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Otto Francis Sankey - Publications

Affiliations: 
1982- Physics Arizona State University, Tempe, AZ, United States 
Area:
molecular electronics
Website:
https://physics.asu.edu/people/faculty/emeritus-faculty/otto-sankey

178 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
2011 Benson D, Sankey OF, Häussermann U. Electronic structure and chemical bonding of the electron-poor II-V semiconductors ZnSb and ZnAs Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/Physrevb.84.125211  0.346
2010 Dykeman EC, Sankey OF. Atomistic modeling of the low-frequency mechanical modes and Raman spectra of icosahedral virus capsids. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 81: 021918. PMID 20365606 DOI: 10.1103/Physreve.81.021918  0.309
2010 Chang S, Huang S, He J, Liang F, Zhang P, Li S, Chen X, Sankey O, Lindsay S. Electronic signatures of all four DNA nucleosides in a tunneling gap. Nano Letters. 10: 1070-5. PMID 20141183 DOI: 10.1021/Nl1001185  0.312
2009 Dykeman EC, Sankey OF. Theory of the low frequency mechanical modes and Raman spectra of the M13 bacteriophage capsid with atomic detail. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 21: 035116. PMID 21817274 DOI: 10.1088/0953-8984/21/3/035116  0.328
2009 Lee MH, Sankey OF. Insights into electron tunneling across hydrogen-bonded base-pairs in complete molecular circuits for single-stranded DNA sequencing. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 21: 351101-3511011. PMID 19759919 DOI: 10.1088/0953-8984/21/3/035110  0.346
2009 Lee MH, Sankey OF. Theory of tunneling across hydrogen-bonded base pairs for DNA recognition and sequencing. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 79: 051911. PMID 19518484 DOI: 10.1103/Physreve.79.051911  0.327
2009 Evans MJ, Kranak VF, Garcia-Garcia FJ, Holland GP, Daemen LL, Proffen T, Lee MH, Sankey OF, Häussermann U. Structural and dynamic properties of BaInGeH: a rare solid-state indium hydride. Inorganic Chemistry. 48: 5602-4. PMID 19480429 DOI: 10.1021/Ic9005423  0.318
2009 Kranak VF, Evans MJ, Daemen LL, Proffen T, Lee MH, Sankey OF, Häussermann U. Structural and dynamic properties of the polyanionic hydrides SrAlGeH and BaAlGeH Solid State Sciences. 11: 1847-1853. DOI: 10.1016/J.Solidstatesciences.2009.08.007  0.374
2008 Dykeman EC, Sankey OF. Low frequency mechanical modes of viral capsids: an atomistic approach. Physical Review Letters. 100: 028101. PMID 18232930 DOI: 10.1103/Physrevlett.100.028101  0.334
2008 Lee MH, Björling T, Hauback BC, Utsumi T, Moser D, Bull D, Noréus D, Sankey OF, Häussermann U. Crystal structure, electronic structure, and vibrational properties of MAlSiH (M=Ca,Sr,Ba): Hydrogenation-induced semiconductors from the AlB2 -type alloys MAlSi Physical Review B - Condensed Matter and Materials Physics. 78. DOI: 10.1103/Physrevb.78.195209  0.363
2007 Dykeman EC, Sankey OF, Tsen KT. Raman intensity and spectra predictions for cylindrical viruses. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 76: 011906. PMID 17677493 DOI: 10.1103/Physreve.76.011906  0.305
2007 Lee MH, Speyer G, Sankey OF. Theory of electron transport through single molecules of polyaniline Journal of Physics Condensed Matter. 19. DOI: 10.1088/0953-8984/19/21/215204  0.377
2006 He J, Sankey O, Lee M, Tao N, Li X, Lindsay S. Measuring single molecule conductance with break junctions. Faraday Discussions. 131: 145-54; discussion 2. PMID 16512369 DOI: 10.1039/B508434M  0.32
2006 Tomfohr J, Ramachandran GK, Sankey OF, Lindsay SM. Making contacts to single molecules: Are we there yet? Lecture Notes in Physics. 680: 301-312. DOI: 10.1007/3-540-31514-4_12  0.708
2006 Lee MH, Speyer G, Sankey OF. Electron transport through single alkane molecules with different contact geometries on gold Physica Status Solidi (B) Basic Research. 243: 2021-2029. DOI: 10.1002/Pssb.200666804  0.331
2005 He J, Chen F, Li J, Sankey OF, Terazono Y, Herrero C, Gust D, Moore TA, Moore AL, Lindsay SM. Electronic decay constant of carotenoid polyenes from single-molecule measurements. Journal of the American Chemical Society. 127: 1384-5. PMID 15686365 DOI: 10.1021/Ja043279I  0.327
2005 Starikov EB, Lewis JP, Sankey OF. Base sequence effects on charge carrier generation in DNA: A theoretical study International Journal of Modern Physics B. 19: 4331-4357. DOI: 10.1142/S0217979205032802  0.505
2005 Jelínek P, Wang H, Lewis JP, Sankey OF, Ortega J. Multicenter approach to the exchange-correlation interactions in ab initio tight-binding methods Physical Review B - Condensed Matter and Materials Physics. 71. DOI: 10.1103/Physrevb.71.235101  0.54
2005 Demkov AA, Fonseca LRC, Verret E, Tomfohr J, Sankey OF. Complex band structure and the band alignment problem at the Si high-k dielectric interface Physical Review B - Condensed Matter and Materials Physics. 71. DOI: 10.1103/Physrevb.71.195306  0.777
