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Items: 32

1.

Ternary nitride semiconductors in the rocksalt crystal structure.

Bauers SR, Holder A, Sun W, Melamed CL, Woods-Robinson R, Mangum J, Perkins J, Tumas W, Gorman B, Tamboli A, Ceder G, Lany S, Zakutayev A.

Proc Natl Acad Sci U S A. 2019 Jul 3. pii: 201904926. doi: 10.1073/pnas.1904926116. [Epub ahead of print]

PMID:
31270238
2.

A map of the inorganic ternary metal nitrides.

Sun W, Bartel CJ, Arca E, Bauers SR, Matthews B, Orvañanos B, Chen BR, Toney MF, Schelhas LT, Tumas W, Tate J, Zakutayev A, Lany S, Holder AM, Ceder G.

Nat Mater. 2019 Jul;18(7):732-739. doi: 10.1038/s41563-019-0396-2. Epub 2019 Jun 17.

PMID:
31209391
3.

Interplay between Composition, Electronic Structure, Disorder, and Doping due to Dual Sublattice Mixing in Nonequilibrium Synthesis of ZnSnN2 :O.

Pan J, Cordell J, Tucker GJ, Tamboli AC, Zakutayev A, Lany S.

Adv Mater. 2019 Mar;31(11):e1807406. doi: 10.1002/adma.201807406. Epub 2019 Jan 22.

PMID:
30672031
4.

Electron Doping of Proposed Kagome Quantum Spin Liquid Produces Localized States in the Band Gap.

Liu Q, Yao Q, Kelly ZA, Pasco CM, McQueen TM, Lany S, Zunger A.

Phys Rev Lett. 2018 Nov 2;121(18):186402. doi: 10.1103/PhysRevLett.121.186402.

PMID:
30444389
5.

Physical descriptor for the Gibbs energy of inorganic crystalline solids and temperature-dependent materials chemistry.

Bartel CJ, Millican SL, Deml AM, Rumptz JR, Tumas W, Weimer AW, Lany S, Stevanović V, Musgrave CB, Holder AM.

Nat Commun. 2018 Oct 9;9(1):4168. doi: 10.1038/s41467-018-06682-4.

6.

Negative-pressure polymorphs made by heterostructural alloying.

Siol S, Holder A, Steffes J, Schelhas LT, Stone KH, Garten L, Perkins JD, Parilla PA, Toney MF, Huey BD, Tumas W, Lany S, Zakutayev A.

Sci Adv. 2018 Apr 20;4(4):eaaq1442. doi: 10.1126/sciadv.aaq1442. eCollection 2018 Apr.

7.

Redox-Mediated Stabilization in Zinc Molybdenum Nitrides.

Arca E, Lany S, Perkins JD, Bartel C, Mangum J, Sun W, Holder A, Ceder G, Gorman B, Teeter G, Tumas W, Zakutayev A.

J Am Chem Soc. 2018 Mar 28;140(12):4293-4301. doi: 10.1021/jacs.7b12861. Epub 2018 Mar 14.

8.

Communication: The electronic entropy of charged defect formation and its impact on thermochemical redox cycles.

Lany S.

J Chem Phys. 2018 Feb 21;148(7):071101. doi: 10.1063/1.5022176.

PMID:
29471665
9.

Optically induced metastability in Cu(In,Ga)Se2.

Jensen SA, Kanevce A, Mansfield LM, Glynn S, Lany S, Kuciauskas D.

Sci Rep. 2017 Oct 23;7(1):13788. doi: 10.1038/s41598-017-14344-6.

10.

Computationally Driven Two-Dimensional Materials Design: What Is Next?

Pan J, Lany S, Qi Y.

ACS Nano. 2017 Aug 22;11(8):7560-7564. doi: 10.1021/acsnano.7b04327. Epub 2017 Jul 17.

PMID:
28715167
11.

Novel phase diagram behavior and materials design in heterostructural semiconductor alloys.

Holder AM, Siol S, Ndione PF, Peng H, Deml AM, Matthews BE, Schelhas LT, Toney MF, Gordon RG, Tumas W, Perkins JD, Ginley DS, Gorman BP, Tate J, Zakutayev A, Lany S.

Sci Adv. 2017 Jun 7;3(6):e1700270. doi: 10.1126/sciadv.1700270. eCollection 2017 Jun.

12.

Understanding and Control of Bipolar Self-Doping in Copper Nitride.

Fioretti AN, Schwartz CP, Vinson J, Nordlund D, Prendergast D, Tamboli AC, Caskey CM, Tuomisto F, Linez F, Christensen ST, Toberer ES, Lany S, Zakutayev A.

J Appl Phys. 2016 May 14;119(18). pii: 181508. Epub 2016 May 5.

13.

Synthesis of a mixed-valent tin nitride and considerations of its possible crystal structures.

Caskey CM, Holder A, Shulda S, Christensen ST, Diercks D, Schwartz CP, Biagioni D, Nordlund D, Kukliansky A, Natan A, Prendergast D, Orvananos B, Sun W, Zhang X, Ceder G, Ginley DS, Tumas W, Perkins JD, Stevanovic V, Pylypenko S, Lany S, Richards RM, Zakutayev A.

J Chem Phys. 2016 Apr 14;144(14):144201. doi: 10.1063/1.4945561.

14.

Revisiting the Valence and Conduction Band Size Dependence of PbS Quantum Dot Thin Films.

