S. Lany

发表

Angle-resolved photoemission and quasiparticle calculation of ZnO: The need for d band shift in oxide semiconductors

A. Zunger, E. Rotenberg, M. Toney, 2012 .

Utilizing Site Disorder in the Development of New Energy-Relevant Semiconductors

G. Brennecka, S. Lany, E. Toberer, 2020 .

Roadmap on optical energy conversion

Aaswath Raman, Shanhui Fan, Volker J. Sorger, 2016 .

Title Roadmap on optical energy conversion Permalink

Noah D Bronstein, Mohammad H. Tahersima, Michael D. Wisser, 2016 .

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

A. Zunger, S. Lany, 2007, Physical review letters.

Assessment of correction methods for the band-gap problem and for finite-size effects in supercell defect calculations: Case studies for ZnO and GaAs

Alex Zunger, Stephan Lany, A. Zunger, 2008 .

Anion vacancies as a source of persistent photoconductivity in II-VI and chalcopyrite semiconductors

A. Zunger, S. Lany, 2005, cond-mat/0503018.

Vacancies in CdTe: experiment and theory

S. Lany, T. Wichert, V. Ostheimer, 2001 .

Metal-dimer atomic reconstruction leading to deep donor states of the anion vacancy in II-VI and chalcopyrite semiconductors.

A. Zunger, S. Lany, 2004, Physical review letters.

The 2019 materials by design roadmap

Aron Walsh, Alán Aspuru-Guzik, Lubos Mitas, 2018, Journal of physics D: Applied physics.

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

David J. Biagioni, G. Ceder, D. Ginley, 2016, The Journal of chemical physics.

The Failure of LDA and GGA to describe Relative Stability, Electronic Structure and Magnetism of MnN and (Ga,Mn)N Alloys

A. Zunger, S. Lany, Zhe Liu, 2008 .

Spin-orbit coupling effects on predicting defect properties with hybrid functionals: A case study in CdTe

S. Lany, W. Metzger, Jie Pan, 2018, Physical Review B.

Generalized Valence-Force-Field Model of (Ga,In)(N,P) Ternary Alloys

S. Lany, K. Biswas, A. Franceschetti, 2008 .

The role of disorder in the synthesis of metastable ternary nitrides

Kristin A. Persson, S. Lany, K. Heinselman, 2020 .

High-Throughput Experimental Study of Wurtzite Mn1–xZnxO Alloys for Water Splitting Applications

B. Gorman, D. Ginley, S. Lany, 2019, ACS omega.

Negative-pressure polymorphs made by heterostructural alloying

James J. Steffes, Lauren M. Garten, M. Toney, 2018, Science Advances.

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

A. Zunger, S. Lany, J. A. Chan, 2009, Physical review letters.

Experimental Synthesis and Properties of Metastable CuNbN2 and Theoretical Extension to Other Ternary Copper Nitrides

Minghui Yang, Francis J. DiSalvo, David S. Ginley, 2014 .

Experimental Synthesis and Properties of Metastable CuNbN2 and Theoretical Extension to Other Ternary Copper Nitrides.

Minghui Yang, D. Ginley, S. Lany, 2014 .

Control of the Electrical Properties in Spinel Oxides by Manipulating the Cation Disorder

M. Toney, P. Parilla, D. Ginley, 2014 .

Defect identification by means of electric field gradient calculation

S. Lany, T. Wichert, V. Ostheimer, 2001 .

Wild band edges: The role of bandgap grading and band-edge fluctuations in high-efficiency chalcogenide devices

Suhuai Wei, L. Mansfield, I. Repins, 2017, 2017 IEEE 44th Photovoltaic Specialist Conference (PVSC).

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

P. Parilla, S. Lany, E. Toberer, 2015, Physical chemistry chemical physics : PCCP.

Optical properties of the isoelectronic trap Hg in ZnO

S. Lany, M. Dietrich, T. Wichert, 2003 .

Band or Polaron: The Hole Conduction Mechanism in the p-Type Spinel Rh2ZnO4

A. Zunger, S. Lany, N. Perry, 2012 .

n-type doping of CuInSe2 and CuGaSe2

A. Zunger, Yu-Jun Zhao, S. Lany, 2005 .

Band-structure, optical properties, and defect physics of the photovoltaic semiconductor SnS

A. Zunger, S. Lany, J. Vidal, 2012 .

Light-and bias-induced metastabilities in based solar cells caused by the vacancy complex

A. Zunger, S. Lany, 2017 .

Self-regulated growth and tunable properties of CuSbS2 solar absorbers

S. Lany, C. Wolden, A. Zakutayev, 2015 .

Control of Doping in Cu2SnS3 through Defects and Alloying

Lauryn L. Baranowski, D. Ginley, S. Lany, 2014 .

