-
1
-
-
36349013124
-
A Theoretical Investigation of Defects in a Boron Nitride Monolayer
-
Azevedo, S.; Kaschny, J.; de Castilho, C. M.; de Brito Mota, F. A Theoretical Investigation of Defects in a Boron Nitride Monolayer Nanotechnology 2007, 18, 495707
-
(2007)
Nanotechnology
, vol.18
, pp. 495707
-
-
Azevedo, S.1
Kaschny, J.2
De Castilho, C.M.3
De Brito Mota, F.4
-
2
-
-
84867792098
-
Synthesis and Characterization of Hexagonal Boron Nitride Film as a Dielectric Layer for Graphene Devices
-
Kim, K. K.; Hsu, A.; Jia, X.; Kim, S. M.; Shi, Y.; Dresselhaus, M.; Palacios, T.; Kong, J. Synthesis and Characterization of Hexagonal Boron Nitride Film as a Dielectric Layer for Graphene Devices ACS Nano 2012, 6, 8583-8590
-
(2012)
ACS Nano
, vol.6
, pp. 8583-8590
-
-
Kim, K.K.1
Hsu, A.2
Jia, X.3
Kim, S.M.4
Shi, Y.5
Dresselhaus, M.6
Palacios, T.7
Kong, J.8
-
3
-
-
35548976235
-
Substrate-induced band gap in graphene on hexagonal boron nitride: Ab initio density functional calculations
-
Giovannetti, G.; Khomyakov, P. A.; Brocks, G.; Kelly, P. J.; van den Brink, J. Substrate-induced band gap in graphene on hexagonal boron nitride: Ab initio density functional calculations Phys. Rev. B 2007, 76, 073103
-
(2007)
Phys. Rev. B
, vol.76
, pp. 073103
-
-
Giovannetti, G.1
Khomyakov, P.A.2
Brocks, G.3
Kelly, P.J.4
Van Den Brink, J.5
-
4
-
-
84861635548
-
Effective Control of the Charge and Magnetic States of Transition-Metal Atoms on Single-Layer Boron Nitride
-
Huang, B.; Xiang, H.; Yu, J.; Wei, S.-H. Effective Control of the Charge and Magnetic States of Transition-Metal Atoms on Single-Layer Boron Nitride Phys. Rev. Lett. 2012, 108, 206802
-
(2012)
Phys. Rev. Lett.
, vol.108
, pp. 206802
-
-
Huang, B.1
Xiang, H.2
Yu, J.3
Wei, S.-H.4
-
5
-
-
84858696430
-
First-principles studies of BN sheets with absorbed transition metal single atoms or dimers: Stabilities, electronic structures, and magnetic properties
-
Ma, D.; Lu, Z.; Ju, W.; Tang, Y. First-principles studies of BN sheets with absorbed transition metal single atoms or dimers: stabilities, electronic structures, and magnetic properties J. Phys.: Condens. Matter 2012, 24, 145501
-
(2012)
J. Phys.: Condens. Matter
, vol.24
, pp. 145501
-
-
Ma, D.1
Lu, Z.2
Ju, W.3
Tang, Y.4
-
6
-
-
84899881022
-
Half-Semiconductor Antiferromagnets and Spin-Gapless-Semiconductor Antiferromagnets
-
arXiv preprint arX- iv:1308.0253.
-
He, J.; Zhou, P.; Jiao, N.; Sun, L.; Chen, X.; Lu, W. Half-Semiconductor Antiferromagnets and Spin-Gapless-Semiconductor Antiferromagnets. Condens. Matter: Mater. Sci. 2013, arXiv preprint arX- iv:1308.0253.
-
(2013)
Condens. Matter: Mater. Sci.
-
-
He, J.1
Zhou, P.2
Jiao, N.3
Sun, L.4
Chen, X.5
Lu, W.6
-
7
-
-
84862804594
-
Structural, electronic and magnetic properties of single transition-metal adsorbed {BN} sheet: A density functional study
-
Li, J.; Hu, M.; Yu, Z.; Zhong, J.; Sun, L. Structural, electronic and magnetic properties of single transition-metal adsorbed {BN} sheet: A density functional study Chem. Phys. Lett. 2012, 532, 40-46
-
(2012)
Chem. Phys. Lett.
