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Physical Review Letters

Volumn 103, Issue 5, 2009, Pages

Structural prediction and phase transformation mechanisms in calcium at high pressure

(4) Yao, Yansun a Klug, Dennis D a Sun, Jian a,b Martoňák, Roman c

a NATIONAL RESEARCH COUNCIL CANADA (Canada)

b RUHR UNIVERSITY BOCHUM (Germany)

c Physics and Informatics (Slovakia)

Author keywords

[No Author keywords available]

Indexed keywords

ANHARMONIC; FREE ENERGY SURFACE; HIGH PRESSURE; HIGH-PRESSURE PHASE; LOW TEMPERATURES; METADYNAMICS; PHASE TRANSFORMATION MECHANISMS; PRESSURE RANGES; STRUCTURAL SEARCH METHOD; SUPERCONDUCTING CRITICAL TEMPERATURES;

CALCIUM; ENTHALPY; INTERMETALLICS;

PHASE TRANSITIONS;

EID: 68849132113 PISSN: 00319007 EISSN: 10797114 Source Type: Journal
DOI: 10.1103/PhysRevLett.103.055503 Document Type: Article

Times cited : (71)

References (32)

1
- 0000864582
- PYLAAG 0375-9601 10.1016/0375-9601(84)90757-6
- H. Olijnyk and W.B. Holzapfel, Phys. Lett. 100A, 191 (1984). PYLAAG 0375-9601 10.1016/0375-9601(84)90757-6
- (1984) Phys. Lett. , vol.100 , pp. 191
- Olijnyk, H.¹ Holzapfel, W.B.²

2
- 0001258070
- PRLTAO 0031-9007 10.1103/PhysRevLett.75.3473
- R. Ahuja, Phys. Rev. Lett. 75, 3473 (1995). PRLTAO 0031-9007 10.1103/PhysRevLett.75.3473
- (1995) Phys. Rev. Lett. , vol.75 , pp. 3473
- Ahuja, R.¹

3
- 50849091986
- PRLTAO 0031-9007 10.1103/PhysRevLett.101.095503
- H. Fujihisa, Phys. Rev. Lett. 101, 095503 (2008). PRLTAO 0031-9007 10.1103/PhysRevLett.101.095503
- (2008) Phys. Rev. Lett. , vol.101 , pp. 095503
- Fujihisa, H.¹

4
- 25144504843
- New high-pressure phase of calcium
- DOI 10.1143/JPSJ.74.2391
- T. Yabuuchi, J. Phys. Soc. Jpn. 74, 2391 (2005). JUPSAU 0031-9015 10.1143/JPSJ.74.2391 (Pubitemid 41337501)
- (2005) Journal of the Physical Society of Japan , vol.74 , Issue.9 , pp. 2391-2392
- Yabuuchi, T.¹ Nakamoto, Y.² Shimizu, K.³ Kikegawa, T.⁴

5
- 33847302073
- JUPSAU 0031-9015 10.1143/JPSJ.75.083703
- T. Yabuuchi, J. Phys. Soc. Jpn. 75, 083703 (2006). JUPSAU 0031-9015 10.1143/JPSJ.75.083703
- (2006) J. Phys. Soc. Jpn. , vol.75 , pp. 083703
- Yabuuchi, T.¹

6
- 66349116430
- PRBMDO 1098-0121 10.1103/PhysRevB.79.134121
- Q.F. Gu, Phys. Rev. B PRBMDO 1098-0121 79, 134121 (2009). 10.1103/PhysRevB.79.134121
- (2009) Phys. Rev. B , vol.79 , pp. 134121
- Gu, Q.F.¹

7
- 38349152234
- PRBMDO 1098-0121 10.1103/PhysRevB.77.020101
- T. Ishikawa, Phys. Rev. B PRBMDO 1098-0121 77, 020101(R) (2008). 10.1103/PhysRevB.77.020101
- (2008) Phys. Rev. B , vol.77
- Ishikawa, T.¹

8
- 49649103993
- PRBMDO 1098-0121 10.1103/PhysRevB.78.054506
- Y. Yao, Phys. Rev. B PRBMDO 1098-0121 78, 054506 (2008). 10.1103/PhysRevB.78.054506
- (2008) Phys. Rev. B , vol.78 , pp. 054506
- Yao, Y.¹

9
- 54449101380
- PRBMDO 1098-0121 10.1103/PhysRevB.78.140101
- A.M. Teweldeberhan and S.A. Bonev, Phys. Rev. B PRBMDO 1098-0121 78, 140101(R) (2008). 10.1103/PhysRevB.78.140101
- (2008) Phys. Rev. B , vol.78
- Teweldeberhan, A.M.¹ Bonev, S.A.²

