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Shi, H., Jia, R., Eglitis, R. I. (2010) First-principles calculations of surfaceHcenters inBaF2. Physical Review B, 81 (19) doi:10.1103/physrevb.81.195101

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Reference TypeJournal (article/letter/editorial)
TitleFirst-principles calculations of surfaceHcenters inBaF2
JournalPhysical Review B
AuthorsShi, H.Author
Jia, R.Author
Eglitis, R. I.Author
Year2010 (May 3)Volume81
Issue19
PublisherAmerican Physical Society (APS)
DOIdoi:10.1103/physrevb.81.195101Search in ResearchGate
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Mindat Ref. ID14207309Long-form Identifiermindat:1:5:14207309:6
GUID0
Full ReferenceShi, H., Jia, R., Eglitis, R. I. (2010) First-principles calculations of surfaceHcenters inBaF2. Physical Review B, 81 (19) doi:10.1103/physrevb.81.195101
Plain TextShi, H., Jia, R., Eglitis, R. I. (2010) First-principles calculations of surfaceHcenters inBaF2. Physical Review B, 81 (19) doi:10.1103/physrevb.81.195101
In(2010, May) Physical Review B Vol. 81 (19) American Physical Society (APS)

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Eglitis, R. I., Vanderbilt, David (2008) First-principles calculations of atomic and electronic structure ofSrTiO3(001) and (011) surfaces. Physical Review B, 77 (19) doi:10.1103/physrevb.77.195408
Yue, L., Jia, R., Shi, H., He, X., Eglitis, R. I. (2010) First-Principles Calculations for the H Center in SrF2Crystals. The Journal of Physical Chemistry A, 114 (32). 8444-8449 doi:10.1021/jp104437n
Jia, R., Shi, H., Borstel, G. (2008) First-principles calculations of oxygen-vacancy dipoles and hydrogen impurities inSrF2. Physical Review B, 78 (22) doi:10.1103/physrevb.78.224101
Eglitis, R. I., Christensen, N. E., Kotomin, E. A., Postnikov, A. V., Borstel, G. (1997) First-principles and semiempirical calculations forFcenters inKNbO3. Physical Review B, 56 (14) 8599-8604 doi:10.1103/physrevb.56.8599
Kotomin, E. A., Eglitis, R. I., Postnikov, A. V., Borstel, G., Christensen, N. E. (1999) First-principles and semiempirical calculations for bound-hole polarons inKNbO3. Physical Review B, 60 (1) 1-5 doi:10.1103/physrevb.60.1
Shi, H., Jia, R., Eglitis, R.I. (2012) First-principles calculations on surface hydroxyl impurities in BaF2. Computational Materials Science, 53 (1). 220-225 doi:10.1016/j.commatsci.2011.09.014
Shi, H., Eglitis, R. I., Borstel, G. (2005) Ab initiocalculations of theCaF2electronic structure andFcenters. Physical Review B, 72 (4) doi:10.1103/physrevb.72.045109
Shi, H., Eglitis, R. I., Borstel, G. (2006) Withdrawal: First-principles calculations of the CaF2bulk and surface electronic structure. physica status solidi (b), 243 (2). 555 doi:10.1002/pssb.200640109
Wang, Yanli, Ding, Yi, Ni, Jun (2010) Fluorination-induced half-metallicity in zigzag boron nitride nanoribbons: First-principles calculations. Physical Review B, 81 (19) doi:10.1103/physrevb.81.193407
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Shi, H., Eglitis, R. I., Borstel, G. (2005) First-principles calculations of the CaF2 bulk and surface electronic structure. physica status solidi (b), 242 (10). 2041-2050 doi:10.1002/pssb.200540069
 
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