-
1
-
-
0001369722
-
Novel H2-H2O clathrates at high pressures
-
Vos, W. L., Finger, L. W., Hemley, R. J. & Mao, H.-K. Novel H2-H2O clathrates at high pressures. Phys. Rev. Lett. 71, 3150-3153 (1993
-
(1993)
Phys. Rev. Lett
, vol.71
, pp. 3150-3153
-
-
Vos, W.L.1
Finger, L.W.2
Hemley, R.J.3
Mao, H.-K.4
-
2
-
-
83655191167
-
Novel Cooperative Interactions and Structural Ordering inH2S-H2
-
Strobel, T. A., Ganesh, P., Somayazulu, M., Kent, P. R. C. & Hemley, R. J. Novel Cooperative Interactions and Structural Ordering inH2S-H2. Phys. Rev. Lett. 107, 255503 (2011
-
(2010)
Phys. Rev. Lett
, vol.107
, pp. 255503
-
-
Strobel, T.A.1
Ganesh, P.2
Somayazulu, M.3
Kent, P.R.C.4
Hemley, R.J.5
-
3
-
-
0000765078
-
High-pressure compounds in methane-hydrogen mixtures
-
Somayazulu, M. S., Finger, L. W., Hemley, R. J. & Mao, H. K. High-Pressure Compounds in Methane-Hydrogen Mixtures. Science 271, 1400-1402 (1996
-
(1996)
Science
, vol.271
, pp. 1400-1402
-
-
Somayazulu, M.S.1
Finger, L.W.2
Hemley, R.J.3
Mao, H.K.4
-
4
-
-
68649119813
-
Novel pressure-induced interactions in silane-hydrogen
-
Strobel, T. A., Somayazulu, M. & Hemley, R. J. Novel Pressure-Induced Interactions in Silane-Hydrogen. Phys. Rev. Lett. 103, 065701-065704 (2009
-
(2009)
Phys. Rev. Lett
, vol.103
, pp. 065701-065704
-
-
Strobel, T.A.1
Somayazulu, M.2
Hemley, R.J.3
-
5
-
-
70349290635
-
High pressure chemistry in the H2-SiH4 system
-
Wang, S. B.,Mao, H. K., Chen, X. J. & Mao, W. L. High pressure chemistry in the H2-SiH4 system. Proc. Natl. Acad. Sci. USA 106, 14763-14767 (2009
-
(2009)
Proc. Natl. Acad. Sci. USA
, vol.106
, pp. 14763-14767
-
-
Wang, B.1
Mao, S.H.K.2
Chen, X.J.3
Mao, W.L.4
-
6
-
-
78149395239
-
Vibrational dynamics, intermolecular interactions, and compound formation in GeH4-H2 under pressure
-
Strobel, T. A., Chen, X.-J., Somayazulu, M. & Hemley, R. J. Vibrational dynamics, intermolecular interactions, and compound formation in GeH4-H2 under pressure. J. Chem. Phys. 133, 164512-164519 (2010
-
(2010)
J. Chem. Phys
, vol.133
, pp. 164512-164519
-
-
Strobel, T.A.1
Chen, X.-J.2
Somayazulu, M.3
Hemley, R.J.4
-
7
-
-
66249139898
-
Storage of molecular hydrogen in an ammonia borane compound at high pressure
-
Lin, Y., Mao, W. L. & Mao, H. Storage of molecular hydrogen in an ammonia borane compound at high pressure. Proc. Natl. Acad. Sci. USA 106, 8113 (2009
-
(2009)
Proc. Natl. Acad. Sci. USA
, vol.106
, pp. 8113
-
-
Lin, Y.1
Mao, W.L.2
Mao, H.3
-
8
-
-
72449173828
-
Pressure-induced complexation of NH3BH3-H2
-
Chellappa, R. S., Somayazulu, M., Struzhkin, V. V., Autrey, T. & Hemley, R. J. Pressure-induced complexation of NH3BH3-H2. J. Chem. Phys. 131, 224515-224519 (2009
-
(2009)
J. Chem. Phys
, vol.131
, pp. 224515-224519
-
-
Chellappa, R.S.1
Somayazulu, M.2
Struzhkin, V.V.3
Autrey, T.4
Hemley, R.J.5
-
9
-
-
4043091111
-
Compression of Ar(H2)2 up to 175 GPa: A new path for the dissociation of molecular hydrogen?