10
- 40849112898
- SSCOA4 0038-1098 10.1016/j.ssc.2008.01.026
- G. Gao, Solid State Commun. 146, 181 (2008). SSCOA4 0038-1098 10.1016/j.ssc.2008.01.026
- (2008) Solid State Commun. , vol.146 , pp. 181
- Gao, G.¹

11
- 0037458399
- PRLTAO 0031-9007 10.1103/PhysRevLett.90.075503
- R. Martoňák, A. Laio, and M. Parrinello, Phys. Rev. Lett. 90, 075503 (2003). PRLTAO 0031-9007 10.1103/PhysRevLett.90.075503
- (2003) Phys. Rev. Lett. , vol.90 , pp. 075503
- Martoňák, R.¹ Laio, A.² Parrinello, M.³

12
- 33746609016
- 2 from classical and ab initio metadynamics
- DOI 10.1038/nmat1696, PII NMAT1696
- R. Martoňák, Nature 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

13
- 0036790894
- PNASA6 0027-8424 10.1073/pnas.202427399
- A. Laio and M. Parrinello, Proc. Natl. Acad. Sci. U.S.A. PNASA6 0027-8424 99, 12562 (2002). 10.1073/pnas.202427399
- (2002) Proc. Natl. Acad. Sci. U.S.A. , vol.99 , pp. 12562
- Laio, A.¹ Parrinello, M.²

14
- 33745634670
- Crystal structure prediction using ab initio evolutionary techniques: Principles and applications
- DOI 10.1063/1.2210932
- A.R. Oganov and C.W. Glass, J. Chem. Phys. 124, 244704 (2006). JCPSA6 0021-9606 10.1063/1.2210932 (Pubitemid 43993036)
- (2006) Journal of Chemical Physics , vol.124 , Issue.24 , pp. 244704
- Oganov, A.R.¹ Glass, C.W.²

15
- 33751191844
- USPEX-Evolutionary crystal structure prediction
- DOI 10.1016/j.cpc.2006.07.020, PII S0010465506002931
- C.W. Glass, Comput. Phys. Commun. 175, 713 (2006). CPHCBZ 0010-4655 10.1016/j.cpc.2006.07.020 (Pubitemid 44779576)
- (2006) Computer Physics Communications , vol.175 , Issue.11-12 , pp. 713-720
- Glass, C.W.¹ Oganov, A.R.² Hansen, N.³

16
- 40749151905
- PRBMDO 1098-0121 10.1103/PhysRevB.77.052103
- Y. Yao, J.S. Tse, and K. Tanaka, Phys. Rev. B PRBMDO 1098-0121 77, 052103 (2008). 10.1103/PhysRevB.77.052103
- (2008) Phys. Rev. B , vol.77 , pp. 052103
- Yao, Y.¹ Tse, J.S.² Tanaka, K.³

17
- 42549100716
- Influence of temperature and anisotropic pressure on the phase transitions in α-cristobalite
- DOI 10.1103/PhysRevLett.100.165502
- D. Donadio, Phys. Rev. Lett. 100, 165502 (2008). PRLTAO 0031-9007 10.1103/PhysRevLett.100.165502 (Pubitemid 351585529)
- (2008) Physical Review Letters , vol.100 , Issue.16 , pp. 165502
- Donadio, D.¹ Martonak, R.² Raiteri, P.³ Parrinello, M.⁴

18
- 43249123138
- Metadynamics simulations of the high-pressure phases of silicon employing a high-dimensional neural network potential
- DOI 10.1103/PhysRevLett.100.185501
- J. Behler, Phys. Rev. Lett. 100, 185501 (2008). PRLTAO 0031-9007 10.1103/PhysRevLett.100.185501 (Pubitemid 351654650)
- (2008) Physical Review Letters , vol.100 , Issue.18 , pp. 185501
- Behler, J.¹ Martonak, R.² Donadio, D.³ Parrinello, M.⁴

19
- 65949099498
- PNASA6 0027-8424 10.1073/pnas.0812624106
- J. Sun, Proc. Natl. Acad. Sci. U.S.A. PNASA6 0027-8424 106, 6077 (2009). 10.1073/pnas.0812624106
- (2009) Proc. Natl. Acad. Sci. U.S.A. , vol.106 , pp. 6077
- Sun, J.¹