, vol.532
, pp. 40-46
-
-
Li, J.1
Hu, M.2
Yu, Z.3
Zhong, J.4
Sun, L.5
-
8
-
-
79953838858
-
Electronic and magnetic properties of substituted BN sheets: A density functional theory study
-
Zhou, Y. G.; Yang, P.; Wang, Z. G.; Zu, X. T.; Xiao, H. Y.; Sun, X.; Khaleel, M. A.; Gao, F. Electronic and magnetic properties of substituted BN sheets: A density functional theory study Phys. Chem. Chem. Phys. 2011, 13, 7378-7383
-
(2011)
Phys. Chem. Chem. Phys.
, vol.13
, pp. 7378-7383
-
-
Zhou, Y.G.1
Yang, P.2
Wang, Z.G.3
Zu, X.T.4
Xiao, H.Y.5
Sun, X.6
Khaleel, M.A.7
Gao, F.8
-
9
-
-
33847377540
-
Challenges for Semiconductor Spintronics
-
Awschalom, D. D.; Flatté, M. E. Challenges for Semiconductor Spintronics Nat. Phys. 2007, 3, 153-159
-
(2007)
Nat. Phys.
, vol.3
, pp. 153-159
-
-
Awschalom, D.D.1
Flatté, M.E.2
-
10
-
-
77953278230
-
First-principles Theory of Dilute Magnetic Semiconductors
-
Sato, K.; Bergqvist, L.; Kudrnovský, J.; Dederichs, P. H.; Eriksson, O.; Turek, I.; Sanyal, B.; Bouzerar, G.; Katayama-Yoshida, H.; Dinh, V. A. First-principles Theory of Dilute Magnetic Semiconductors Rev. Mod. Phys. 2010, 82, 1633-1690
-
(2010)
Rev. Mod. Phys.
, vol.82
, pp. 1633-1690
-
-
Sato, K.1
Bergqvist, L.2
Kudrnovský, J.3
Dederichs, P.H.4
Eriksson, O.5
Turek, I.6
Sanyal, B.7
Bouzerar, G.8
Katayama-Yoshida, H.9
Dinh, V.A.10
-
11
-
-
78650604504
-
Controlling Spins in Adsorbed Molecules by a Chemical Switch
-
Wäckerlin, C.; Chylarecka, D.; Kleibert, A.; Müller, K.; Iacovita, C.; Nolting, F.; Jung, T. A.; Ballav, N. Controlling Spins in Adsorbed Molecules by a Chemical Switch Nat. Commun. 2010, 1, 61
-
(2010)
Nat. Commun.
, vol.1
, pp. 61
-
-
Wäckerlin, C.1
Chylarecka, D.2
Kleibert, A.3
Müller, K.4
Iacovita, C.5
Nolting, F.6
Jung, T.A.7
Ballav, N.8
-
12
-
-
84867342344
-
On-surface coordination chemistry of planar molecular spin systems: Novel magnetochemical effects induced by axial ligands
-
Wackerlin, C.; Tarafder, K.; Siewert, D.; Girovsky, J.; Hahlen, T.; Iacovita, C.; Kleibert, A.; Nolting, F.; Jung, T. A.; Oppeneer, P. M. On-surface coordination chemistry of planar molecular spin systems: novel magnetochemical effects induced by axial ligands Chem. Sci. 2012, 3, 3154-3160
-
(2012)
Chem. Sci.
, vol.3
, pp. 3154-3160
-
-
Wackerlin, C.1
Tarafder, K.2
Siewert, D.3
Girovsky, J.4
Hahlen, T.5
Iacovita, C.6
Kleibert, A.7
Nolting, F.8
Jung, T.A.9
Oppeneer, P.M.10
-
13
-
-
84873654081
-
Reversible Single Spin Control of Individual Magnetic Molecule by Hydrogen Atom Adsorption
-
Liu, L.; Yang, K.; Jiang, Y.; Song, B.; Xiao, W.; Li, L.; Zhou, H.; Wang, Y.; Du, S.; Ouyang, M. Reversible Single Spin Control of Individual Magnetic Molecule by Hydrogen Atom Adsorption Sci. Rep. 2013, 3, 1210
-
(2013)
Sci. Rep.