-
Loubeyre, P., Letoullec, R. & Pinceaux, J.-P. Compression of Ar(H2)2 up to 175 GPa: A new path for the dissociation of molecular hydrogen? Phys. Rev. Lett. 72, 1360 (1994
-
(1994)
Phys. Rev. Lett
, vol.72
, pp. 1360
-
-
Loubeyre, P.1
Letoullec, R.2
Pinceaux, J.-P.3
-
10
-
-
84900992900
-
New high-pressure van der Waals compound Kr(H2)4 discovered in the krypton-hydrogen binary system
-
Kleppe, A. K., Amboage, M. & Jephcoat, A. P. New high-pressure van der Waals compound Kr(H2)4 discovered in the krypton-hydrogen binary system. Sci. Rep. 4, 4989 (2014
-
(2014)
Sci. Rep
, vol.4
, pp. 4989
-
-
Kleppe, A.K.1
Amboage, M.2
Jephcoat, A.P.3
-
11
-
-
77954950083
-
Pressure-induced bonding and compound formation in xenon-hydrogen solids
-
Somayazulu, M. et al. Pressure-induced bonding and compound formation in xenon-hydrogen solids. Nat. Chem. 2, 50-53 (2010
-
(2010)
Nat. Chem
, vol.2
, pp. 50-53
-
-
Somayazulu, M.1
-
12
-
-
1642555873
-
Hydrogen storage in molecular compounds
-
Mao, W. L. & Mao, H. K. Hydrogen storage in molecular compounds. Proc. Natl. Acad. Sci. USA 101, 708 (2004
-
(2004)
Proc. Natl. Acad. Sci. USA
, vol.101
, pp. 708
-
-
Mao, W.L.1
Mao, H.K.2
-
13
-
-
36849136034
-
On the Possibility of a Metallic Modification of Hydrogen
-
Wigner, E. & Huntington, H. B. On the Possibility of a Metallic Modification of Hydrogen. J. Chem. Phys. 3, 764-770 (1935
-
(1935)
J. Chem. Phys
, vol.3
, pp. 764-770
-
-
Wigner, E.1
Huntington, H.B.2
-
14
-
-
0014371735
-
Metallic hydrogen: A high-temperature superconductor? Phys
-
Ashcroft, N. W. Metallic Hydrogen: A High-Temperature Superconductor? Phys. Rev. Lett. 21, 1748 (1968
-
(1968)
Rev. Lett
, vol.21
, pp. 1748
-
-
Ashcroft N. ., W.1
-
15
-
-
81955167333
-
Conductive dense hydrogen
-
Eremets, M. I. & Troyan, I. A. Conductive dense hydrogen. Nat. Mater. 10, 927-931 (2011
-
(2010)
Nat. Mater
, vol.10
, pp. 927-931
-
-
Eremets, M.I.1
Troyan, I.A.2
-
16
-
-
84859609461
-
Synchrotron infrared measurements of dense hydrogen to 360 gpa
-
Zha, C.-S., Liu, Z. & Hemley, R. J. Synchrotron Infrared Measurements of Dense Hydrogen to 360 GPa. Phys. Rev. Lett. 108, 146402 (2012
-
(2012)
Phys. Rev. Lett
, vol.108
, pp. 146402
-
-
Zha, C.-S.1
Liu, Z.2
Hemley, R.J.3
-
17
-
-
80052343362
-
Metallic and superconducting gallane under high pressure
-
Gao, G. et al.Metallic and superconducting gallane under high pressure. Phys. Rev. B 84, 064118 (2011
-
(2010)
Phys. Rev B
, vol.84
, pp. 064118
-
-
Gao, G.1
-
18
-
-
84888335876
-
Quantum disproportionation: The high hydrides at elevated pressures
-
Abe, K. & Ashcroft, N. W. Quantum disproportionation: The high hydrides at elevated pressures. Phys. Rev. B 88, 174110 (2013
-
(2013)
Phys. Rev B
, vol.88
, pp. 174110
-
-
Abe, K.1
Ashcroft, N.W.2
-
19
-
-
77953419260
-
Superconducting high-pressure phases of disilane
-
Jin, X. et al. Superconducting high-pressure phases of disilane. Proc. Natl. Acad. Sci. USA 107, 9969-9973 (2010
