DOI: 10.1103/physrevb.93.195137. Second-principles method for materials simulations including electron and lattice degrees of freedom

Second-principles method for materials simulations including electron and lattice degrees of freedom

10.1103/physrevb.93.195137

Crossref journal-article

American Physical Society (APS)

Physical Review B (16)

Bibliography

GarcÃa-FernÃ¡ndez, P., WojdeÅ, J. C., ÃÃ±iguez, J., & Junquera, J. (2016). Second-principles method for materials simulations including electron and lattice degrees of freedom. Physical Review B, 93(19).

Authors 4

Pablo García-Fernández (first)
Jacek C. Wojdeł (additional)
Jorge Íñiguez (additional)
Javier Junquera (additional)

References 100 Referenced 80

10.1103/PhysRev.140.A1133
{'volume-title': 'Density-Functional Theory of Atoms and Molecules', 'year': '1994', 'author': 'R. Parr', 'key': 'PhysRevB.93.195137Cc2R1'} / Density-Functional Theory of Atoms and Molecules by R. Parr (1994)
10.1017/CBO9780511805769 / Electronic Structure. Basic Theory and Practical Methods by R. M. Martin (2004)
{'volume-title': 'Introduction to Computational Chemistry', 'year': '1999', 'author': 'F. Jensen', 'key': 'PhysRevB.93.195137Cc4R1'} / Introduction to Computational Chemistry by F. Jensen (1999)
10.1017/CBO9780511755613 / Electronic structure calculations for solids and molecules by J. Kohanoff (2006)
10.1103/PhysRev.94.1498
{'volume-title': 'Electronic Structure and the Propeties of Solids', 'year': '1988', 'author': 'W. A. Harrison', 'key': 'PhysRevB.93.195137Cc7R1'} / Electronic Structure and the Propeties of Solids by W. A. Harrison (1988)
10.1063/1.1670007
10.1021/cr900053k
10.1103/PhysRevB.51.12947
10.1103/PhysRevB.39.12520
10.1103/PhysRevB.58.7260
10.1103/PhysRevB.31.1770
10.1103/PhysRevB.40.3979
10.1002/pssb.201147259
10.1103/PhysRevLett.59.570
10.1103/PhysRevLett.73.1861
10.1103/PhysRevB.52.6301
10.1103/PhysRevLett.84.5427
10.1103/PhysRevLett.109.037207
10.1021/ct100684s
10.1021/jp056361o
10.1007/s00214-012-1145-7
10.1098/rspa.1963.0204
10.1103/PhysRevB.37.533
{'key': 'PhysRevB.93.195137Cc26R1', 'first-page': '725', 'volume': '37', 'author': 'K. J. Kugel', 'year': '1973', 'journal-title': 'Sov. Phys. - JETP'} / Sov. Phys. - JETP by K. J. Kugel (1973)
10.1103/PhysRevLett.77.175
10.1103/PhysRevLett.106.136803
10.1103/PhysRevLett.99.227602
10.1088/0953-8984/25/30/305401
10.1088/0953-8984/14/11/302
10.1007/s00214-005-0066-0
10.1103/RevModPhys.64.1045
10.1103/PhysRevA.52.1096
10.1103/PhysRevB.55.10337
10.1021/ja00364a005
10.1103/PhysRevB.65.035109
10.1103/PhysRev.156.860
10.1002/pssb.2220430132
10.1002/pssb.2221450221
10.1103/PhysRevB.56.12847
10.1103/PhysRevB.87.235109
10.1103/PhysRevB.90.165125
10.1103/RevModPhys.84.1419
10.1103/PhysRevLett.79.1337
10.1103/PhysRevB.88.214430
10.1088/0953-8984/9/4/002
10.1103/PhysRevB.52.R5467
10.1103/PhysRev.139.A796
10.1088/0034-4885/61/3/002
10.1098/rspa.1936.0075
10.1088/0305-4608/6/4/018
{'volume-title': 'Magnetism: From Fundamentals to Nanoscale Dynamics', 'year': '2006', 'author': 'J. Stöhr', 'key': 'PhysRevB.93.195137Cc54R1'} / Magnetism: From Fundamentals to Nanoscale Dynamics by J. Stöhr (2006)
10.1103/PhysRevB.52.1618
{'volume-title': 'Classical Electrodynamics', 'year': '1975', 'author': 'J. D. Jackson', 'key': 'PhysRevB.93.195137Cc56R1'} / Classical Electrodynamics by J. D. Jackson (1975)
10.1088/0022-3719/8/20/010
10.1070/PU1982v025n04ABEH004537
10.1017/CBO9780511524769 / The Jahn-Teller Effect by I. B. Bersuker (2006)
{'volume-title': 'Polarons', 'year': '2013', 'author': 'D. Emin', 'key': 'PhysRevB.93.195137Cc61R1'} / Polarons by D. Emin (2013)
10.1103/PhysRevLett.106.246406
10.1103/PhysRevB.83.174406
10.1080/00268976900100941
{'key': 'PhysRevB.93.195137Cc65R1', 'first-page': '4457', 'volume': '115', 'author': 'M. Kawata', 'year': '2001', 'journal-title': 'Chem. Phys.'} / Chem. Phys. by M. Kawata (2001)
10.1016/j.cpc.2007.11.016
10.1103/PhysRevB.43.7570
10.1088/0953-8984/20/29/293201
10.1103/PhysRevB.71.045103
10.1103/PhysRevB.39.1708
10.1103/PhysRevB.77.085122
10.1103/PhysRevB.74.235113
10.1103/PhysRevB.86.165105
10.1103/PhysRevB.51.4014
10.1038/nature02308
10.1038/nmat1569
10.1088/0953-8984/26/14/143201
10.1103/PhysRevB.54.11169
10.1103/PhysRevB.59.1758
10.1103/PhysRevB.50.17953
10.1103/PhysRevB.57.1505
10.1103/PhysRevB.27.6964
10.1103/PhysRevB.86.115134
10.1103/PhysRev.110.1333
10.1103/PhysRevB.28.6542
10.1103/PhysRevB.79.172403
10.1002/zaac.19643320503
10.1103/PhysRevB.6.3447
10.1103/PhysRevB.84.115114
10.1063/1.1564060
10.1103/PhysRevB.7.5000
10.1088/0953-8984/20/29/295214
10.1038/nmat3223
10.1103/PhysRevB.80.241103
10.1038/358136a0
10.1103/PhysRevB.42.6416
10.1103/PhysRevB.50.8911
10.1103/PhysRevLett.56.632
10.1088/0953-8984/22/7/074207
10.1002/pssb.2220900221
10.1021/acs.jctc.5b00600
10.1021/ct600312f