20
- 65949101472
- JCPSA6 0021-9606 10.1063/1.3139060
- J. Sun, D.D. Klug, and R. Martoňák, J. Chem. Phys. 130, 194512 (2009). JCPSA6 0021-9606 10.1063/1.3139060
- (2009) J. Chem. Phys. , vol.130 , pp. 194512
- Sun, J.¹ Klug, D.D.² Martoňák, R.³

21
- 0011236321
- PRBMDO 0163-1829 10.1103/PhysRevB.59.1758
- G. Kresse and D. Joubert, Phys. Rev. B PRBMDO 0163-1829 59, 1758 (1999). 10.1103/PhysRevB.59.1758
- (1999) Phys. Rev. B , vol.59 , pp. 1758
- Kresse, G.¹ Joubert, D.²

22
- 12844286241
- PRBMDO 0163-1829 10.1103/PhysRevB.47.558
- G. Kresse and J. Hafner, Phys. Rev. B PRBMDO 0163-1829 47, 558 (1993). 10.1103/PhysRevB.47.558
- (1993) Phys. Rev. B , vol.47 , pp. 558
- Kresse, G.¹ Hafner, J.²

23
- 23244460838
- PRBMDO 0163-1829 10.1103/PhysRevB.46.6671
- J.P. Perdew, Phys. Rev. B PRBMDO 0163-1829 46, 6671 (1992). 10.1103/PhysRevB.46.6671
- (1992) Phys. Rev. B , vol.46 , pp. 6671
- Perdew, J.P.¹

24
- 1842816907
- PLRBAQ 0556-2805 10.1103/PhysRevB.13.5188
- H.J. Monkhorst and J.D. Pack, Phys. Rev. B PLRBAQ 0556-2805 13, 5188 (1976). 10.1103/PhysRevB.13.5188
- (1976) Phys. Rev. B , vol.13 , pp. 5188
- Monkhorst, H.J.¹ Pack, J.D.²

25
- 23744471688
- Quantum software interfaced with crystal-structure databases: Tools, results and perspectives
- DOI 10.1107/S0021889805017358
- Y. Le Page and J.R. Rodgers, J. Appl. Crystallogr. JACGAR 0021-8898 38, 697 (2005). 10.1107/S0021889805017358 (Pubitemid 41128894)
- (2005) Journal of Applied Crystallography , vol.38 , Issue.4 , pp. 697-705
- Le Page, Y.¹ Rodgers, J.R.²

26
- 4243943295
- PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865
- J.P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 77, 3865 (1996). 10.1103/PhysRevLett.77.3865
- (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
- Perdew, J.P.¹ Burke, K.² Ernzerhof, M.³

27
- 0035535380
- RMPHAT 0034-6861 10.1103/RevModPhys.73.515
- S. Baroni, Rev. Mod. Phys. 73, 515 (2001); RMPHAT 0034-6861 10.1103/RevModPhys.73.515
- (2001) Rev. Mod. Phys. , vol.73 , pp. 515
- Baroni, S.¹

28
- 68849130828
- P. Giannozzi, http://www.quantum-espresso.org.
- Giannozzi, P.¹

29
- 33646343743
- PRBMDO 1098-0121 10.1103/PhysRevB.73.144112
- T. Bovornratanaraks, Phys. Rev. B PRBMDO 1098-0121 73, 144112 (2006). 10.1103/PhysRevB.73.144112
- (2006) Phys. Rev. B , vol.73 , pp. 144112
- Bovornratanaraks, T.¹

30
- 0012730831
- PRBMDO 0163-1829 10.1103/PhysRevB.65.144114
- H.T. Stokes and D.M. Hatch, Phys. Rev. B PRBMDO 0163-1829 65, 144114 (2002). 10.1103/PhysRevB.65.144114
- (2002) Phys. Rev. B , vol.65 , pp. 144114
- Stokes, H.T.¹ Hatch, D.M.²

31
- 34347236522
- PRBMDO 1098-0121 10.1103/PhysRevB.75.174103
- H. Katzke and P. Tolédano, Phys. Rev. B PRBMDO 1098-0121 75, 174103 (2007). 10.1103/PhysRevB.75.174103
- (2007) Phys. Rev. B , vol.75 , pp. 174103
- Katzke, H.¹ Tolédano, P.²

32
- 0000310328
- PLRBAQ 0556-2805 10.1103/PhysRevB.12.905
- P.B. Allen and R.C. Dynes, Phys. Rev. B PLRBAQ 0556-2805 12, 905 (1975). 10.1103/PhysRevB.12.905
- (1975) Phys. Rev. B , vol.12 , pp. 905
- Allen, P.B.¹ Dynes, R.C.²

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