-
(2010)
Proc. Natl. Acad. Sci. USA
, vol.107
, pp. 9969-9973
-
-
Jin, X.1
-
20
-
-
84858221363
-
High-pressure structures of disilane and their superconducting properties
-
Flores-Livas, J. A. et al. High-Pressure Structures of Disilane and Their Superconducting Properties. Phys. Rev. Lett. 108, 117004 (2012
-
(2012)
Phys. Rev. Lett
, vol.108
, pp. 117004
-
-
Flores-Livas, J.A.1
-
21
-
-
38349102166
-
Pressure-induced metallization of silane
-
Chen, X.-J. et al. Pressure-Induced Metallization of Silane. Proc. Natl. Acad. Sci. USA 105, 20-23 (2008
-
(2008)
Proc. Natl. Acad. Sci. USA
, vol.105
, pp. 20-23
-
-
Chen, X.-J.1
-
22
-
-
40849139337
-
Superconductivity in Hydrogen Dominant Materials: Silane
-
Eremets, M. I., Trojan, I. A.,Medvedev, S. A., Tse, J. S. & Yao, Y. Superconductivity in Hydrogen Dominant Materials: Silane. Science 319, 1506-1509 (2008
-
(2008)
Science
, vol.319
, pp. 1506-1509
-
-
Eremets, M.I.1
Trojan, A.2
Medvedev, I.S.A.3
Tse, J.S.4
Yao, Y.5
-
23
-
-
49549088144
-
Superconducting Behavior in Compressed Solid SiH4 with a Layered Structure
-
Chen, X.-J. et al. Superconducting Behavior in Compressed Solid SiH4 with a Layered Structure. Phys. Rev. Lett. 101, 077002 (2008
-
(2008)
Phys. Rev. Lett
, vol.101
, pp. 077002
-
-
Chen, X.-J.1
-
24
-
-
61849099445
-
Novel structures and superconductivity of silane under pressure
-
Martinez-Canales, M. et al. Novel Structures and Superconductivity of Silane under Pressure. Phys. Rev. Lett. 102, 087005-087004 (2009
-
(2009)
Phys. Rev. Lett
, vol.102
, pp. 087005-087004
-
-
Martinez-Canales, M.1
-
25
-
-
51149111830
-
Superconducting high pressure phase of germane
-
Gao, G. et al. Superconducting High Pressure Phase of Germane. Phys. Rev. Lett. 101, 107002-107004 (2008
-
(2008)
Phys. Rev. Lett
, vol.101
, pp. 107002-107004
-
-
Gao, G.1
-
26
-
-
84864488110
-
Ab initio study revealing a layered structure in hydrogen-rich KH6 under high pressure
-
Zhou, D. et al. Ab initio study revealing a layered structure in hydrogen-rich KH6 under high pressure. Phys. Rev. B 86, 014118 (2012
-
(2012)
Phys. Rev B
, vol.86
, pp. 014118
-
-
Zhou, D.1
-
27
-
-
84860194411
-
Superconductive sodalite-like clathrate calcium hydride at high pressures
-
Wang, H., Tse, J. S., Tanaka, K., Iitaka, T. & Ma, Y. Superconductive sodalite-like clathrate calcium hydride at high pressures. Proc. Natl. Acad. Sci. USA 109, 6463-6466 (2012
-
(2012)
Proc. Natl. Acad. Sci. USA
, vol.109
, pp. 6463-6466
-
-
Wang, H.1
Tse, J.S.2
Tanaka, K.3
Iitaka, T.4
Ma, Y.5
-
28
-
-
77957587329
-
Superconductivity at 100 K in dense SiH4(H2)2 predicted by first principles
-
Li, Y. et al. Superconductivity at 100 K in dense SiH4(H2)2 predicted by first principles. Proc. Natl. Acad. Sci. USA 107, 15708-15711 (2010
-
(2010)
Proc. Natl. Acad. Sci. USA
, vol.107
, pp. 15708-15711
-
-
Li, Y.1
-
29