Dates

Type	When
Created	9 years, 3 months ago (May 20, 2016, 12:29 a.m.)
Deposited	8 years, 1 month ago (June 24, 2017, 6:09 a.m.)
Indexed	1 week, 1 day ago (Aug. 12, 2025, 5:25 p.m.)
Issued	9 years, 3 months ago (May 19, 2016)
Published	9 years, 3 months ago (May 19, 2016)
Published Online	9 years, 3 months ago (May 19, 2016)

Funders 2

Ministerio de Economía y Competitividad 10.13039/501100003329
Region: Europe
gov (National government)
Labels3
1. Ministry of Economy and Competitiveness
2. MINECO
3. MEC
Awards2
1. MAT2013-40581-P
2. FIS2012-37549-C05-04
Fonds National de la Recherche Luxembourg 10.13039/501100001866
Region: Europe
pri (Trusts, charities, foundations (both public and private))
Labels2
1. National Research Fund
2. FNR
Awards1
1. FNR/P12/4853155/Kreisel

BibTeX

@article{Garc_a_Fern_ndez_2016, title={Second-principles method for materials simulations including electron and lattice degrees of freedom}, volume={93}, ISSN={2469-9969}, url={http://dx.doi.org/10.1103/physrevb.93.195137}, DOI={10.1103/physrevb.93.195137}, number={19}, journal={Physical Review B}, publisher={American Physical Society (APS)}, author={García-Fernández, Pablo and Wojdeł, Jacek C. and Íñiguez, Jorge and Junquera, Javier}, year={2016}, month=may }

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