Limitation of the open-circuit voltage due to metastable intrinsic defects in Cu(In,Ga)Se2 and strategies to avoid these defects

A. Zunger, S. Lany, 2008, 2008 33rd IEEE Photovoltaic Specialists Conference.

Computational discovery of two-dimensional rare-earth iodides: promising ferrovalley materials for valleytronics

S. Lany, Nirpendra Singh, A. Sharan, 2022, 2D Materials.

Experimental Synthesis of Theoretically Predicted Multivalent Ternary Nitride Materials

S. Lany, A. Zakutayev, S. Bauers, 2022, Chemistry of Materials.

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

S. Lany, Y. Qi, Jie Pan, 2017, ACS nano.

Composition Dependence of the Band Gap and Doping in Cu 2 O -Based Alloys as Predicted by an Extension of the Dilute-Defect Model

S. Lany, V. Stevanović, A. Zakutayev, 2014 .

Synthesis and Characterization of (Sn,Zn)O Alloys

S. Lany, A. Norman, A. Zakutayev, 2016 .

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

A. Zunger, S. Lany, J. Osorio-Guillén, 2008, Physical review letters.

Origins of the doping asymmetry in oxides : hole doping in NiO versus electron doping in ZnO

A. Zunger, J. Guillén, S. Lany, 2007 .

Iron Chalcogenide Photovoltaic Absorbers

A. Zunger, S. Lany, H. Platt, 2011 .

Monte Carlo Simulations of Disorder in ZnSnN2 and the Effects on the Electronic Structure

Angela N. Fioretti, S. Lany, E. Toberer, 2017 .

The effect of sub-oxide phases on the transparency of tin-doped gallium oxide

K. Lim, B. Gorman, M. Toney, 2016 .

Title Thermodynamic Routes to Novel Metastable Nitrogen-Rich Nitrides Permalink

G. Ceder, S. Lany, Bernardo Orvañanos, 2017 .

Many-body GW calculation of the oxygen vacancy in ZnO

A. Zunger, S. Lany, 2009, 0910.2962.

Using heterostructural alloying to tune the structure and properties of the thermoelectric Sn1−xCaxSe

B. Gorman, M. Toney, S. Lany, 2017 .

Li‐Doped Cr2MnO4: A New p‐Type Transparent Conducting Oxide by Computational Materials Design

A. Zunger, D. Ginley, S. Lany, 2013 .

Computational discovery of two-dimensional rare-earth iodides: promising ferrovalley materials for valleytronics

S. Lany, Nirpendra Singh, A. Sharan, 2022, 2D Materials.

Nonstoichiometry as a source of magnetism in otherwise nonmagnetic oxides : Magnetically interacting cation vacancies and their percolation

A. Zunger, S. Lany, S. Barabash, 2007 .

Magnetic Interactions of Cr-Cr and Co-Co Impurity Pairs in ZnO within a Band-Gap Corrected Density-Functional Approach

A. Zunger, S. Lany, H. Raebiger, 2008 .

Semiconducting transition-metal oxides based on d 5 cations: Theory for MnO and Fe 2 O 3

S. Lany, Haowei Peng, 2012 .

Semiconducting cubic titanium nitride in the Th 3 P 4 structure

S. Lany, T. Strobel, Hanyu Liu, 2018 .

S0884291419004023 972..980

Jun Liu, S. Lany, C. Musgrave, 2020 .

S0884291419004023 1..9

Jun Liu, S. Lany, C. Musgrave, 2020 .

