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Sanjay V. Khare - Publications

Affiliations: 
Physics and Astronomy The University of Toledo 
Area:
Materials Science Engineering, Condensed Matter Physics
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49 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Wang B, Zhang M, Adhikari V, Fang P, Khare SV, Gall D. Bandgap and strain engineering in epitaxial rocksalt structure (Ti0.5Mg0.5)1−xAlxN(001) semiconductors Journal of Materials Chemistry C. DOI: 10.1039/D0Tc03598J  0.326
2019 Szymanski NJ, Adhikari V, Willard MA, Sarin P, Gall D, Khare SV. Prediction of improved magnetization and stability in Fe16N2 through alloying Journal of Applied Physics. 126: 093903. DOI: 10.1063/1.5109571  0.328
2019 Adhikari V, Szymanski N, Khatri I, Gall D, Khare S. First principles investigation into the phase stability and enhanced hardness of TiN-ScN and TiN-YN alloys Thin Solid Films. 688: 137284. DOI: 10.1016/J.Tsf.2019.05.003  0.381
2019 Dumre B, Szymanski N, Adhikari V, Khatri I, Gall D, Khare S. Improved optoelectronic properties in CdSexTe1−x through controlled composition and short-range order Solar Energy. 194: 742-750. DOI: 10.1016/J.Solener.2019.10.091  0.363
2018 Szymanski NJ, Walters L, Hellman O, Gall D, Khare SV. Dynamical stabilization in delafossite nitrides for solar energy conversion Journal of Materials Chemistry A. 6: 20852-20860. DOI: 10.1039/C8Ta07536K  0.326
2018 Adhikari V, Liu Z, Szymanski N, Khatri I, Gall D, Sarin P, Khare S. First-principles study of mechanical and magnetic properties of transition metal (M) nitrides in the cubic M4N structure Journal of Physics and Chemistry of Solids. 120: 197-206. DOI: 10.1016/J.Jpcs.2018.04.043  0.348
2018 Szymanski N, Liu Z, Alderson T, Podraza N, Sarin P, Khare S. Electronic and optical properties of vanadium oxides from first principles Computational Materials Science. 146: 310-318. DOI: 10.1016/J.Commatsci.2018.01.048  0.338
2018 Liu Z, Podraza N, Khare S, Sarin P. Transparency enhancement for SrVO3 by SrTiO3 mixing: A first-principles study Computational Materials Science. 144: 139-146. DOI: 10.1016/J.Commatsci.2017.12.020  0.334
2018 Balasubramanian K, Khare SV, Gall D. Energetics of point defects in rocksalt structure transition metal nitrides: Thermodynamic reasons for deviations from stoichiometry Acta Materialia. 159: 77-88. DOI: 10.1016/J.Actamat.2018.07.074  0.351
2018 Balasubramanian K, Khare SV, Gall D. Valence electron concentration as an indicator for mechanical properties in rocksalt structure nitrides, carbides and carbonitrides Acta Materialia. 152: 175-185. DOI: 10.1016/J.Actamat.2018.04.033  0.363
2016 Efthimiopoulos I, Liu ZTY, Khare SV, Sarin P, Tsurkan V, Loidl A, Popov D, Wang Y. Structural transition in the magnetoelectric ZnC r2 S e4 spinel under pressure Physical Review B - Condensed Matter and Materials Physics. 93. DOI: 10.1103/Physrevb.93.174103  0.321
2016 Wang Y, Liu ZTY, Khare SV, Collins SA, Zhang J, Wang L, Zhao Y. Thermal equation of state of silicon carbide Applied Physics Letters. 108. DOI: 10.1063/1.4941797  0.307
2016 Ozsdolay BD, Mulligan CP, Balasubramanian K, Huang L, Khare SV, Gall D. Cubic β-WNx layers: Growth and properties vs N-to-W ratio Surface and Coatings Technology. 304: 98-107. DOI: 10.1016/J.Surfcoat.2016.06.079  0.325
2016 Zhang K, Balasubramanian K, Ozsdolay BD, Mulligan CP, Khare SV, Zheng WT, Gall D. Growth and mechanical properties of epitaxial NbN(001) films on MgO(001) Surface and Coatings Technology. 288: 105-114. DOI: 10.1016/J.Surfcoat.2016.01.009  0.335
2016 Liu ZTY, Burton BP, Khare SV, Sarin P. First-principles phase diagram calculations for the carbonate quasibinary systems CaCO3-ZnCO3, CdCO3-ZnCO3, CaCO3-CdCO3 and MgCO3-ZnCO3 Chemical Geology. 443: 137-145. DOI: 10.1016/J.Chemgeo.2016.09.024  0.314
2015 Deng R, Ozsdolay BD, Zheng PY, Khare SV, Gall D. Optical and transport measurement and first-principles determination of the ScN band gap Physical Review B - Condensed Matter and Materials Physics. 91. DOI: 10.1103/Physrevb.91.045104  0.317
