Nitrogen and potential n-type dopants in diamond SA Kajihara, A Antonelli, J Bernholc, R Car Physical Review Letters 66 (15), 2010, 1991 | 424 | 1991 |
Mechanism of self-diffusion in diamond J Bernholc, A Antonelli, TM Del Sole, Y Bar-Yam, ST Pantelides Physical review letters 61 (23), 2689, 1988 | 194 | 1988 |
Divacancies in graphene and carbon nanotubes RG Amorim, A Fazzio, A Antonelli, FD Novaes, AJR da Silva Nano Letters 7 (8), 2459-2462, 2007 | 186 | 2007 |
Pressure effects on self-diffusion in silicon A Antonelli, J Bernholc Physical Review B 40 (15), 10643, 1989 | 161 | 1989 |
Optimized free-energy evaluation using a single reversible-scaling simulation M de Koning, A Antonelli, S Yip Physical review letters 83 (20), 3973, 1999 | 139 | 1999 |
Vacancy in silicon revisited: Structure and pressure effects A Antonelli, E Kaxiras, DJ Chadi Physical review letters 81 (10), 2088, 1998 | 104 | 1998 |
Einstein crystal as a reference system in free energy estimation using adiabatic switching M de Koning, A Antonelli Physical Review E 53 (1), 465, 1996 | 88 | 1996 |
Adiabatic switching applied to realistic crystalline solids: Vacancy-formation free energy in copper M de Koning, A Antonelli Physical Review B 55 (2), 735, 1997 | 75 | 1997 |
Single-simulation determination of phase boundaries: A dynamic Clausius–Clapeyron integration method M de Koning, A Antonelli, S Yip The Journal of Chemical Physics 115 (24), 11025-11035, 2001 | 67 | 2001 |
Theory of native defects, doping and diffusion in diamond and silicon carbide J Bernholc, SA Kajihara, C Wang, A Antonelli, RF Davis Materials Science and Engineering: B 11 (1-4), 265-272, 1992 | 62 | 1992 |
Impurity incorporation and doping of diamond SA Kajihara, A Antonelli, J Bernholc Wide-Band-Gap Semiconductors, 144-149, 1993 | 59 | 1993 |
Bundling up carbon nanotubes through Wigner defects AJR da Silva, A Fazzio, A Antonelli Nano letters 5 (6), 1045-1049, 2005 | 53 | 2005 |
Stabilization of substitutional Mn in silicon-based semiconductors AJR da Silva, A Fazzio, A Antonelli Physical Review B 70 (19), 193205, 2004 | 53 | 2004 |
Transitions between disordered phases in supercooled liquid silicon CR Miranda, A Antonelli The Journal of chemical physics 120 (24), 11672-11677, 2004 | 51 | 2004 |
Insights into the thermoelectric properties of SnSe from ab initio calculations RL González-Romero, A Antonelli, JJ Meléndez Physical chemistry chemical physics 19 (20), 12804-12815, 2017 | 49 | 2017 |
Orientational defects in ice Ih: An interpretation of electrical conductivity measurements M de Koning, A Antonelli, AJR da Silva, A Fazzio Physical review letters 96 (7), 075501, 2006 | 49 | 2006 |
Direct measurement of heavy-hole exciton transport in type-II GaAs/AlAs superlattices GD Gilliland, A Antonelli, DJ Wolford, KK Bajaj, J Klem, JA Bradley Physical review letters 71 (22), 3717, 1993 | 47 | 1993 |
Electronic properties of a cluster-based solid form of carbon: C 28 hyperdiamond E Kaxiras, LM Zeger, A Antonelli, Y Juan Physical Review B 49 (12), 8446, 1994 | 45 | 1994 |
Crystalline As 2 Se 3: Electronic and geometric structure E Tarnow, A Antonelli, JD Joannopoulos Physical Review B 34 (6), 4059, 1986 | 42 | 1986 |
Theoretical evidence for a first-order liquid-liquid phase transition in gallium DA Carvajal Jara, M Fontana Michelon, A Antonelli, M de Koning The Journal of chemical physics 130 (22), 2009 | 38 | 2009 |