Antimony nitride discovered by theoretical structure prediction, rapid thermal annealing, and in situ X-ray diffraction

M. Toney, S. Lany, L. Schelhas, 2022, Cell Reports Physical Science.

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

A. Zunger, S. Lany, 2011, Physical review letters.

Cation Off-Stoichiometry Leads to High p-Type Conductivity and Enhanced Transparency in Co2ZnO4 and Co2NiO4 Thin Films

A. Zunger, D. Ginley, S. Lany, 2012 .

Short-Range Order Tunes Optical Properties in Long-Range Disordered ZnSnN2–ZnO Alloy

S. Lany, D. Nordlund, E. Toberer, 2022, Chemistry of Materials.

Simulated Structural and Electronic Properties of Cation-Disordered ZnGeN S. Lany, M. Tellekamp, Jacob J. Cordell, 2022, Physical Review Applied.

Generalized Koopmans Density Functional Calculations Reveal the Deep Acceptor State of NO in ZnO

A. Zunger, S. Lany, 2010 .

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

A. Zunger, S. Lany, S. Barabash, 2006, Physical review letters.

Accelerated development of CuSbS2 thin film photovoltaic device prototypes

C. Dehart, S. Lany, C. Wolden, 2015, 1504.01345.

Nonstoichiometry and hole doping in NiO

A. Zunger, S. Lany, J. Osorio-Guillén, 2010 .

Perovskite-Inspired Photovoltaic Materials: Toward Best Practices in Materials Characterization and Calculations

Rachel C. Kurchin, F. C. Marques, Yiping Wang, 2017 .

Experimental Characterization of a Theoretically Designed Candidate p-Type Transparent Conducting Oxide: Li-Doped Cr2MnO4

M. Toney, S. Lany, K. Stone, 2014 .

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

Vladan Stevanović, Alex Zunger, Stephan Lany, 2014, Physical chemistry chemical physics : PCCP.

Evaluation of photovoltaic materials within the Cu-Sn-S family

Lauryn L. Baranowski, Eric S. Toberer, Haowei Peng, 2013 .

Polaronic Hole Localization and Multiple Hole Binding of Acceptors in Oxide Wide-Gap Semiconductors

A. Zunger, S. Lany, 2009, 0905.0018.

Semiconducting transition metal oxides

S. Lany, 2015, Journal of physics. Condensed matter : an Institute of Physics journal.

Metal chalcogenides for neuromorphic computing: emerging materials and mechanisms

S. Lany, M. Tellekamp, A. Ferguson, 2021, Nanotechnology.

Non-equilibrium synthesis, structure, and opto-electronic properties of Cu2−2xZnxO alloys

D. Ginley, S. Lany, A. Zakutayev, 2015, Journal of Materials Science.

Zn2SbN3: growth and characterization of a metastable photoactive semiconductor

G. Ceder, M. Toney, S. Lany, 2019, Materials Horizons.

Thin Film Synthesis of Semiconductors in the Mg–Sb–N Materials System

S. Lany, K. Heinselman, A. Zakutayev, 2019, Chemistry of Materials.

Solubility limits in quaternary SnTe-based alloys

P. Parilla, S. Lany, E. Toberer, 2017 .

A map of the inorganic ternary metal nitrides

Gerbrand Ceder, Michael F. Toney, Wenhao Sun, 2018, Nature Materials.

Ternary nitride semiconductors in the rocksalt crystal structure

G. Ceder, B. Gorman, S. Lany, 2018, Proceedings of the National Academy of Sciences.

Role of disorder in the synthesis of metastable zinc zirconium nitrides

Matthew K. Horton, Kristin A. Persson, S. Lany, 2020, Physical Review Materials.

Probing configurational disorder in ZnGeN2 using cluster-based Monte Carlo

S. Lany, A. Tamboli, Jie Pan, 2021 .

Wurtzite materials in alloys of rock salt compounds

S. Lany, C. Musgrave, Samantha L. Millican, 2020, Journal of Materials Research.

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

S. Lany, A. Tamboli, Jie Pan, 2019, Advanced materials.

Exciton photoluminescence and benign defect complex formation in zinc tin nitride

Angela N. Fioretti, S. Lany, E. Toberer, 2018 .

Redox-Mediated Stabilization in Zinc Molybdenum Nitrides.

Christopher J. Bartel, G. Ceder, B. Gorman, 2018, Journal of the American Chemical Society.