, vol.3
, pp. 1210
-
-
Liu, L.1
Yang, K.2
Jiang, Y.3
Song, B.4
Xiao, W.5
Li, L.6
Zhou, H.7
Wang, Y.8
Du, S.9
Ouyang, M.10
-
14
-
-
67650445626
-
Fabrication of a Freestanding Boron Nitride Single Layer and Its Defect Assignments
-
Jin, C.; Lin, F.; Suenaga, K.; Iijima, S. Fabrication of a Freestanding Boron Nitride Single Layer and Its Defect Assignments Phys. Rev. Lett. 2009, 102, 195505
-
(2009)
Phys. Rev. Lett.
, vol.102
, pp. 195505
-
-
Jin, C.1
Lin, F.2
Suenaga, K.3
Iijima, S.4
-
15
-
-
84862298732
-
Electronic Structure, Spin-States, and Spin- Crossover Reaction of Heme-Related Fe-Porphyrins: A Theoretical Perspective
-
Ali, M. E.; Sanyal, B.; Oppeneer, P. M. Electronic Structure, Spin-States, and Spin- Crossover Reaction of Heme-Related Fe-Porphyrins: A Theoretical Perspective J. Phys. Chem. B 2012, 116, 5849-5859
-
(2012)
J. Phys. Chem. B
, vol.116
, pp. 5849-5859
-
-
Ali, M.E.1
Sanyal, B.2
Oppeneer, P.M.3
-
16
-
-
84855402638
-
Transition-metal Adatoms on Graphene: Influence of Local Coulomb Interactions on Chemical Bonding and Magnetic Moments
-
Wehling, T. O.; Lichtenstein, A. I.; Katsnelson, M. I. Transition-metal Adatoms on Graphene: Influence of Local Coulomb Interactions on Chemical Bonding and Magnetic Moments Phys. Rev. B 2011, 84, 235110
-
(2011)
Phys. Rev. B
, vol.84
, pp. 235110
-
-
Wehling, T.O.1
Lichtenstein, A.I.2
Katsnelson, M.I.3
-
17
-
-
84865079302
-
Adsorption of Cobalt on Graphene: Electron Correlation Effects from a Quantum Chemical Perspective
-
Rudenko, A. N.; Keil, F. J.; Katsnelson, M. I.; Lichtenstein, A. I. Adsorption of Cobalt on Graphene: Electron Correlation Effects from a Quantum Chemical Perspective Phys. Rev. B 2012, 86, 075422
-
(2012)
Phys. Rev. B
, vol.86
, pp. 075422
-
-
Rudenko, A.N.1
Keil, F.J.2
Katsnelson, M.I.3
Lichtenstein, A.I.4
-
18
-
-
84871767085
-
Ab Initio Many-body Study of Cobalt Adatoms Adsorbed on Graphene
-
Virgus, Y.; Purwanto, W.; Krakauer, H.; Zhang, S. Ab Initio Many-body Study of Cobalt Adatoms Adsorbed on Graphene Phys. Rev. B 2012, 86, 241406
-
(2012)
Phys. Rev. B
, vol.86
, pp. 241406
-
-
Virgus, Y.1
Purwanto, W.2
Krakauer, H.3
Zhang, S.4
-
19
-
-
84871605223
-
Magnetic Properties of Single Transition-Metal Atom Absorbed Graphdiyne and Graphyne Sheet from DFT+ U Calculations
-
He, J.; Ma, S. Y.; Zhou, P.; Zhang, C.; He, C.; Sun, L. Magnetic Properties of Single Transition-Metal Atom Absorbed Graphdiyne and Graphyne Sheet from DFT+ U Calculations J. Phys. Chem. C 2012, 116, 26313-26321
-
(2012)
J. Phys. Chem. C
, vol.116
, pp. 26313-26321
-
-
He, J.1
Ma, S.Y.2
Zhou, P.3
Zhang, C.4
He, C.5
Sun, L.6
-
20
-
-
84899829220
-
Magnetic Exchange Coupling and Anisotropy of 3d Transition Metal Nanowires on Graphyne
-
He, J.; Zhou, P.; Jiao, N.; Ma, S.; Zhang, K.; Wang, R.; Sun, L. Magnetic Exchange Coupling and Anisotropy of 3d Transition Metal Nanowires on Graphyne. Sci. Rep. 2014, 4.
-
(2014)
Sci. Rep.