2005 He J, Chen F, Liddell PA, Andréasson J, Straight SD, Gust D, Moore TA, Moore AL, Li J, Sankey OF, Lindsay SM. Switching of a photochromic molecule on gold electrodes: Single-molecule measurements Nanotechnology. 16: 695-702. DOI: 10.1088/0957-4484/16/6/012  0.308
2004 Li J, Speyer G, Sankey OF. Conduction switching of photochromic molecules. Physical Review Letters. 93: 248302. PMID 15697867 DOI: 10.1103/Physrevlett.93.248302  0.322
2004 Wang H, Lewis JP, Sankey OF. Band-gap tunneling states in DNA. Physical Review Letters. 93: 016401. PMID 15323997 DOI: 10.1103/Physrevlett.93.016401  0.508
2004 Tomfohr J, Sankey OF. Theoretical analysis of electron transport through organic molecules. The Journal of Chemical Physics. 120: 1542-54. PMID 15268281 DOI: 10.1063/1.1625911  0.718
2004 Speyer G, Li J, Sankey OF. Investigations of conductance of photochromic switching molecules Physica Status Solidi (B) Basic Research. 241: 2326-2330. DOI: 10.1002/Pssb.200404941  0.333
2003 Demkov AA, Fonseca LRC, Tomfohr J, Sankey OF. The band alignment problem at the Si-high-k dielectric interface Materials Research Society Symposium - Proceedings. 786: 29-34. DOI: 10.1557/Proc-786-E5.6  0.777
2003 Dong J, Deslippe J, Sankey OF, Soignard E, McMillan PF. Theoretical study of the ternary spinel nitride system Si3N4-Ge3N4 Physical Review B - Condensed Matter and Materials Physics. 67: 941041-941047. DOI: 10.1103/Physrevb.67.094104  0.701
2003 Ramachandran GK, Tomfohr JK, Li J, Sankey OF, Zarate X, Primak A, Terazono Y, Moore TA, Moore AL, Gust D, Nagahara LA, Lindsay SM. Electron Transport Properties of a Carotene Molecule in a Metal−(Single Molecule)−Metal Junction The Journal of Physical Chemistry B. 107: 6162-6169. DOI: 10.1021/Jp0343786  0.709
2003 Lewis JP, Cheatham TE, Starikov EB, Wang H, Sankey OF. Dynamically amorphous character of electronic states in poly(dA)-poly(dT) DNA Journal of Physical Chemistry B. 107: 2581-2587. DOI: 10.1021/Jp026772U  0.549
2003 Li J, Tomfohr JK, Sankey OF. Theoretical study of carotene as a molecular wire Physica E: Low-Dimensional Systems and Nanostructures. 19: 133-138. DOI: 10.1016/S1386-9477(03)00299-6  0.752
2003 Tomfohr J, Li J, Sankey OF. Tunneling Through Single Molecules Nano and Giga Challenges in Microelectronics. 223-236. DOI: 10.1016/B978-044451494-3/50006-8  0.693
2003 Myles CW, Dong J, Sankey OF. Rattling guest atoms in Si, Ge, and Sn-based type-II clathrate materials Physica Status Solidi (B) Basic Research. 239: 26-34. DOI: 10.1002/Pssb.200303236  0.776
2003 Li J, Tomfohr JK, Sankey OF. Electric field effects on the octanedithiol wire Physica Status Solidi (B) Basic Research. 239: 80-87. DOI: 10.1002/Pssb.200303233  0.731
2003 Ramachandran GK, Tomfohr JK, Li J, Sankey OF, Zarate X, Primak A, Terazono Y, Moore TA, Moore AL, Gust D, Nagahara LA, Lindsay SM. Electron transport properties of a carotene molecule in a metal-(single molecule)-metal junction Journal of Physical Chemistry B. 107: 6162-6169.  0.681
2002 Cui XD, Zarate X, Tomfohr J, Primak A, Moore AL, Moore TA, Gust D, Harris G, Sankey OF, Lindsay SM. Bias-induced forces in conducting atomic force microscopy and contact charging of organic monolayers. Ultramicroscopy. 92: 67-76. PMID 12138944 DOI: 10.1016/S0304-3991(02)00069-4  0.697
2002 Tomfohr JK, Sankey OF, Wang S. Rapid tunneling transit times for electrons and photons through periodic fragments Physical Review B - Condensed Matter and Materials Physics. 66: 2351051-23510512. DOI: 10.1103/Physrevb.66.235105  0.718
2002 Fuentes-Cabrera M, Wang H, Daniels B, Sankey OF. Electronic states of prototype supertetrahedral framework materials Physical Review B - Condensed Matter and Materials Physics. 66: 451091-451098. DOI: 10.1103/Physrevb.66.045109  0.384
2002 Tomfohr JK, Sankey OF. Complex band structure, decay lengths, and Fermi level alignment in simple molecular electronic systems Physical Review B - Condensed Matter and Materials Physics. 65: 2451051-24510512. DOI: 10.1103/Physrevb.65.245105  0.732
2002 Myles CW, Dong J, Sankey OF, Kendziora CA, Nolas GS. Vibrational properties of tin clathrate materials Physical Review B - Condensed Matter and Materials Physics. 65: 2352081-23520810. DOI: 10.1103/Physrevb.65.235208  0.754
2002 Cui XD, Zarate X, Tomfohr J, Sankey OF, Primak A, Moore AL, Moore TA, Gust D, Harris G, Lindsay SM. Making electrical contacts to molecular monolayers Nanotechnology. 13: 5-14. DOI: 10.1088/0957-4484/13/1/302  0.696
2002 Fuentes-Cabrera M, Wang H, Sankey OF. Phase stability and pressure-induced semiconductor to metal transition in crystalline GeSe2 Journal of Physics Condensed Matter. 14: 9589-9600. DOI: 10.1088/0953-8984/14/41/314  0.337
2002 Gonzalez J, Calderon E, Power C, Capet F, Muñoz A, Sankey OF, Fuentes-Cabrera M. Electronic and structural high pressure properties of CuGaS2 chalcopyrite semiconductor High Pressure Research. 22: 361-364. DOI: 10.1080/08957950212804  0.37