Band Edge Positions and Their Impact on the Simulated Device Performance of ZnSnN2-Based Solar Cells

Angela N. Fioretti, Kevin N. Wood, S. Lany, 2018, IEEE Journal of Photovoltaics.

Thermodynamic Routes to Novel Metastable Nitrogen-Rich Nitrides

Gerbrand Ceder, Bernardo Orvananos, Wenhao Sun, 2017 .

Electronic structures of Cu2O, Cu4O3, and CuO: A joint experimental and theoretical study

J. Pierson, F. Mücklich, S. Lany, 2016 .

n -type doping of CuIn Se 2 and CuGa Se 2

A. Zunger, Yu-Jun Zhao, S. Lany, 2005 .

Defect Tolerant Semiconductors for Solar Energy Conversion.

Angela N. Fioretti, Vladan Stevanovic, Stephan Lany, 2014, The journal of physical chemistry letters.

Conduction band position tuning and Ga-doping in (Cd,Zn)S alloy thin films

M. Young, S. Lany, E. Toberer, 2017 .

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

Angela N. Fioretti, S. Lany, D. Nordlund, 2016, Journal of applied physics.

Semiconducting properties of spinel tin nitride and other IV3N4 polymorphs

Wilson A. Smith, D. Ginley, S. Lany, 2015 .

Direct link between disorder, mobility and magnetoresistance in topological semimetals

M. Schilfgaarde, S. Lany, G. Teeter, 2022, 2206.10023.

Combinatorial investigation of structural and optical properties of cation-disordered ZnGeN2

S. Lany, E. Toberer, A. Tamboli, 2020 .

Combinatorial synthesis of magnesium tin nitride semiconductors.

S. Lany, A. Tamboli, M. Tellekamp, 2020, Journal of the American Chemical Society.

Origins of the p-Type Nature and Cation Deficiency in Cu2O and Related Materials

Alex Zunger, Stephan Lany, A. Zunger, 2007 .

The electronic structure of chalcopyrites—bands, point defects and grain boundaries

Susanne Siebentritt, Stephan Lany, Clas Persson, 2010 .

Enhanced Electron Mobility Due to Dopant‐Defect Pairing in Conductive ZnMgO

Ryan O'Hayre, John D. Perkins, David S. Ginley, 2014 .

Effects of disorder on carrier transport in Cu$_2$SnS$_3$

T. Unold, S. Lany, E. Toberer, 2015, 1504.01327.

Doping Rules and Doping Prototypes in A2BO4 Spinel Oxides

Alex Zunger, Stephan Lany, Mayeul d'Avezac, 2011 .

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

A. Zunger, S. Lany, H. Raebiger, 2008, Nature.

Multivalency of Group 15 Dopants in SnO2

S. Lany, J. Perkins, Haowei Peng, 2014 .

Identification of Ag-acceptors in 111Ag/111Cd doped ZnTe and CdTe

Herbert Wolf, Stephan Lany, M. Deicher, 2000 .

Perfect short-range ordered alloy with line-compound-like properties in the ZnSnN2:ZnO system

S. Lany, A. Tamboli, Jie Pan, 2020, npj Computational Materials.

A Computational Framework for Automation of Point Defect Calculations

Vladan Stevanovic, Anuj Goyal, Haowei Peng, 2016, 1611.00825.

Correcting Density Functional Theory for Accurate Predictions of Compound Enthalpies of Formation:Fitted elemental-phase Reference Energies (FERE)

Vladan Stevanović, Alex Zunger, Stephan Lany, 2012 .

Accurate prediction of defect properties in density functional supercell calculations

Alex Zunger, Stephan Lany, A. Zunger, 2009 .

Design of Semiconducting Tetrahedral Mn 1 − x Zn x O Alloys and Their Application to Solar Water Splitting

Paul F. Ndione, Haowei Peng, David S. Ginley, 2015 .

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

Ashley R. Marshall, S. Lany, J. Luther, 2016, ACS nano.

