Publications

Filters: Author is Van de Walle, CG  [Clear All Filters]
Journal Article
Bjaalie L, Janotti A, Himmetoglu B, Van de Walle CG.  2014.  Turning SrTiO 3 into a Mott insulator. Physical Review B. 90:195117.
Lyons JL, Van de Walle CG.  2016.  Surprising stability of neutral interstitial hydrogen in diamond and cubic BN. Journal of Physics: Condensed Matter. 28:06LT01.
Krishnaswamy K, Dreyer CE, Janotti A, Van de Walle CG.  2014.  Structure and energetics of LaAlO 3 (001) surfaces. Physical Review B. 90:235436.
Weston L, Janotti A, Cui XY, Himmetoglu B, Stampfl C, Van de Walle CG.  2015.  Structural and electronic properties of SrZrO 3 and Sr (Ti, Zr) O 3 alloys. Physical Review B. 92:085201.
Bjaalie L, Ouellette DG, Moetakef P, Cain TA, Janotti A, Himmetoglu B, Allen SJ, Stemmer S, Van de Walle CG.  2015.  Small hole polarons in rare-earth titanates. Applied Physics Letters. 106:232103.
Weston L, Bjaalie L, Krishnaswamy K, Van de Walle CG.  2018.  Origins of n-type doping difficulties in perovskite stannates. Physical Review B. 97:054112.
Tailor HD, Lyons JL, Dreyer CE, Janotti A, Van de Walle CG.  2016.  Impact of nitrogen and carbon on defect equilibrium in ZrO 2. Acta Materialia. 117:286–292.
Peelaers H, Krishnaswamy K, Gordon L, Steiauf D, Sarwe A, Janotti A, Van de Walle CG.  2015.  Impact of electric-field dependent dielectric constants on two-dimensional electron gases in complex oxides. Applied Physics Letters. 107:183505.
Varley JB, Janotti A, Van de Walle CG.  2014.  Hydrogenated vacancies and hidden hydrogen in SrTiO 3. Physical Review B. 89:075202.
Weston L, Janotti A, Cui XY, Stampfl C, Van de Walle CG.  2014.  Hybrid functional calculations of point defects and hydrogen in SrZrO 3. Physical Review B. 89:184109.
Gordon L, Lyons JL, Janotti A, Van de Walle CG.  2014.  Hybrid functional calculations of D X centers in AlN and GaN. Physical Review B. 89:085204.
Weston L, Wickramaratne D, Van de Walle CG.  2017.  Hole polarons and p-type doping in boron nitride polymorphs. Physical Review B. 96:100102.
Peelaers H, Kioupakis E, Van de Walle CG.  2015.  Free-carrier absorption in transparent conducting oxides: Phonon and impurity scattering in SnO 2. Physical Review B. 92:235201.
Krishnaswamy K, Dreyer CE, Janotti A, Van de Walle CG.  2015.  First-principles study of surface charging in LaAlO 3/SrTiO 3 heterostructures. Physical Review B. 92:085420.
Lyons JL, Varley JB, Steiauf D, Janotti A, Van de Walle CG.  2017.  First-principles characterization of native-defect-related optical transitions in ZnO. Journal of Applied Physics. 122:035704.
Lyons JL, Janotti A, Van de Walle CG.  2014.  Effects of hole localization on limiting p-type conductivity in oxide and nitride semiconductors. Journal of Applied Physics. 115:012014.
Lyons JL, Janotti A, Van de Walle CG.  2014.  Effects of carbon on the electrical and optical properties of InN, GaN, and AlN. Physical Review B. 89:035204.
Janotti A, Franchini C, Varley JB, Kresse G, Van de Walle CG.  2013.  Dual behavior of excess electrons in rutile TiO2. physica status solidi (RRL)-Rapid Research Letters. doi: 10.1002/pssr.201206464
Moses PG, Janotti A, Franchini C, Kresse G, Van de Walle CG.  2016.  Donor defects and small polarons on the TiO2 (110) surface. Journal of Applied Physics. 119:181503.
Varley JB, Janotti A, Van de Walle CG.  2016.  Defects in AlN as candidates for solid-state qubits. Physical Review B. 93:161201.
Gordon L, Janotti A, Van de Walle CG.  2015.  Defects as qubits in 3 C- and 4 H- SiC. Physical Review B. 92:045208.
Lyons JL, Alkauskas A, Janotti A, Van de Walle CG.  2017.  Deep donor state of the copper acceptor as a source of green luminescence in ZnO. Applied Physics Letters. 111:042101.
Janotti A, Bjaalie L, Gordon L, Van de Walle CG.  2012.  Controlling the density of the two-dimensional electron gas at the SrTiO3-LaAlO3 interface. Phys. Rev. B. 86(24):241108.
Peelaers H, Chabinyc ML, Van de Walle CG.  2017.  Controlling n-Type Doping in MoO3. Chemistry of Materials. 29:2563–2567.
Lyons JL, Steiauf D, Janotti A, Van de Walle CG.  2014.  Carbon as a Shallow Donor in Transparent Conducting Oxides. Physical Review Applied. 2:064005.

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