2015 Zhang K, Balasubramanian K, Ozsdolay BD, Mulligan CP, Khare SV, Zheng WT, Gall D. Epitaxial NbCxN1-x(001) layers: Growth, mechanical properties, and electrical resistivity Surface and Coatings Technology. 277: 136-143. DOI: 10.1016/J.Surfcoat.2015.07.025  0.305
2014 Liu ZT, Zhou X, Khare SV, Gall D. Structural, mechanical and electronic properties of 3d transition metal nitrides in cubic zincblende, rocksalt and cesium chloride structures: a first-principles investigation. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 26: 025404. PMID 24305607 DOI: 10.1088/0953-8984/26/2/025404  0.328
2014 Liu ZTY, Gall D, Khare SV. Electronic and bonding analysis of hardness in pyrite-type transition-metal pernitrides Physical Review B - Condensed Matter and Materials Physics. 90. DOI: 10.1103/Physrevb.90.134102  0.351
2014 Roehl JL, Y Liu ZT, Khare SV. Diffusion in CdS of Cd and S vacancies and Cu, Cd, Cl, S and Te interstitials studied with first-principles computations Materials Research Express. 1. DOI: 10.1088/2053-1591/1/2/025904  0.719
2014 Jiang N, Roehl JL, Khare SV, Georgiev DG, Jayatissa AH. An ab initio computational study of pure Zn3N2 and its native point defects and dopants Cu, Ag and Au Thin Solid Films. 564: 331-338. DOI: 10.1016/J.Tsf.2014.05.032  0.734
2014 Roehl JL, Khare SV. Diffusion of Te vacancy and interstitials of Te, Cl, O, S, P and Sb in CdTe: A density functional theory study Solar Energy Materials and Solar Cells. 128: 343-350. DOI: 10.1016/J.Solmat.2014.05.045  0.753
2014 Gunaicha PP, Gangam S, Roehl JL, Khare SV. Structural, energetic and elastic properties of Cu2ZnSn(SxSe1-x)4 (x=1, 0.75, 0.5, 0.25, 0) alloys from first-principles computations Solar Energy. 102: 276-281. DOI: 10.1016/J.Solener.2014.01.015  0.734
2014 Roehl JL, Khare SV. Diffusion of Cd vacancy and interstitials of Cd, Cu, Ag, Au and Mo in CdTe: A first principles investigation Solar Energy. 101: 245-253. DOI: 10.1016/J.Solener.2013.12.017  0.76
2014 Zhou X, Gall D, Khare SV. Mechanical properties and electronic structure of anti-ReO3 structured cubic nitrides, M3N, of d block transition metals M: An ab initio study Journal of Alloys and Compounds. 595: 80-86. DOI: 10.1016/J.Jallcom.2014.01.116  0.351
2014 Liu ZTY, Zhou X, Gall D, Khare SV. First-principles investigation of the structural, mechanical and electronic properties of the NbO-structured 3d, 4d and 5d transition metal nitrides Computational Materials Science. 84: 365-373. DOI: 10.1016/J.Commatsci.2013.12.038  0.346
2013 Zhou X, Roehl JL, Lind C, Khare SV. Study of B1 (NaCl-type) to B2 (CsCl-type) pressure-induced structural phase transition in BaS, BaSe and BaTe using ab initio computations. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 25: 075401. PMID 23341436 DOI: 10.1088/0953-8984/25/7/075401  0.731
2012 Roehl JL, Aravelli S, Khare SV, Phaneuf RJ. Diffusion of a Ga adatom on the GaAs(001)-c(4 × 4)-heterodimer surface: A first principles study Surface Science. 606: 1303-1307. DOI: 10.1016/J.Susc.2012.04.014  0.759
2011 Marsillac S, Mangale NS, Gade V, Khare SV. Structural and electronic properties of β-In2X3 (X = O, S, Se, Te) using ab initio calculations Thin Solid Films. 519: 5679-5683. DOI: 10.1016/J.Tsf.2011.02.092  0.364
2010 Roehl JL, Kolagatla A, Ganguri VKK, Khare SV, Phaneuf RJ. Binding sites and diffusion barriers of a Ga adatom on the GaAs (001 ) -c (4×4 ) surface from first-principles computations Physical Review B - Condensed Matter and Materials Physics. 82. DOI: 10.1103/Physrevb.82.165335  0.748
2008 Patil SKR, Mangale NS, Khare SV, Marsillac S. Super hard cubic phases of period VI transition metal nitrides: First principles investigation Thin Solid Films. 517: 824-827. DOI: 10.1016/J.Tsf.2008.07.034  0.33
2007 Medaboina D, Gade V, Patil SKR, Khare SV. Effect of structure, surface passivation, and doping on the electronic properties of Ge nanowires: A first-principles study Physical Review B - Condensed Matter and Materials Physics. 76. DOI: 10.1103/Physrevb.76.205327  0.338