Pathway to oxide photovoltaics via band-structure engineering of SnO

S. Lany, A. Zakutayev, Haowei Peng, 2015, 1504.01168.

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

A. Zunger, A. Shluger, S. Lany, 2012, Physical review letters.

A review of defects and disorder in multinary tetrahedrally bonded semiconductors

S. Lany, E. Toberer, A. Zakutayev, 2016 .

The electronic consequences of multivalent elements in inorganic solar absorbers: Multivalency of Sn in Cu2ZnSnS4

A. Zunger, S. Lany, K. Biswas, 2010 .

Light- and bias-induced metastabilities in Cu(In,Ga)Se2 based solar cells caused by the (VSe-VCu) vacancy complex

Alex Zunger, Stephan Lany, A. Zunger, 2006 .

Wild band edges: The role of bandgap grading and band-edge fluctuations in high-efficiency chalcogenide devices

L. Mansfield, I. Repins, Stephen Glynn, 2016, 2016 IEEE 43rd Photovoltaic Specialists Conference (PVSC).

Semiconductor Thermochemistry in Density Functional Calculations

Stephan Lany, S. Lany, 2008 .

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

Vladan Stevanović, Christopher J. Bartel, William Tumas, 2018, Nature Communications.

Using design principles to systematically plan the synthesis of hole-conducting transparent oxides: Cu3VO4 and Ag3VO4 as a case study

A. Zunger, A. Freeman, S. Lany, 2011 .

Halogen n-type doping of chalcopyrite semiconductors

A. Zunger, Yu-Jun Zhao, S. Lany, 2005 .

The quest for dilute ferromagnetism in semiconductors: Guides and misguides by theory

A. Zunger, S. Lany, H. Raebiger, 2010 .

Non-equilibrium alloying controls optoelectronic properties in Cu2O thin films for photovoltaic absorber applications

S. Lany, V. Stevanović, A. Zakutayev, 2015 .

Band-Structure Calculations for the 3d Transition Metal Oxides in GW

S. Lany, 2013 .

Characterization of defects in copper antimony disulfide

S. Lany, P. Dippo, A. Zakutayev, 2017 .

ZnxMn1–xO Solid Solutions in the Rocksalt Structure: Optical, Charge Transport, and Photoelectrochemical Properties

Candace K. Chan, S. Lany, Yiqun Liu, 2018 .

Investigating the Electronic Structure of Prospective Water-Splitting Oxide BaCe0.25Mn0.75O3−δ before and after Thermal Reduction

E. Coker, S. Lany, Subhayan Roychoudhury, 2022, Chemistry of Materials.

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

Liping Yu, Thomas O. Mason, Alex Zunger, 2013, Journal of the American Chemical Society.

The role of decomposition reactions in assessing first-principles predictions of solid stability

Christopher J. Bartel, S. Lany, C. Musgrave, 2018, npj Computational Materials.

Structural and electronic modification of photovoltaic SnS by alloying

S. Lany, J. Vidal, R. Kokenyesi, 2014 .

Bandgap analysis and carrier localization in cation-disordered ZnGeN2

S. Lany, G. Tucker, A. Tamboli, 2021, APL Materials.

Role of cation disorder in carrier localization and density of states in ZnGeN2

S. Lany, A. Tamboli, G. Tucker, 2021 .

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

S. Lany, 2018, The Journal of chemical physics.

Defect phase diagram for doping of Ga2O3

S. Lany, 2018 .

Selection Metric for Photovoltaic Materials Screening Based on Detailed-Balance Analysis

Thomas Kirchartz, Uwe Rau, Beatrix Blank, 2017 .

Roadmap Roadmap on optical energy conversion

Noah D Bronstein, Mohammad H. Tahersima, Michael D. Wisser, 2016 .

Predicting polaronic defect states by means of generalized Koopmans density functional calculations

S. Lany, 2011 .

Compositionally Complex Perovskite Oxides for Solar Thermochemical Water Splitting

Michael A. Rodriguez, A. McDaniel, E. Coker, 2022, Chemistry of Materials.

Dual nature of acceptors in GaN and ZnO: The curious case of the shallow MgGa deep state

A. Zunger, S. Lany, 2010 .

Formation of 6H-Ba3Ce0.75Mn2.25O9 during Thermochemical Reduction of 12R-Ba4CeMn3O12: Identification of a Polytype in the Ba(Ce,Mn)O3 Family.