2002 Nolas GS, Kendziora CA, Gryko J, Dong J, Myles CW, Poddar A, Sankey OF. Raman scattering study of stoichiometric Si and Ge type II clathrates Journal of Applied Physics. 92: 7225-7230. DOI: 10.1063/1.1523146  0.751
2002 Cui XD, Primak A, Zarate X, Tomfohr J, Sankey OF, Moore AL, Moore TA, Gust D, Nagahara LA, Lindsay SM. Changes in the electronic properties of a molecule when it is wired into a circuit Journal of Physical Chemistry B. 106: 8609-8614. DOI: 10.1021/Jp0206065  0.726
2002 Lewis JP, Pikus J, Cheatham TE, Starikov EB, Wang H, Tomfohr J, Sankey OF. A comparison of electronic states in periodic and aperiodic poly(dA)-poly(dT) DNA Physica Status Solidi (B) Basic Research. 233: 90-100. DOI: 10.1002/1521-3951(200209)233:1<90::Aid-Pssb90>3.0.Co;2-F  0.756
2002 Tomfohr JK, Sankey OF. Simple estimates of the electron transport properties of molecules Physica Status Solidi (B) Basic Research. 233: 59-69. DOI: 10.1002/1521-3951(200209)233:1<59::Aid-Pssb59>3.0.Co;2-6  0.712
2001 Cui XD, Primak A, Zarate X, Tomfohr J, Sankey OF, Moore AL, Moore TA, Gust D, Harris G, Lindsay SM. Reproducible measurement of single-molecule conductivity. Science (New York, N.Y.). 294: 571-4. PMID 11641492 DOI: 10.1126/Science.1064354  0.705
2001 Dong J, Sankey OF, Myles CW. Theoretical study of the lattice thermal conductivity in Ge framework semiconductors. Physical Review Letters. 86: 2361-4. PMID 11289929 DOI: 10.1103/Physrevlett.86.2361  0.767
2001 Lewis JP, Glaesemann KR, Voth GA, Fritsch J, Demkov AA, Ortega J, Sankey OF. Further developments in the local-orbital density-functional-theory tight-binding method Physical Review B. 64: 195103. DOI: 10.1103/Physrevb.64.195103  0.611
2001 Myles CW, Dong J, Sankey OF. Structural and electronic properties of tin clathrate materials Physical Review B - Condensed Matter and Materials Physics. 64: 1652021-16520211. DOI: 10.1103/Physrevb.64.165202  0.777
2001 Qiu L, White MA, Li Z, Tse JS, Ratcliffe CI, Tulk CA, Dong J, Sankey OF. Thermal and lattice dynamical properties of Na8Si46 clathrate Physical Review B. 64: 24303. DOI: 10.1103/Physrevb.64.024303  0.644
2001 Demkov AA, Sankey OF. Theory of zeolite supralattices: Se in zeolite Linde type A Journal of Physics Condensed Matter. 13: 10433-10457. DOI: 10.1088/0953-8984/13/46/313  0.545
2001 Soignard E, Somayazulu M, Dong J, Sankey OF, McMillan PF. High pressure-high temperature synthesis and elasticity of the cubic nitride spinel γ-Si3N4 Journal of Physics Condensed Matter. 13: 557-563. DOI: 10.1088/0953-8984/13/4/302  0.682
2001 Soignard E, Somayazulu M, Mao HK, Dong J, Sankey OF, McMillan PF. High pressure-high temperature investigation of the stability of nitride spinels in the systems Si3N4-Ge3N4 Solid State Communications. 120: 237-242. DOI: 10.1016/S0038-1098(01)00379-9  0.653
2001 Tomfohr JK, Sankey OF. Time-dependent simulation of conduction through a molecule Physica Status Solidi (B) Basic Research. 226: 115-123. DOI: 10.1002/1521-3951(200107)226:1<115::Aid-Pssb115>3.0.Co;2-5  0.71
2001 Lewis JP, Glaesemann KR, Voth GA, Fritsch J, Demkov AA, Ortega J, Sankey OF. Further developments in the local-orbital density-functional-theory tight-binding method Physical Review B - Condensed Matter and Materials Physics. 64: 1951031-19510310.  0.493
2001 Dong J, Sankey OF, Myles CW, Ramachandran GK, McMillan PF, Gryko J. Theoretical evaluation of the thermal conductivity in framework (clathrate) semiconductors Proceedings - Ieee International Symposium On Circuits and Systems. 4: Z611-Z616.  0.532
2000 Ramachandran GK, Dong J, Sankey OF, McMillan PF. 23Naand29SiNMR Knight shifts in the silicon clathrateNa16Cs8Si136 Physical Review B. 63. DOI: 10.1103/Physrevb.63.033102  0.653
2000 Gryko J, McMillan PF, Marzke RF, Ramachandran GK, Patton D, Deb SK, Sankey OF. Low-density framework form of crystalline silicon with a wide optical band gap Physical Review B - Condensed Matter and Materials Physics. 62: R7707-R7710. DOI: 10.1103/Physrevb.62.R7707  0.416
2000 Dong J, Tomfohr JK, Sankey OF, Leinenweber K, Somayazulu M, McMillan PF. Investigation of hardness in tetrahedrally bonded nonmolecular CO2 solids by density-functional theory Physical Review B - Condensed Matter and Materials Physics. 62: 14685-14689. DOI: 10.1103/Physrevb.62.14685  0.781
2000 Dong J, Tomfohr JK, Sankey OF. Rigid intertetrahedron angular interaction of nonmolecular carbon dioxide solids Physical Review B - Condensed Matter and Materials Physics. 61: 5967-5971. DOI: 10.1103/Physrevb.61.5967  0.772
2000 Dong J, Sankey OF, Deb SK, Wolf G, McMillan PF. Theoretical study of β-Ge3N4 and its high-pressure spinel γ phase Physical Review B - Condensed Matter and Materials Physics. 61: 11979-11992. DOI: 10.1103/Physrevb.61.11979  0.635
2000 Dong J, Sankey OF, Deb SK, Wolf G, McMillan PF. Theoretical study of and its high-pressure spinel phase Physical Review B. 61: 11979-11992. DOI: 10.1103/Physrevb.61.11979  0.637