-
-
84863270615
-
Structural electronic, dynamical, and superconducting properties in dense GeH4(H2)2
-
Zhong, G. et al. Structural, Electronic, Dynamical, and Superconducting Properties in Dense GeH4(H2)2. J. Phys. Chem. C 116, 5225-5234 (2012
-
(2012)
J. Phys. Chem. C
, vol.116
, pp. 5225-5234
-
-
Zhong, G.1
-
30
-
-
33745634670
-
Crystal structure prediction using ab initio evolutionary techniques: Principles and applications
-
Oganov, A. R. & Glass, C. W. Crystal structure prediction using ab initio evolutionary techniques: Principles and applications. J. Chem. Phys. 124, 244704-244715 (2006
-
(2006)
J. Chem. Phys
, vol.124
, pp. 244704-244715
-
-
Oganov, A.R.1
Glass, C.W.2
-
31
-
-
79952849741
-
How Evolutionary Crystal Structure Prediction Works-and Why
-
Oganov, A. R., Lyakhov, A. O. & Valle, M. How Evolutionary Crystal Structure Prediction Works-and Why. Acc. Chem. Res. 44, 227-237 (2011
-
(2010)
Acc. Chem. Res
, vol.44
, pp. 227-237
-
-
Oganov, A.R.1
Lyakhov, A.O.2
Valle, M.3
-
32
-
-
84873192032
-
New developments in evolutionary structure prediction algorithm USPEX
-
Lyakhov, A. O., Oganov, A. R., Stokes, H. T. & Zhu, Q. New developments in evolutionary structure prediction algorithm USPEX. Comput. Phys. Commun. 184, 1172-1182 (2013
-
(2013)
Comput. Phys. Commun
, vol.184
, pp. 1172-1182
-
-
Lyakhov, A.O.1
Oganov, A.R.2
Stokes, H.T.3
Zhu, Q.4
-
33
-
-
34547264361
-
Structure of phase III of solid hydrogen
-
Pickard, C. J. & Needs, R. J. Structure of phase III of solid hydrogen. Nat. Phys. 3, 473-476 (2007
-
(2007)
Nat. Phys
, vol.3
, pp. 473-476
-
-
Pickard, C.J.1
Needs, R.J.2
-
34
-
-
13144294071
-
Novel chain structures in group VI elements
-
Degtyareva, O. et al. Novel chain structures in group VI elements. Nat. Mater. 4, 152-155 (2005
-
(2005)
Nat. Mater
, vol.4
, pp. 152-155
-
-
Degtyareva, O.1
-
35
-
-
0000817645
-
L b-Po phase of sulfur at 162 GPa: X-ray diffraction study to 212 GPa
-
Luo, H., Greene, R. G. & Ruoff, A. L. b-Po phase of sulfur at 162 GPa: X-ray diffraction study to 212 GPa. Phys. Rev. Lett. 71, 2943-2946 (1993
-
(1993)
Phys. Rev. Lett
, vol.71
, pp. 2943-2946
-
-
Luo, H.1
Greene, R.G.2
Ruoff, A.3
-
36
-
-
84900021972
-
The metallization and superconductivity of dense hydrogen sulfide
-
Li, Y., Hao, J., Liu, H., Li, Y. & Ma, Y. The metallization and superconductivity of dense hydrogen sulfide. J. Chem. Phys. 140, 174712 (2014
-
(2014)
J. Chem. Phys
, vol.140
, pp. 174712
-
-
Li, Y.1
Hao, J.2
Liu, H.3
Li, Y.4
Ma, Y.5
-
37
-
-
0030765850
-
Superconductivity and chemistry
-
Simon, A. Superconductivity and Chemistry. Angew. Chem., Int. Ed. 36, 1788-1806 (1997
-
(1997)
Angew. Chem. Int. Ed
, vol.36
, pp. 1788-1806
-
-
Simon, A.1
-
38
-
-
84881154900
-
Fate of density functional theory in the study of high-pressure solid hydrogen
-
Azadi, S. & Foulkes, W. M. C. Fate of density functional theory in the study of high-pressure solid hydrogen. Phys. Rev. B 88, 014115 (2013