, vol.4
-
-
He, J.1
Zhou, P.2
Jiao, N.3
Ma, S.4
Zhang, K.5
Wang, R.6
Sun, L.7
-
21
-
-
2442537377
-
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 1996, 54, 11169-11186
-
(1996)
Phys. Rev. B
, vol.54
, pp. 11169-11186
-
-
Kresse, G.1
Furthmüller, J.2
-
22
-
-
0030190741
-
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 Comput. Mater. Sci. 1996, 6, 15-50
-
(1996)
Comput. Mater. Sci.
, vol.6
, pp. 15-50
-
-
Kresse, G.1
Furthmüller, J.2
-
23
-
-
4243943295
-
Generalized Gradient Approximation Made Simple
-
Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple Phys. Rev. Lett. 1996, 77, 3865
-
(1996)
Phys. Rev. Lett.
, vol.77
, pp. 3865
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
24
-
-
25744460922
-
Projector Augmented-wave Method
-
Blöchl, P. E. Projector Augmented-wave Method Phys. Rev. B 1994, 50, 17953
-
(1994)
Phys. Rev. B
, vol.50
, pp. 17953
-
-
Blöchl, P.E.1
-
25
-
-
0011236321
-
From Ultrasoft Pseudopotentials to the Projector Augmentedwave Method
-
Kresse, G.; Joubert, D. From Ultrasoft Pseudopotentials to the Projector Augmentedwave Method Phys. Rev. B 1999, 59, 1758
-
(1999)
Phys. Rev. B
, vol.59
, pp. 1758
-
-
Kresse, G.1
Joubert, D.2
-
28
-
-
15444366598
-
Linear Response Approach to the Calculation of the Effective Interaction Parameters in the LDA+ U Method
-
Cococcioni, M.; de Gironcoli, S. Linear Response Approach to the Calculation of the Effective Interaction Parameters in the LDA+ U Method Phys. Rev. B 2005, 71, 035105
-
(2005)
Phys. Rev. B
, vol.71
, pp. 035105
-
-
Cococcioni, M.1
De Gironcoli, S.2
-
29
-
-
0037015309
-
Spin-Driven Resistance in Organic-Based Magnetic Semiconductor v [TCNE] x
-
Prigodin, V. N.; Raju, N. P.; Pokhodnya, K. I.; Miller, J. S.; Epstein, A. J. Spin-Driven Resistance in Organic-Based Magnetic Semiconductor V [TCNE] x Adv. Mater. 2002, 14, 1230-1233
-
(2002)
Adv. Mater.
, vol.14
, pp. 1230-1233
-
-
Prigodin, V.N.1
Raju, N.P.2
Pokhodnya, K.I.3
Miller, J.S.4
Epstein, A.J.5
-
30
-
-
34548168661
-
Nonlocal Exchange Interaction Removes Half-metallicity in Graphene Nanoribbons
-
Rudberg, E.; Salek, P.; Luo, Y. Nonlocal Exchange Interaction Removes Half-metallicity in Graphene Nanoribbons Nano Lett. 2007, 7, 2211-2213
-
(2007)
Nano Lett.
, vol.7
, pp. 2211-2213
-
-
Rudberg, E.1
Salek, P.2
Luo, Y.3
-
31
-
-
84899878574
-
Prediction of a"half semiconductor" for Spintronics in Non-compensated np Codoped TiO-{2}
-
Zhu, W.; Chen, X.-Q.; Weitering, H.; Zhang, Z.; Stocks, G. Prediction of a"half semiconductor" for Spintronics in Non-compensated np Codoped TiO-{2} Bull. Am. Phys. Soc. 2012, 57
-
(2012)
Bull. Am. Phys. Soc.
, pp. 57
-
-
Zhu, W.1
Chen, X.-Q.2
Weitering, H.3
Zhang, Z.4
Stocks, G.5
-
32
-
-
84885576931
-
Electronic properties of graphene on the C-decorated Si (111) surface: An ab initio study
-
Liu, J.; He, C.; Wang, W.; Jiao, N.; Zhang, C.; Sun, L. Electronic properties of graphene on the C-decorated Si (111) surface: An ab initio study Curr. Appl. Phys. 2013, 13, 1512-1519
-
(2013)
Curr. Appl. Phys.
, vol.13
, pp. 1512-1519
-
-
Liu, J.1
He, C.2
Wang, W.3
Jiao, N.4
Zhang, C.5
Sun, L.6
|