2000 Fuentes-Cabrera M, Sankey OF. Theoretical study of the ordered-vacancy semiconducting compound CdAl2Se4 Journal of Physics Condensed Matter. 13: 1669-1684. DOI: 10.1088/0953-8984/13/8/305  0.383
2000 Ramachandrantt GK, McMillan PF, Deb SK, Somayazulu M, Gryko J, Dong J, Sankey OF. High-pressure phase transformation of the silicon clathrate Si136 Journal of Physics Condensed Matter. 12: 4013-4020. DOI: 10.1088/0953-8984/12/17/308  0.69
2000 Dong J, Sankey OF, Ramachandran GK, McMillan PF. Chemical trends of the rattling phonon modes in alloyed germanium clathrates Journal of Applied Physics. 87: 7726-7734. DOI: 10.1063/1.373447  0.701
2000 Dong J, Sankey OF. Comment on “Assignment of the Raman active vibration modes of β-Si3N4 using micro-Raman scattering” [J. Appl. Phys. 85, 7380 (1999)] Journal of Applied Physics. 87: 958-959. DOI: 10.1063/1.371969  0.664
2000 Fuentes-Cabrera M, Dong J, Sankey OF. Theoretical study of the structural, electronic and vibrational properties of CdIn2Te4 Thin Solid Films. 373: 19-22. DOI: 10.1016/S0040-6090(00)01082-8  0.671
2000 Deb SK, Dong J, Hubert H, McMillan PF, Sankey OF. Raman spectra of the hexagonal and cubic (spinel) forms of Ge3N4: An experimental and theoretical study Solid State Communications. 114: 137-142. DOI: 10.1016/S0038-1098(00)00017-X  0.689
2000 Ramachandran GK, McMillan PF, Dong J, Sankey OF. K(7.62(1))Si46 and Rb(6.15(2))Si46: Two Structure I clathrates with fully occupied framework sites Journal of Solid State Chemistry. 154: 626-634. DOI: 10.1006/Jssc.2000.8906  0.701
1999 Demkov AA, Sankey OF. Growth Study and Theoretical Investigation of the Ultrathin Oxide SiO 2 − Si Heterojunction Physical Review Letters. 83: 2038-2041. DOI: 10.1103/Physrevlett.83.2038  0.573
1999 Dong J, Sankey OF, Kern G. Theoretical study of the vibrational modes and their pressure dependence in the pure clathrate-II silicon framework Physical Review B - Condensed Matter and Materials Physics. 60: 950-958. DOI: 10.1103/Physrevb.60.950  0.703
1999 Ramachandran GK, McMillan PF, Diefenbacher J, Gryko J, Dong J, Sankey OF. 29 Si NMR study on the stoichiometry of the silicon clathrate Na 8 Si 46 Physical Review B. 60: 12294-12298. DOI: 10.1103/Physrevb.60.12294  0.675
1999 Fuentes-Cabrera M, Muñoz A, Windl W, Demkov AA, Sankey OF. Theoretical study of graphitic analogues of simple semiconductors Modelling and Simulation in Materials Science and Engineering. 7: 929-938. DOI: 10.1088/0965-0393/7/6/302  0.708
1999 Dong J, Sankey OF. Theoretical study of two expanded phases of crystalline germanium: Clathrate-I and clathrate-II Journal of Physics Condensed Matter. 11: 6129-6145. DOI: 10.1088/0953-8984/11/32/305  0.709
1999 Fritsch J, Sankey OF, Schmidt KE, Page JB. First-principles local-orbital calculation of the structural and electronic properties of ordered and random alloys of GaN and AlN Journal of Physics Condensed Matter. 11: 2351-2361. DOI: 10.1088/0953-8984/11/11/007  0.37
1999 Ramachandran GK, Dong J, Diefenbacher J, Gryko J, Marzke RF, Sankey OF, McMillan PF. Synthesis and X-ray characterization of silicon clathrates Journal of Solid State Chemistry. 145: 716-730. DOI: 10.1006/Jssc.1999.8295  0.647
1999 Demkov AA, Sankey OF. Growth study and theoretical investigation of the ultrathin oxide SiO2-Si heterojunction Physical Review Letters. 83: 2038-2041.  0.485
1998 Dong J, Sankey OF, Demkov AA, Ramachandran GK, Gryko J, McMillan P, Windl W. Theoretical Calculation of the Vibrational modes in Ge46 Clathrate and Related MxGayGe46-y Type Clathrates Mrs Proceedings. 545. DOI: 10.1557/Proc-545-443  0.792
1998 WINDL W, SANKEY OF. First–Principles Investigation of the Ordered Si 4c compound Mrs Proceedings. 535. DOI: 10.1557/Proc-535-299  0.603
1998 Chizmeshya AVG, Sankey OF, McMillan PF. High-pressure properties of Na3ClO anti-perovskite from first principles: An exploratory study Materials Research Society Symposium - Proceedings. 499: 167-172. DOI: 10.1557/Proc-499-167  0.344
1998 Demkov AA, Sankey OF, Fuentes M. Structural band gap engineering Materials Research Society Symposium - Proceedings. 486: 355-360. DOI: 10.1557/Proc-486-355  0.545
1998 Gryko J, McMillan PF, Marzke RF, Dodokin AP, Demkov AA, Sankey OF. Temperature-dependent 23Na Knight shifts and sharply peaked structure in the electronic densities of states of Na-Si clathrates Physical Review B - Condensed Matter and Materials Physics. 57: 4172-4179. DOI: 10.1103/Physrevb.57.4172  0.573
1998 Windl W, Sankey OF, Menendez J. Theory of strain and electronic structure of Si 1-y C y and Si 1-x-y Ge x C y alloys Physical Review B. 57: 2431-2442. DOI: 10.1103/Physrevb.57.2431  0.589
1998 Fritsch J, Sankey OF, Schmidt KE, Page JB. Ab initio calculation of the stoichiometry and structure of the (0001) surfaces of GaN and AIN Physical Review B - Condensed Matter and Materials Physics. 57: 15360-15371. DOI: 10.1103/Physrevb.57.15360  0.324