-
(2013)
Phys. Rev. B
, vol.88
, pp. 014115
-
-
Azadi, S.1
Foulkes, W.M.C.2
-
39
-
-
25044473556
-
Neutron spectroscopy of superconductors
-
Allen, P. B. Neutron Spectroscopy of Superconductors. Phys. Rev. B 6, 2577-2579 (1972
-
(1972)
Phys. Rev B
, vol.6
, pp. 2577-2579
-
-
Allen, P.B.1
-
40
-
-
2942655370
-
Hydrogen dominant metallic alloys: High temperature superconductors
-
Ashcroft, N. W. Hydrogen Dominant Metallic Alloys: High Temperature Superconductors? Phys. Rev. Lett. 92, 187002 (2004
-
(2004)
Phys. Rev. Lett
, vol.92
, pp. 187002
-
-
Ashcroft N. ., W.1
-
41
-
-
0000310328
-
Transition temperature of strong-coupled superconductors reanalyzed
-
Allen, P. B. & Dynes, R. C. Transition temperature of strong-coupled superconductors reanalyzed. Phys. Rev. B 12, 905-922 (1975
-
(1975)
Phys. Rev. B
, vol.12
, pp. 905-922
-
-
Allen, P.B.1
Dynes, R.C.2
-
42
-
-
79551619165
-
High-pressure phase transition and metallization in Ar(H2)2
-
Yao, Y. & Klug, D. D. High-pressure phase transition and metallization in Ar(H2)2. Phys. Rev. B 83, 020105 (2011
-
(2010)
Phys. Rev. B
, vol.83
, pp. 020105
-
-
Yao, Y.1
Klug, D.D.2
-
43
-
-
4243943295
-
Generalized gradient approximation made simple
-
Perdew, J. P., Burke, K. & Ernzerhof, M. Generalized Gradient Approximation Made Simple. Phys. Rev. Lett. 77, 3865-3868 (1996
-
(1996)
Phys. Rev. Lett
, vol.77
, pp. 3865-3868
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
44
-
-
2442537377
-
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
-
Kresse, G. & Furthmu?ler, J. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys. Rev. B 54, 11169-11186 (1996
-
(1996)
Phys. Rev B
, vol.54
, pp. 11169-11186
-
-
Kresse, G.1
Furthmuler, J.2
-
45
-
-
0011236321
-
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, 1758-1775 (1999
-
(1999)
Phys. Rev. B
, vol.59
, pp. 1758-1775
-
-
Kresse, G.1
Joubert, D.2
-
46
-
-
0035535380
-
Phonons and related crystal properties from density-functional perturbation theory
-
Baroni, S., de Gironcoli, S., Dal Corso, A. & Giannozzi, P. Phonons and related crystal properties from density-functional perturbation theory. Rev. Mod. Phys. 73, 515-562 (2001
-
(2001)
Rev. Mod. Phys
, vol.73
, pp. 515-562
-
-
Baroni, S.1
De Gironcoli, S.2
Dal Corso, A.3
Giannozzi, P.4
-
47
-
-
20544463457
-
Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
-
Vanderbilt, D. Soft self-consistent pseudopotentials in a generalized eigenvalue formalism. Phys. Rev. B 41, 7892 (1990
-
(1990)
Phys. Rev B
, vol.41
, pp. 7892
-
-
Vanderbilt, D.1
-
48
-
-
70349568754
-
Quantum Espresso: A modular and open-source software project for quantum simulations of materials
-
Paolo, G. et al. QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials. J. Phys.: Condens. Matter 21, 395502 (2009
-
(2009)
J. Phys.: Condens. Matter
, vol.21
, pp. 395502
-
-
Paolo, G.1
|