E. Coker, D. Ginley, S. Lany, 2022, Inorganic chemistry.

Electronic structure, donor and acceptor transitions, and magnetism of 3d impurities in In2O3 and ZnO

A. Zunger, S. Lany, H. Raebiger, 2009 .

Combinatorial Synthesis of Cation-Disordered Manganese Tin Nitride MnSnN2 Thin Films with Magnetic and Semiconducting Properties

S. Lany, A. Tamboli, J. Neilson, 2022, Chemistry of Materials.

Computational discovery of stable and metastable ternary oxynitrides.

S. Lany, A. Sharan, 2021, The Journal of chemical physics.

Computational Fermi level engineering and doping-type conversion of Mg:Ga2O3 via three-step synthesis process

S. Lany, A. Zakutayev, V. Stevanovi'c, 2021, 2103.16639.

CuSbSe2 photovoltaic devices with 3% efficiency

Stephan Lany, Andriy Zakutayev, S. Lany, 2015, 1505.02311.

Inverse design approach to hole doping in ternary oxides: Enhancing p-type conductivity in cobalt oxide spinels

John D. Perkins, Matthew Grayson, Paul F. Ndione, 2011 .

Why can CuInSe2 be readily equilibrium-doped n-type but the wider-gap CuGaSe2 cannot?

A. Zunger, Yu-Jun Zhao, S. Lany, 2004 .

Polymorphism, band-structure, band-lineup, and alloy energetics of the group II oxides and sulfides MgO, ZnO, CdO, MgS, ZnS, CdS

Stephan Lany, S. Lany, 2014, Photonics West - Optoelectronic Materials and Devices.

Intrinsic DX centers in ternary chalcopyrite semiconductors.

Alex Zunger, Stephan Lany, A. Zunger, 2008, Physical review letters.

Trade‐Offs in Thin Film Solar Cells with Layered Chalcostibite Photovoltaic Absorbers

T. Unold, S. Lany, H. Hempel, 2017 .

Non-equilibrium origin of high electrical conductivity in gallium zinc oxide thin films

Thomas O. Mason, David S. Ginley, Stephan Lany, 2013 .

Asymmetric Cation stoichiometry in Spinels : Site occupancy in Co$_{2}$ZnO$_{4}$ and Rh$_{2}$ZnO$_{4}$

A. Zunger, M. Toney, D. Ginley, 2011 .

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

S. Lany, T. Wichert, H. Wolf, 2004, Physical review letters.

Intrinsic defects in ZnO calculated by screened exchange and hybrid density functionals

John Robertson, Alex Zunger, Stewart J. Clark, 2010 .

Atomically thin interlayer phase from first principles enables defect-free incommensurate SnO2/CdTe interface

S. Lany, M. Nardone, Nirpendra Singh, 2022, Applied Physics Reviews.

Entropy-Driven Clustering in Tetrahedrally Bonded Multinary Materials

S. Lany, A. Zakutayev, P. Zawadzki, 2015 .

Non-equilibrium deposition of phase pure Cu2O thin films at reduced growth temperature

Ryan O'Hayre, John D. Perkins, Vladan Stevanović, 2014 .

Accelerated development of CuSbS 2 thin film photovoltaic device prototypes : Accelerated development of CuSbS 2 thin film photovoltaic device prototypes

C. Dehart, S. Lany, C. Wolden, 2016 .

Convergence of density and hybrid functional defect calculations for compound semiconductors

Vladan Stevanović, Haowei Peng, Stephan Lany, 2013 .

Surface origin of high conductivities in undoped In2O3 thin films.

A. Zunger, D. Ginley, S. Lany, 2012, Physical review letters.

Templated Growth of Metastable Polymorphs on Amorphous Substrates with Seed Layers

M. Young, S. Lany, C. Musgrave, 2020, Physical Review Applied.

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

A. Zunger, S. Lany, H. Raebiger, 2007, Physical review letters.

Accurate prediction of oxygen vacancy concentration with disordered A-site cations in high-entropy perovskite oxides

S. Lany, Jie Pan, Dawei Zhang, 2023, npj Computational Materials.

Zinc-Stabilized Manganese Telluride with Wurtzite Crystal Structure

S. Lany, A. Zakutayev, Yanbing Han, 2018, The Journal of Physical Chemistry C.

Design of Metastable Tin Titanium Nitride Semiconductor Alloys

B. Gorman, S. Lany, W. Tumas, 2017 .

First principles predictions of SnO2/CdTe and SnO2/CdCl2/CdTe interface structures