1998 Sankey OF, Demkov AA, Lenosky T. Electronic structure of black sodalite Physical Review B - Condensed Matter and Materials Physics. 57: R15129-R15139. DOI: 10.1103/Physrevb.57.15129  0.532
1998 O'Keeffe M, Adams GB, Sankey OF. Duals of Frank-Kasper structures as C, Si and Ge clathrates: Energetics and structure Philosophical Magazine Letters. 78: 21-28. DOI: 10.1080/095008398178219  0.346
1998 Ortega J, Lewis JP, Sankey OF. Erratum: “First principles simulations of fluid water: The radial distribution functions” [J. Chem. Phys. 106, 3696 (1997)] The Journal of Chemical Physics. 109: 1205-1205. DOI: 10.1063/1.476669  0.445
1998 Demkov AA, Sankey OF. Theoretical studies of Se clusters in zeolite LTA Microporous and Mesoporous Materials. 21: 347-351. DOI: 10.1016/S1387-1811(98)00050-X  0.505
1998 Sankey OF, Demkov AA, Windl W, Fritsch JH, Lewis JP, Fuentes-Cabrera M. The application of approximate density functionals to complex systems International Journal of Quantum Chemistry. 69: 327-340. DOI: 10.1002/(Sici)1097-461X(1998)69:3<327::Aid-Qua11>3.0.Co;2-#  0.68
1997 Skromme BJ, Jayapalan J, Wang D, Sankey OF. Magnetoluminescence and resonant electronic Raman scattering investigation of donors and excitons in hydride VPE and MOCVD GaN Materials Research Society Symposium - Proceedings. 482: 537-542. DOI: 10.1557/Proc-482-537  0.34
1997 Windl W, Kress JD, Voter AF, Menendez J, Sankey OF. Influence of the local microstructure on the macroscopic properties of Si1-x-yGexCy alloys Materials Research Society Symposium - Proceedings. 469: 443-448. DOI: 10.1557/Proc-469-443  0.777
1997 Demkov AA, Sankey OF. Model simulations of zeolite supralattices: Semiconductor Si clusters in sodalite Physical Review B - Condensed Matter and Materials Physics. 56: 10497-10504. DOI: 10.1103/Physrevb.56.10497  0.568
1997 Demkov AA, Sankey OF, Gryko J, McMillan PF. Theoretical predictions of expanded-volume phases of GaAs Physical Review B - Condensed Matter and Materials Physics. 55: 6904-6913. DOI: 10.1103/Physrevb.55.6904  0.59
1997 Lewis JP, Ordejón P, Sankey OF. Electronic-Structure-Based Molecular-Dynamics Method For Large Biological Systems : Application To The 10 Basepair Poly(Dg).Poly(Dc) Dna Double Helix Physical Review B. 55: 6880-6887. DOI: 10.1103/Physrevb.55.6880  0.567
1997 Ortega J, Lewis JP, Sankey OF. First principles simulations of fluid water: The radial distribution functions Journal of Chemical Physics. 106: 3696-3702. DOI: 10.1063/1.474121  0.517
1997 Lorentzen JD, Loechelt GH, Meléndez-Lira M, Menéndez J, Sego S, Culbertson RJ, Windl W, Sankey OF, Bair AE, Alford TL. Photoluminescence in Si1−x−yGexCy alloys Applied Physics Letters. 70: 2353-2355. DOI: 10.1063/1.118871  0.607
1997 Lewis JP, Pawley NH, Sankey OF. Theoretical Investigation of the Cyclic Peptide System Cyclo(( D-Ala-Glu-D-Ala-Gln)m)1-4) Journal of Physical Chemistry B. 101: 10576-10583. DOI: 10.1021/Jp9722317  0.487
1997 Demkov AA, Sankey OF. Supralattices: Another dimension in materials science - Theoretical investigation Studies in Surface Science and Catalysis. 105: 2259-2266. DOI: 10.1016/S0167-2991(97)80698-2  0.582
1996 Gryko J, McMillan PF, Sankey OF. NMR studies of Na atoms in silicon clathrate compounds. Physical Review. B, Condensed Matter. 54: 3037-3039. PMID 9986194 DOI: 10.1103/Physrevb.54.3037  0.352
1996 Meléndez-Lira M, Menéndez J, Windl W, Sankey OF, Spencer GS, Sego S, Culbertson RB, Bair AE, Alford TL. Carbon dependence of Raman mode frequencies in Si1-x-yGexCy alloys. Physical Review. B, Condensed Matter. 54: 12866-12872. PMID 9985144 DOI: 10.1103/Physrevb.54.12866  0.578
1996 Demkov AA, Windl W, Sankey OF. Expanded-volume phases of silicon: Zeolites without oxygen Physical Review B - Condensed Matter and Materials Physics. 53: 11288-11291. DOI: 10.1103/Physrevb.53.11288  0.726
1996 Demkov AA, Sankey OF. Recent developments in the theory of supralattices Chemistry of Materials. 8: 1793-1806. DOI: 10.1021/Cm9601244  0.579
1996 Demkov AA, Sankey OF. Clusters stuffed inside frameworks: Electronic structure theory Journal of Computer-Aided Materials Design. 3: 128-138. DOI: 10.1007/Bf01185645  0.585
1995 Grumbach MP, Sankey OF, McMillan PF. Properties of B2O: An unsymmetrical analog of carbon. Physical Review. B, Condensed Matter. 52: 15807-15811. PMID 9980955 DOI: 10.1103/Physrevb.52.15807  0.345
1995 Grann ED, Sheih SJ, Tsen KT, Sankey OF, Günçer SE, Ferry DK, Salvador A, Botcharev A, Morkoc H. Transient picosecond Raman studies of high-field electron transport in GaAs-based p-i-n nanostructure semiconductors. Physical Review. B, Condensed Matter. 51: 1631-1641. PMID 9978882 DOI: 10.1103/Physrevb.51.1631  0.337
1995 Lewis JP, Sankey OF. Geometry and energetics of DNA basepairs and triplets from first principles quantum molecular relaxations. Biophysical Journal. 69: 1068-76. PMID 8519960 DOI: 10.1016/S0006-3495(95)79980-5  0.437
