DOI: 10.1103/physrevb.89.195205. Electrostatics-based finite-size corrections for first-principles point defect calculations

Electrostatics-based finite-size corrections for first-principles point defect calculations

10.1103/physrevb.89.195205

Crossref journal-article

American Physical Society (APS)

Physical Review B (16)

Bibliography

Kumagai, Y., & Oba, F. (2014). Electrostatics-based finite-size corrections for first-principles point defect calculations. Physical Review B, 89(19).

Authors 2

Yu Kumagai (first)
Fumiyasu Oba (additional)

References 78 Referenced 411

10.1103/RevModPhys.86.253
10.1063/1.1682673
10.1088/0965-0393/17/8/084001
10.1002/pssb.201046327
10.1063/1.1564060
10.1063/1.2404663
10.1103/PhysRevB.78.235104
10.1103/PhysRevB.86.045112
10.1103/PhysRevB.24.7412
10.1088/0965-0393/17/8/084002
10.1088/0022-3719/18/5/005
10.1103/PhysRevB.51.4014
10.1103/PhysRevLett.84.1942
10.1103/PhysRevB.73.035215
10.1103/PhysRevLett.102.016402
10.1002/pssb.201046289
10.1103/PhysRevB.84.075155
10.1103/PhysRevB.79.024112
10.1021/nl802847p
10.1103/PhysRevB.87.094111
10.1103/RevModPhys.73.33
10.1103/PhysRevB.63.075205
10.1103/PhysRevB.74.121102
10.1103/PhysRevB.77.245202
10.1103/PhysRevLett.101.046405
10.1103/PhysRevLett.103.176403
10.1103/PhysRevLett.102.026402
10.1103/PhysRevB.81.113201
10.1103/PhysRevB.86.035134
10.1103/PhysRevLett.112.096401
10.1103/PhysRevB.72.035211
10.1103/PhysRevB.80.085120
10.1002/adma.201203580
10.1103/PhysRevB.50.17953
10.1103/PhysRevB.47.558
10.1103/PhysRevB.54.11169
10.1103/PhysRevLett.77.3865
10.1103/PhysRevB.23.5048
10.1103/PhysRevB.57.1505
10.1103/PhysRevLett.110.065504
10.1103/PhysRevB.33.7017
10.1103/PhysRevB.73.045112
10.1103/PhysRevB.63.155107
10.1107/S0108768188010109
10.1063/1.1526935
{'key': 'PhysRevB.89.195205Cc46R1', 'first-page': '5', 'volume': '83', 'author': 'D. Taylor', 'year': '1984', 'journal-title': 'Trans. J. Br. Ceram. Soc.'} / Trans. J. Br. Ceram. Soc. by D. Taylor (1984)
10.1524/zkri.1962.117.2-3.235
10.1103/PhysRevB.61.8187
10.1111/j.1151-2916.1985.tb11534.x
10.1016/j.materresbull.2008.03.015
10.1107/S0108768191006900
{'key': 'PhysRevB.89.195205Cc52R1', 'volume-title': 'Properties of Advanced Semiconductor Materials: GaN, AIN, InN, BN, SiC, SiGe', 'author': 'M. E. Levinshtein', 'year': '2001'} / Properties of Advanced Semiconductor Materials: GaN, AIN, InN, BN, SiC, SiGe by M. E. Levinshtein (2001)
10.1107/S0021889875009508
10.1107/S0365110X62001474
10.1107/S0021889875010965
10.1103/PhysRevLett.67.2339
{'key': 'PhysRevB.89.195205Cc57R1', 'first-page': '2637', 'volume': '14', 'author': 'J. Lento', 'year': '2002', 'journal-title': 'J. Phys.: Condens. Matter'} / J. Phys.: Condens. Matter by J. Lento (2002)
10.1103/PhysRevB.77.115139
10.1098/rspa.1935.0167
10.1109/58.656617
10.1103/PhysRevApplied.1.024005
10.1103/PhysRevB.88.115104
10.1103/PhysRevB.88.035305
10.1103/PhysRevB.86.245433
10.1103/PhysRevB.82.104106
10.1088/1468-6996/12/3/034302
10.1088/0953-8984/22/38/384211
10.1103/PhysRevLett.93.225502
10.1103/PhysRevB.76.184103
10.1063/1.4784114
10.1103/PhysRevB.58.1318
10.1103/PhysRevLett.96.246401
10.1103/PhysRevB.84.035209
10.1088/0965-0393/17/8/084007
10.1103/PhysRevB.71.035206
10.1103/PhysRevB.13.5188
10.1103/PhysRevB.88.134102
10.1107/S0021889808012016

Dates

Type	When
Created	11 years, 2 months ago (May 23, 2014, 1:08 p.m.)
Deposited	8 years, 4 months ago (April 5, 2017, 7:37 p.m.)
Indexed	1 day, 8 hours ago (Aug. 20, 2025, 9:18 a.m.)
Issued	11 years, 2 months ago (May 23, 2014)
Published	11 years, 2 months ago (May 23, 2014)
Published Online	11 years, 2 months ago (May 23, 2014)

Funders 0

None

BibTeX

@article{Kumagai_2014, title={Electrostatics-based finite-size corrections for first-principles point defect calculations}, volume={89}, ISSN={1550-235X}, url={http://dx.doi.org/10.1103/physrevb.89.195205}, DOI={10.1103/physrevb.89.195205}, number={19}, journal={Physical Review B}, publisher={American Physical Society (APS)}, author={Kumagai, Yu and Oba, Fumiyasu}, year={2014}, month=may }

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