Publications
Filters: Author is Van de Walle, CG [Clear All Filters]
Controlling the density of the two-dimensional electron gas at the SrTiO3-LaAlO3 interface. Phys. Rev. B. 86(24):241108.
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2012. Ambipolar doping in SnO. Applied Physics Letters. 103:082118.
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2013. Dual behavior of excess electrons in rutile TiO2. physica status solidi (RRL)-Rapid Research Letters. doi: 10.1002/pssr.201206464
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2013. Band alignment at band-insulator/Mott-insulator interfaces. physica status solidi (RRL)-Rapid Research Letters.
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2014. Carbon as a Shallow Donor in Transparent Conducting Oxides. Physical Review Applied. 2:064005.
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2014. Effects of carbon on the electrical and optical properties of InN, GaN, and AlN. Physical Review B. 89:035204.
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2014. Effects of hole localization on limiting p-type conductivity in oxide and nitride semiconductors. Journal of Applied Physics. 115:012014.
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2014. Hybrid functional calculations of D X centers in AlN and GaN. Physical Review B. 89:085204.
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2014. Hybrid functional calculations of point defects and hydrogen in SrZrO 3. Physical Review B. 89:184109.
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2014. Hydrogenated vacancies and hidden hydrogen in SrTiO 3. Physical Review B. 89:075202.
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2014. Structure and energetics of LaAlO 3 (001) surfaces. Physical Review B. 90:235436.
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2014. Turning SrTiO 3 into a Mott insulator. Physical Review B. 90:195117.
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2014. Brittle fracture toughnesses of GaN and AlN from first-principles surface-energy calculations. Applied Physics Letters. 106:212103.
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2015. Defects as qubits in 3 C- and 4 H- SiC. Physical Review B. 92:045208.
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2015. First-principles study of surface charging in LaAlO 3/SrTiO 3 heterostructures. Physical Review B. 92:085420.
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2015. Free-carrier absorption in transparent conducting oxides: Phonon and impurity scattering in SnO 2. Physical Review B. 92:235201.
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2015. Impact of electric-field dependent dielectric constants on two-dimensional electron gases in complex oxides. Applied Physics Letters. 107:183505.
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2015. Small hole polarons in rare-earth titanates. Applied Physics Letters. 106:232103.
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2015. Structural and electronic properties of SrZrO 3 and Sr (Ti, Zr) O 3 alloys. Physical Review B. 92:085201.
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2015. Defects in AlN as candidates for solid-state qubits. Physical Review B. 93:161201.
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2016. Donor defects and small polarons on the TiO2 (110) surface. Journal of Applied Physics. 119:181503.
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2016. Impact of nitrogen and carbon on defect equilibrium in ZrO 2. Acta Materialia. 117:286–292.
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2016. Surprising stability of neutral interstitial hydrogen in diamond and cubic BN. Journal of Physics: Condensed Matter. 28:06LT01.
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2016. Acceptor doping in the proton conductor SrZrO 3. Physical Chemistry Chemical Physics. 19:11485–11491.
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2017. Controlling n-Type Doping in MoO3. Chemistry of Materials. 29:2563–2567.
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2017.