1995 Huang YM, Spence JCH, Sankey OF. Dislocation kink motion in silicon Physical Review Letters. 74: 3392-3395. DOI: 10.1103/Physrevlett.74.3392  0.325
1995 Demkov AA, Ortega J, Sankey OF, Grumbach MP. Electronic structure approach for complex silicas Physical Review B. 52: 1618-1630. DOI: 10.1103/Physrevb.52.1618  0.556
1995 Gryko J, Sankey OF. Energy band gaps of silicon-carbon alloys Physical Review B. 51: 7295-7298. DOI: 10.1103/Physrevb.51.7295  0.334
1995 Ortega J, Sankey OF. Relative stability of hexagonal and planar structures of hypothetical C3N4 solids Physical Review B. 51: 2624-2627. DOI: 10.1103/Physrevb.51.2624  0.324
1995 Grann ED, Tsen KT, Sankey OF, Ferry DK, Salvador A, Botcharev A, Morkoç H. Electron velocity overshoot in a GaAs-based p-i-n nanostructure semiconductor observed by transient subpicosecond Raman spectroscopy Applied Physics Letters. 67: 1760. DOI: 10.1063/1.115041  0.335
1994 Demkov AA, Sankey OF, Schmidt KE, Adams GB, O'Keeffe M. Theoretical investigation of alkali-metal doping in Si clathrates. Physical Review. B, Condensed Matter. 50: 17001-17008. PMID 9976096 DOI: 10.1103/Physrevb.50.17001  0.552
1994 Ortega J, Lewis JP, Sankey OF. Simplified electronic-structure model for hydrogen-bonded systems: Water. Physical Review. B, Condensed Matter. 50: 10516-10530. PMID 9975149 DOI: 10.1103/Physrevb.50.10516  0.49
1994 Sankey OF, Drabold DA, Gibson A. Projected random vectors and the recursion method in the electronic-structure problem Physical Review B. 50: 1376-1381. DOI: 10.1103/Physrevb.50.1376  0.646
1994 Adams GB, Okeeffe M, Demkov AA, Sankey OF, Huang YM. Wide-band-gap Si in open fourfold-coordinated clathrate structures Physical Review B. 49: 8048-8053. DOI: 10.1103/Physrevb.49.8048  0.601
1994 Caro A, Drabold DA, Sankey OF. Properties of the Al-Si solid solution: Dynamical properties of the silicon substitutional and the aluminum vacancy Physical Review B. 49: 6647-6654. DOI: 10.1103/Physrevb.49.6647  0.689
1994 Huang YM, Spence JCH, Sankey OF. The effect of impurities on the ideal tensile strength of silicon Philosophical Magazine a: Physics of Condensed Matter, Structure, Defects and Mechanical Properties. 70: 53-62. DOI: 10.1080/01418619408242537  0.354
1994 Ortega J, Demkov AA, Sankey OF. Chemisorption of in and Al on GaAs(110) Journal of Applied Physics. 76: 2918-2923. DOI: 10.1063/1.357530  0.558
1994 Grann ED, Sheih SJ, Chia C, Tsen KT, Sankey OF, Guncer SE, Ferry DK, Maracas G, Droopad R, Salvador A, Botcharev A, Morkoç H. Picosecond Raman studies of electric-field-induced nonequilibrium carrier distributions in GaAs-based p-i-n nanostructure semiconductors Applied Physics Letters. 64: 1230-1232. DOI: 10.1063/1.110848  0.317
1994 Adams GB, Page JB, O'Keeffe M, Sankey OF. A first principles molecular dynamics study of the fullerene derivative C119 Chemical Physics Letters. 228: 485-489. DOI: 10.1016/0009-2614(94)00968-6  0.319
1993 Drabold DA, Sankey OF. Maximum entropy approach for linear scaling in the electronic structure problem Physical Review Letters. 70: 3631-3634. DOI: 10.1103/Physrevlett.70.3631  0.67
1993 Demkov AA, Sankey OF. Theoretical investigation of random Si-C alloys Physical Review B. 48: 2207-2214. DOI: 10.1103/Physrevb.48.2207  0.609
1993 Sankey OF, Demkov AA, Petuskey WT, McMillan PF. Energetics and electronic structure of the hypothetical cubic zincblende form of gec Modelling and Simulation in Materials Science and Engineering. 1: 741-754. DOI: 10.1088/0965-0393/1/5/014  0.599
1993 Ma H, Lin SH, Carpenter RW, Rice P, Sankey OF. Ab initio calculation of band structure, x-ray emission, quantum yield, and electron-energy-loss spectra of hexagonal boron nitride Journal of Applied Physics. 73: 7422-7426. DOI: 10.1063/1.353983  0.349
1993 Tsen KT, Chia C, Sankey OF. Analysis of the single-particle scattering spectra for spin-density fluctuations of electrons in n-GaAs at T=300 K Journal of Applied Physics. 73: 3023-3027. DOI: 10.1063/1.353008  0.331
1993 Spence J, Huang Y, Sankey O. Lattice trapping and surface reconstruction for silicon cleavage on (111). Ab-initio quantum molecular dynamics calculations Acta Metallurgica Et Materialia. 41: 2815-2824. DOI: 10.1016/0956-7151(93)90096-B  0.34
1992 Adams GB, Sankey OF, Page JB, O'keeffe M, Drabold DA. Energetics of large fullerenes: balls, tubes, and capsules. Science (New York, N.Y.). 256: 1792-5. PMID 17743034 DOI: 10.1126/Science.256.5065.1792  0.654
1992 Drabold DA, Fedders PA, Klemm S, Sankey OF. Defects and Bandtails in Amorphous Silicon Materials Science Forum. 481-486. DOI: 10.4028/Www.Scientific.Net/Msf.83-87.481  0.754
1992 Adams GB, O'Keeffe M, Sankey OF, Page JB. Polybenzene, A Predicted New Low Energy Form of Carbon Mrs Proceedings. 270. DOI: 10.1557/Proc-270-103  0.363