2006 Patil SKR, Khare SV, Tuttle BR, Bording JK, Kodambaka S. Mechanical stability of possible structures of PtN investigated using first-principles calculations Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/Physrevb.73.104118  0.315
2006 Warner JA, Patil SKR, Khare SV, Masiulaniec KC. Ab initio calculations for properties of MAX phases Ti 2 TlC, Zr 2 TlC, and Hf 2TlC Applied Physics Letters. 88. DOI: 10.1063/1.2182009  0.359
2006 Bareño J, Kodambaka S, Khare SV, Świech W, Petrov I, Greene JE. Orientation-dependent mobilities from analyses of two-dimensional TiN(111) island decay kinetics Thin Solid Films. 510: 339-345. DOI: 10.1016/J.Tsf.2005.12.164  0.322
2006 Kodambaka S, Khare SV, Petrov I, Greene JE. Two-dimensional island dynamics: Role of step energy anisotropy Surface Science Reports. 60: 55-77. DOI: 10.1016/J.Surfrep.2005.10.002  0.35
2005 Kodambaka S, Barẽo J, Khare SV, Świȩch W, Petrov I, Greene JE. Nucleation and growth kinetics of spiral steps on TiN(111): An in situ low-energy electron microscopy study Journal of Applied Physics. 98. DOI: 10.1063/1.1977193  0.338
2004 Kodambaka S, Khare SV, Swiech W, Ohmori K, Petrov I, Greene JE. Dislocation-driven surface dynamics on solids. Nature. 429: 49-52. PMID 15129275 DOI: 10.1038/Nature02495  0.321
2004 Kodambaka S, Khare SV, Petrova V, Vailionis A, Petrov I, Greene JE. Determination of absolute orientation-dependent TiN(0 0 1) and TiN(1 1 1) step energies Vacuum. 74: 345-351. DOI: 10.1016/J.Vacuum.2004.01.015  0.345
2003 Kodambaka S, Khare S, Petrova V, Vailionis A, Petrov I, Greene J. Erratum to: “Absolute orientation-dependent TiN(001) step energies from two-dimensional equilibrium island shape and coarsening measurements on epitaxial TiN(001) layers” [Surf. Sci. 513 (2002) 468–474] Surface Science. 523: 316. DOI: 10.1016/S0039-6028(02)02457-3  0.306
2003 Khare SV, Kodambaka S, Johnson DD, Petrov I, Greene JE. Determining absolute orientation-dependent step energies: A general theory for the Wulff-construction and for anisotropic two-dimensional island shape fluctuations Surface Science. 522: 75-83. DOI: 10.1016/S0039-6028(02)02315-4  0.336
2002 Kodambaka S, Petrova V, Khare SV, Gall D, Rockett A, Petrov I, Greene JE. Size-dependent detachment-limited decay kinetics of two-dimensional TiN islands on TiN(111). Physical Review Letters. 89: 176102. PMID 12398688 DOI: 10.1103/Physrevlett.89.176102  0.304
2002 Kodambaka S, Petrova V, Khare SV, Johnson DD, Petrov I, Greene JE. Absolute TiN(111) step energies from analysis of anisotropic island shape fluctuations. Physical Review Letters. 88: 146101. PMID 11955162 DOI: 10.1103/Physrevlett.88.146101  0.327
2002 Kodambaka S, Khare SV, Petrova V, Vailionis A, Petrov I, Greene JE. Absolute orientation-dependent TiN(0 0 1) step energies from two-dimensional equilibrium island shape and coarsening measurements on epitaxial TiN(0 0 1) layers Surface Science. 513: 468-474. DOI: 10.1016/S0039-6028(02)01845-9  0.314
1998 Khare SV, Einstein TL. Unified view of step-edge kinetics and fluctuations Physical Review B - Condensed Matter and Materials Physics. 57: 4782-4797. DOI: 10.1103/Physrevb.57.4782  0.372
1996 Khare SV, Einstein TL. Brownian motion and shape fluctuations of single-layer adatom and vacancy clusters on surfaces: Theory and simulations. Physical Review. B, Condensed Matter. 54: 11752-11761. PMID 9984966 DOI: 10.1103/Physrevb.54.11752  0.328
1995 Khare SV, Einstein TL, Bartelt NC. Dynamics of step doubling: simulations for a simple model and comparison with experiment Surface Science. 339: 353-362. DOI: 10.1016/0039-6028(95)00609-5  0.335
1994 Khare SV, Einstein TL. Energetics of steps and kinks on Ag and Pt using equivalent crystal theory (ECT) Surface Science. 314: L857-L865. DOI: 10.1016/0039-6028(94)90207-0  0.32
1993 Nelson RC, Einstein TL, Khare SV, Rous PJ. Energies of steps, kinks, and defects on Ag{100} and Ag{111} using the embedded atom method, and some consequences Surface Science. 295: 462-484. DOI: 10.1016/0167-2584(93)91061-R  0.369
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