Miller EM, Kroupa DM, Zhang J, Schulz P, Marshall AR, Kahn A, Lany S, Luther JM, Beard MC, Perkins CL, van de Lagemaat J.

ACS Nano. 2016 Mar 22;10(3):3302-11. doi: 10.1021/acsnano.5b06833. Epub 2016 Feb 26.

PMID:
26895310
15.

Effect of extended strain fields on point defect phonon scattering in thermoelectric materials.

Ortiz BR, Peng H, Lopez A, Parilla PA, Lany S, Toberer ES.

Phys Chem Chem Phys. 2015 Jul 15;17(29):19410-23. doi: 10.1039/c5cp02174j.

PMID:
26145414
16.

Semiconducting transition metal oxides.

Lany S.

J Phys Condens Matter. 2015 Jul 22;27(28):283203. doi: 10.1088/0953-8984/27/28/283203. Epub 2015 Jun 30.

PMID:
26126022
17.

Defect Tolerant Semiconductors for Solar Energy Conversion.

Zakutayev A, Caskey CM, Fioretti AN, Ginley DS, Vidal J, Stevanovic V, Tea E, Lany S.

J Phys Chem Lett. 2014 Apr 3;5(7):1117-25. doi: 10.1021/jz5001787. Epub 2014 Mar 18.

PMID:
26274458
18.

Assessing capability of semiconductors to split water using ionization potentials and electron affinities only.

Stevanović V, Lany S, Ginley DS, Tumas W, Zunger A.

Phys Chem Chem Phys. 2014 Feb 28;16(8):3706-14. doi: 10.1039/c3cp54589j.

PMID:
24419486
19.

Theoretical prediction and experimental realization of new stable inorganic materials using the inverse design approach.

Zakutayev A, Zhang X, Nagaraja A, Yu L, Lany S, Mason TO, Ginley DS, Zunger A.

J Am Chem Soc. 2013 Jul 10;135(27):10048-54. doi: 10.1021/ja311599g. Epub 2013 Jul 1.

PMID:
23672376
20.

Two-dimensional polaronic behavior in the binary oxides m-HfO2 and m-ZrO2.

McKenna KP, Wolf MJ, Shluger AL, Lany S, Zunger A.

Phys Rev Lett. 2012 Mar 16;108(11):116403. Epub 2012 Mar 14.

PMID:
22540495
21.

Surface origin of high conductivities in undoped In2O3 thin films.

Lany S, Zakutayev A, Mason TO, Wager JF, Poeppelmeier KR, Perkins JD, Berry JJ, Ginley DS, Zunger A.

Phys Rev Lett. 2012 Jan 6;108(1):016802. Epub 2012 Jan 5.

PMID:
22304278
22.

Comment on "Intrinsic n-type behavior in transparent conducting oxides: a comparative hybrid-functional study of In2O3, SnO2, and ZnO".

Lany S, Zunger A.

Phys Rev Lett. 2011 Feb 11;106(6):069601; author reply 069602. Epub 2011 Feb 10. No abstract available.

PMID:
21405501
23.

Electronic correlation in anion p orbitals impedes ferromagnetism due to cation vacancies in Zn chalcogenides.

Chan JA, Lany S, Zunger A.

Phys Rev Lett. 2009 Jul 3;103(1):016404. Epub 2009 Jul 2.

PMID:
19659163
24.

Control of ferromagnetism via electron doping in In2O3:Cr.

Raebiger H, Lany S, Zunger A.

Phys Rev Lett. 2008 Jul 11;101(2):027203. Epub 2008 Jul 7.

PMID:
18764222
25.

Charge self-regulation upon changing the oxidation state of transition metals in insulators.

Raebiger H, Lany S, Zunger A.

Nature. 2008 Jun 5;453(7196):763-6. doi: 10.1038/nature07009.

PMID:
18528391
26.

Atomic control of conductivity versus ferromagnetism in wide-gap oxides via selective doping: V, Nb, Ta in anatase TiO2.

Osorio-Guillén J, Lany S, Zunger A.

Phys Rev Lett. 2008 Jan 25;100(3):036601. Epub 2008 Jan 23.

PMID:
18233014
27.

Intrinsic DX centers in ternary chalcopyrite semiconductors.

Lany S, Zunger A.

Phys Rev Lett. 2008 Jan 11;100(1):016401. Epub 2008 Jan 3.

PMID:
18232792
28.

Impurity clustering and ferromagnetic interactions that are not carrier induced in dilute magnetic semiconductors: the case of Cu2O:Co.

Raebiger H, Lany S, Zunger A.

Phys Rev Lett. 2007 Oct 19;99(16):167203. Epub 2007 Oct 18.

PMID:
17995286
29.

Dopability, intrinsic conductivity, and nonstoichiometry of transparent conducting oxides.

Lany S, Zunger A.

Phys Rev Lett. 2007 Jan 26;98(4):045501. Epub 2007 Jan 23.

PMID:
17358784
30.

Magnetism without magnetic ions: percolation, exchange, and formation energies of magnetism-promoting intrinsic defects in CaO.

Osorio-Guillén J, Lany S, Barabash SV, Zunger A.

Phys Rev Lett. 2006 Mar 17;96(10):107203. Epub 2006 Mar 14.

PMID:
16605786
31.
32.

Density functional theory calculations establish the experimental evidence of the DX center atomic structure in CdTe.

Lany S, Wolf H, Wichert T.

Phys Rev Lett. 2004 Jun 4;92(22):225504. Epub 2004 Jun 4.

PMID:
15245236

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