1992 Adams GB, Sankey OF. Applications of ab initio quantum molecular dynamical relaxation: Silicon(111)-5×5 surface reconstruction and aluminum deposited on silicon (100) Journal of Vacuum Science and Technology a: Vacuum, Surfaces and Films. 10: 2046-2051. DOI: 10.1116/1.578022  0.386
1992 O'Keeffe M, Adams GB, Sankey OF. Predicted new low energy forms of carbon Physical Review Letters. 68: 2325-2328. DOI: 10.1103/Physrevlett.68.2325  0.329
1992 Phillips R, Drabold DA, Lenosky T, Adams GB, Sankey OF. Electronic structure of schwarzite Physical Review B. 46: 1941-1943. DOI: 10.1103/Physrevb.46.1941  0.674
1992 Adams GB, Sankey OF, Page JB, O'Keeffe M, Drabold DA. Energetics of large fullerenes: Balls, tubes, and capsules Science. 256: 1792-1795.  0.627
1991 Drabold DA, Fedders PA, Klemm S, Sankey OF. Finite-temperature properties of amorphous silicon. Physical Review Letters. 67: 2179-2182. PMID 10044359 DOI: 10.1103/Physrevlett.67.2179  0.788
1991 Adams GB, Page JB, Sankey OF, Sinha K, Menendez J, Huffman DR. First-principles quantum molecular-dynamics study of the vibrations of icosahedral C60. Physical Review. B, Condensed Matter. 44: 4052-4055. PMID 10000047 DOI: 10.1103/Physrevb.44.4052  0.35
1991 Drabold DA, Wang R, Klemm S, Sankey OF, Dow JD. Efficient ab initio molecular-dynamics simulations of carbon. Physical Review. B, Condensed Matter. 43: 5132-5134. PMID 9997891 DOI: 10.1103/Physrevb.43.5132  0.635
1991 Adams GB, Sankey OF. Ab initio molecular-dynamical relaxation applied to the silicon(111)-5×5 surface reconstruction Physical Review Letters. 67: 867-870. DOI: 10.1103/Physrevlett.67.867  0.34
1991 Drabold DA, Wang R, Klemm S, Sankey OF, Dow JD. Efficient ab initio molecular-dynamics simulations of carbon Physical Review B. 43: 5132-5134. DOI: 10.1103/PhysRevB.43.5132  0.636
1991 Sinha K, Menéndez J, Hanson RC, Adams GB, Page JB, Sankey OF, Lamb LD, Huffman DR. Evidence for solid-state effects in the electronic structure of C60 films: a resonance-Raman study Chemical Physics Letters. 186: 287-290. DOI: 10.1016/S0009-2614(91)85143-K  0.31
1991 Sankey OF, Adams GB, Weng X, Dow JD, Huang YM, Spence JCH, Drabold DA, Hu WM, Wang RP, Klemm S, Fedders PA. First-principles electronic structure calculations with molecular dynamics made easy Superlattices and Microstructures. 10: 407-414. DOI: 10.1016/0749-6036(91)90300-G  0.786
1991 Huang YM, Spence JCH, Sankey OF, Adams GB. The influence of internal surfaces on the (2 × 1) shuffle and glide cleavage reconstructions for Si(111) Surface Science. 256: 344-353. DOI: 10.1016/0039-6028(91)90876-T  0.354
1990 Drabold DA, Dow JD, Fedders PA, Carlsson AE, Sankey OF. Convergence of force calculations for noncrystalline Si. Physical Review. B, Condensed Matter. 42: 5345-5348. PMID 9996105 DOI: 10.1103/Physrevb.42.5345  0.767
1990 Drabold DA, Fedders PA, Sankey OF, Dow JD. Molecular-dynamics simulations of amorphous Si. Physical Review. B, Condensed Matter. 42: 5135-5141. PMID 9996075 DOI: 10.1103/Physrevb.42.5135  0.788
1990 Sankey OF, Niklewski DJ, Drabold DA, Dow JD. Molecular-dynamics determination of electronic and vibrational spectra, and equilibrium structures of small Si clusters. Physical Review. B, Condensed Matter. 41: 12750-12759. PMID 9993752 DOI: 10.1103/Physrevb.41.12750  0.648
1990 Klemm S, Drabold DA, Sankey OF. Ab-Initio Simulations to Study the Configurational Entropy of Column IV Microclusters Mrs Proceedings. 193. DOI: 10.1557/Proc-193-307  0.648
1990 Drabold DA, Klemm S, Sankey OF. Ab Initio Molecular Dynamics of Column IV Microclusters Mrs Proceedings. 193. DOI: 10.1557/Proc-193-177  0.674
1990 Sankey OF, Niklewski DJ, Drabold DA, Dow JD. Molecular-dynamics determination of electronic and vibrational spectra, and equilibrium structures of small Si clusters Physical Review B. 41: 12750-12759. DOI: 10.1103/PhysRevB.41.12750  0.684
1990 Ma H, Lin SH, Carpenter RW, Sankey OF. Theoretical comparison of electron energy-loss and x-ray absorption near-edge fine structure of the Si L2,3 edge Journal of Applied Physics. 68: 288-290. DOI: 10.1063/1.347129  0.327
1990 Lindsay SM, Sankey OF, Li Y, Herbst C, Rupprecht A. Pressure and resonance effects in scanning tunneling microscopy of molecular adsorbates Journal of Physical Chemistry. 94: 4655-4660. DOI: 10.1021/J100374A053  0.34
1989 Weng X, Rez P, Sankey OF. Pseudo-atomic-orbital band theory applied to electron-energy-loss near-edge structures Physical Review B. 40: 5694-5704. DOI: 10.1103/Physrevb.40.5694  0.398
1989 Sankey OF, Niklewski DJ. Ab initio multicenter tight-binding model for molecular-dynamics simulations and other applications in covalent systems Physical Review B. 40: 3979-3995. DOI: 10.1103/Physrevb.40.3979  0.407
1989 Jansen RW, Sankey OF. Theory of relative native- and impurity-defect abundances in compound semiconductors and the factors that influence them Physical Review B. 39: 3192-3206. DOI: 10.1103/Physrevb.39.3192  0.321
1988 Sankey OF, Niklewski DJ. An Ab-Initio Multicenter Tight-Binding Model for Molecular Dynamics Simulations Mrs Proceedings. 141. DOI: 10.1557/Proc-141-25  0.389