S. Lany, A. Sharan, 2021, 2021 IEEE 48th Photovoltaic Specialists Conference (PVSC).

Novel phase diagram behavior and materials design in heterostructural semiconductor alloys

B. Gorman, M. Toney, R. Gordon, 2017, Science Advances.

Polymorphic energy ordering of MgO, ZnO, GaN, and MnO within the random phase approximation

S. Lany, Haowei Peng, 2013 .

Modeling amorphous thin films: Kinetically limited minimization

S. Lany, J. Perkins, P. Zawadzki, 2014 .

Exploring the Phase Space of Zn2SbN3, a Novel Semiconducting Nitride

G. Brennecka, S. Lany, A. Tamboli, 2021, Journal of Materials Chemistry C.

Co 3O 4-Co 2ZnO 4 spinels: The case for a solid solution

A. Zunger, M. Toney, S. Lany, 2012 .

Pb-apatite framework as a generator of novel flat-band CuO based physics, including possible room temperature superconductivity

M. Schilfgaarde, S. Lany, D. Dessau, 2023, 2308.00698.

Prediction of A2BX4 metal-chalcogenide compounds via first-principles thermodynamics

Vladan Stevanović, Alex Zunger, Stephan Lany, 2012 .

Defect interactions of group-I elements in cubic II-VI compounds

S. Lany, T. Wichert, V. Ostheimer, 2003 .

Group V acceptors in CdTe: Ab initio calculation of lattice relaxation and the electric-field gradient

P. Blaha, S. Lany, T. Wichert, 2000 .

Photoluminescence study of II-VI semiconductors by using radioactive 71As dopants

S. Lany, T. Wichert, V. Ostheimer, 2001 .

Identification of Defects in Semiconductors via their Electric Field Gradients

S. Lany, T. Wichert, 2001 .

Defect complexes formed with Ag atoms in CdTe, ZnTe, and ZnSe

S. Lany, T. Wichert, V. Ostheimer, 2000 .

Quantum-dot intermediate-band solar cells with inverted band alignment

S. Lany, G. Bester, A. Franceschetti, 2008 .

Electron scattering mechanisms in polycrystalline sputtered zinc tin oxynitride thin films

M. Young, S. Lany, Jie Pan, 2019, Journal of Applied Physics.

Computational Materials Design: Interplay between Composition, Electronic Structure, Disorder, and Doping due to Dual Sublattice Mixing in Nonequilibrium Synthesis of ZnSnN 2 :O (Adv. Mater. 11/2019)

S. Lany, A. Tamboli, Jie Pan, 2019, Advanced Materials.

Defect graph neural networks for materials discovery in high-temperature clean-energy applications

A. McDaniel, S. Lany, M. Witman, 2023, Nature Computational Science.

Pb-apatite framework as a generator of novel flat-band CuO based physics

M. Schilfgaarde, S. Lany, D. Dessau, 2023, 2308.00698.

Multiple Slater determinants and strong spin-fluctuations as key ingredients of the electronic structure of electron- and hole-doped Pb$_{10-x}$Cu$_x$(PO4)$_6$O

M. Schilfgaarde, S. Lany, D. Dessau, 2023, 2308.09900.

Oxidation numbers as Social Security Numbers: Are they predictive or postdictive?

A. Zunger, S. Lany, R. Resta, 2009 .

Electronic structures of Cu 2 O , Cu 4 O 3 , and CuO : A joint experimental and theoretical study

J. Pierson, F. Mücklich, S. Lany, 2019 .

n-type doping principles for doping CuInSe/sub 2/ and CuGaSe/sub 2/ with Cl, Br, I, Mg, Zn, and Cd

A. Zunger, Yu-Jun Zhao, S. Lany, 2005, Conference Record of the Thirty-first IEEE Photovoltaic Specialists Conference, 2005..

Simulation and characterization of cation disorder in $$\hbox {ZnGeP}_{2}$$ ZnGeP 2

M. Toney, S. Lany, A. Tamboli, 2022, Journal of Materials Research.