.J. Freund, Nano Lett. 13, 4422 (2013). NALEFD 1530-6984 10.1021/nl402264k
-
(2013)
Nano Lett.
, vol.13
, pp. 4422
-
-
Yang, B.1
Boscoboinik, J.A.2
Yu, X.3
Shaikhutdinov, S.4
Freund, H.J.5
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