1988 Sankey OF. Prediction of equilibrium concentrations of defects and factors that influence them Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures. 6: 1240. DOI: 10.1116/1.584243  0.305
1988 Jansen RW, Wolde-Kidane DS, Sankey OF. Energetics and deep levels of interstitial defects in the compound semiconductors GaAs, AlAs, ZnSe, and ZnTe Journal of Applied Physics. 64: 2415-2421. DOI: 10.1063/1.341675  0.308
1987 Jansen RW, Sankey OF. Ab initio linear combination of pseudo-atomic-orbital scheme for the electronic properties of semiconductors: Results for ten materials Physical Review B. 36: 6520-6531. DOI: 10.1103/Physrevb.36.6520  0.356
1987 Jansen RW, Bertoncini R, Pinnick DA, Katz AI, Hanson RC, Sankey OF, O'Keeffe M. Theoretical aspects of solid hydrogen halides under pressure Physical Review B. 35: 9830-9846. DOI: 10.1103/Physrevb.35.9830  0.375
1986 Sankey OF, Allen RE. Atomic forces from electronic energies via the Hellmann-Feynman theorem, with application to semiconductor (110) surface relaxation Physical Review B. 33: 7164-7171. DOI: 10.1103/Physrevb.33.7164  0.337
1986 Disko MM, Spence JCH, Sankey OF, Saldin D. Electron-energy-loss near-edge structure of Be2C Physical Review B. 33: 5642-5651. DOI: 10.1103/Physrevb.33.5642  0.381
1986 Jansen RW, Sankey OF. Theory of deep electronic levels of large chalcogen (S, Se, and Te) complexes in Si Physical Review B. 33: 3994-4001. DOI: 10.1103/Physrevb.33.3994  0.357
1986 Lent CS, Bowen MA, Dow JD, Allgaier RS, Sankey OF, Ho ES. Relativistic empirical tight-binding theory of the energy bands of GeTe, SnTe, PbTe, PbSe, PbS, and their alloys Superlattices and Microstructures. 2: 491-499. DOI: 10.1016/0749-6036(86)90017-0  0.335
1986 Allen RE, Sankey OF, Dow JD. Theoretical interpretation of Schottky barriers and ohmic contacts Surface Science. 168: 376-385. DOI: 10.1016/0039-6028(86)90867-8  0.356
1985 Dow JD, Sankey OF, Allen RE. Interfacial deep levels responsible for Schottky barrier formation at semiconductor/metal contacts Applied Surface Science. 22: 937-947. DOI: 10.1016/0378-5963(85)90227-2  0.336
1984 Sankey OF. Theory of Schottky barrier formation for transition metals on Si, Ge, diamond, and Six Ge1−x alloys Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures. 2: 491. DOI: 10.1116/1.582901  0.357
1984 Johnson WL, Sankey OF, Dow JD. Deep levels associated with impurities at the bond-centered interstitial site in Si Physical Review B. 30: 2070-2073. DOI: 10.1103/Physrevb.30.2070  0.334
1984 Myles CW, Sankey OF. Deep levels associated with (vacancy, impurity) pairs in covalent semiconductors Physical Review B. 29: 6810-6823. DOI: 10.1103/Physrevb.29.6810  0.578
1984 Sankey OF, Allen RE, Dow JD. Theory of Si/transition-metal silicide schottky barriers Ultramicroscopy. 14: 127-130. DOI: 10.1016/0304-3991(84)90116-5  0.372
1984 Sankey OF, Dow JD. Theory of electron spin resonance measurements of chalcogen pairs in Si Solid State Communications. 51: 705-708. DOI: 10.1016/0038-1098(84)90951-7  0.304
1984 Sankey OF, Allen RE, Dow JD. Si/transition-metal Schottky barriers: Fermi-level pinning by Si dangling bonds at interfacial vacancies Solid State Communications. 49: 1-5. DOI: 10.1016/0038-1098(84)90548-9  0.338
1983 Sankey OF, Dow JD. Theory of tetrahedral-site interstitial s- and p-bonded impurities in Si Physical Review B. 27: 7641-7653. DOI: 10.1103/Physrevb.27.7641  0.359
1982 Ren SY, Hu WM, Sankey OF, Dow JD. Charge densities and wave functions of chalcogenide deep impurities in Si Physical Review B. 26: 951-954. DOI: 10.1103/Physrevb.26.951  0.302
1982 Sankey OF, Dow JD. Electronic energy levels of substitutional defect pairs in Si Physical Review B. 26: 3243-3248. DOI: 10.1103/Physrevb.26.3243  0.344
1981 Myles CW, Dow JD, Sankey OF. Theory of alloy broadening of impurity electronic spectra Physical Review B. 24: 1137-1139. DOI: 10.1103/Physrevb.24.1137  0.606
1980 Sankey OF, Fedders PA. Correlation functions for simple hopping among the octahedral and tetrahedral sites in a body-centered-cubic lattice Physical Review B. 22: 5135-5141. DOI: 10.1103/Physrevb.22.5135  0.627
1979 Sankey OF, Fedders PA. Correlation functions for simple hopping in a face-centered-cubic lattice Physical Review B. 20: 39-45. DOI: 10.1103/Physrevb.20.39  0.629
1978 Fedders PA, Sankey OF. Correlation functions for simple hopping in a simple cubic lattice Physical Review B. 18: 5938-5947. DOI: 10.1103/Physrevb.18.5938  0.635
1977 Sankey OF, Fedders PA. The generalized atomic hopping problem-particle correlation functions Physical Review B. 15: 3586-3591. DOI: 10.1103/Physrevb.15.3586  0.625
1977 Fedders PA, Sankey OF. The generalized atomic hopping problem-occupancy correlation functions Physical Review B. 15: 3580-3585. DOI: 10.1103/Physrevb.15.3580  0.635
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