The Nature of the Chemical Bond. V

The theory of the structure of ethylene and a note on the structure of ethane

Penney, W. G. (1934) · Proceedings of the Royal Society of London Series A Containing Papers of a Mathematical and Physical Character · doi:10.1098/rspa.1934.0041 · Cited by 55 · see citing works

A Calculation of the Equilibria in Keto-Enol Tautomerism

Wheland, G. W. (1933) · The Journal of Chemical Physics · doi:10.1063/1.1749236 · Cited by 14 · see citing works

The electronic properties of graphene

Castro Neto, A. H., Guinea, F., Peres, N. M. R., Novoselov, K. S., & Geim, A. K. (2009) · Reviews of Modern Physics · doi:10.1103/revmodphys.81.109 · Cited by 24,803 · see citing works

Maximally localized Wannier functions: Theory and applications

Marzari, N., Mostofi, A. A., Yates, J. R., Souza, I., & Vanderbilt, D. (2012) · Reviews of Modern Physics · doi:10.1103/revmodphys.84.1419 · Cited by 3,283 · see citing works

Electronic properties of disordered two-dimensional carbon

Peres, N. M. R., Guinea, F., & Castro Neto, A. H. (2006) · Physical Review B · doi:10.1103/physrevb.73.125411 · Cited by 1,445 · see citing works

Electronic properties of graphene in a strong magnetic field

Goerbig, M. O. (2011) · Reviews of Modern Physics · doi:10.1103/revmodphys.83.1193 · Cited by 978 · see citing works

Hydrogen on graphene: Electronic structure, total energy, structural distortions and magnetism from first-principles calculations

Boukhvalov, D. W., Katsnelson, M. I., & Lichtenstein, A. I. (2008) · Physical Review B · doi:10.1103/physrevb.77.035427 · Cited by 859 · see citing works

Phonon-glass electron-crystal thermoelectric clathrates: Experiments and theory

Takabatake, T., Suekuni, K., Nakayama, T., & Kaneshita, E. (2014) · Reviews of Modern Physics · doi:10.1103/revmodphys.86.669 · Cited by 589 · see citing works

Correlation between thermodynamical stabilities of metal borohydrides and cation electronegativites: First-principles calculations and experiments

Nakamori, Y., Miwa, K., Ninomiya, A., Li, H., Ohba, N., Towata, S., Züttel, A., & Orimo, S. (2006) · Physical Review B · doi:10.1103/physrevb.74.045126 · Cited by 520 · see citing works

Impurity-Induced Spin-Orbit Coupling in Graphene

Neto, A. H. C., & Guinea, F. (2009) · Physical Review Letters · doi:10.1103/physrevlett.103.026804 · Cited by 508 · see citing works

Dipolar Interactions and Origin of Spin Ice in Ising Pyrochlore Magnets

den Hertog, B. C., & Gingras, M. J. P. (2000) · Physical Review Letters · doi:10.1103/physrevlett.84.3430 · Cited by 485 · see citing works

Zintl Phases: Transitions between Metallic and Ionic Bonding

Schäfer, H., EISENMANN, B., & Müller, W. (1973) · Angewandte Chemie International Edition in English · doi:10.1002/anie.197306941 · Cited by 470 · see citing works

5d -level energies of Ce3+ and the crystalline environment. III. Oxides containing ionic complexes

Dorenbos, P. (2001) · Physical review. B, Condensed matter · doi:10.1103/physrevb.64.125117 · Cited by 408 · see citing works

Molecular Structure of Alcohol-Water Mixtures

Guo, J., Luo, Y., Augustsson, A., Kashtanov, S., Rubensson, J., Shuh, D. K., Ågren, H., & Nordgren, J. (2003) · Physical Review Letters · doi:10.1103/physrevlett.91.157401 · Cited by 403 · see citing works

Ising models of quantum frustration

Moessner, R., & Sondhi, S. L. (2001) · Physical review. B, Condensed matter · doi:10.1103/physrevb.63.224401 · Cited by 396 · see citing works

Magic Polyicosahedral Core-Shell Clusters

Rossi, G., Rapallo, A., Mottet, C., Fortunelli, A., Baletto, F., & Ferrando, R. (2004) · Physical Review Letters · doi:10.1103/physrevlett.93.105503 · Cited by 389 · see citing works

Electronegativity Identification of Novel Superhard Materials

Li, K., Wang, X., Zhang, F., & Xue, D. (2008) · Physical Review Letters · doi:10.1103/physrevlett.100.235504 · Cited by 341 · see citing works

Long-Range Order at Low Temperatures in Dipolar Spin Ice

Melko, R. G., den Hertog, B. C., & Gingras, M. J. P. (2001) · Physical Review Letters · doi:10.1103/physrevlett.87.067203 · Cited by 274 · see citing works

X-Ray Emission Spectroscopy of Hydrogen Bonding and Electronic Structure of Liquid Water

Guo, J., Luo, Y., Augustsson, A., Rubensson, J., Såthe, C., Ågren, H., Siegbahn, H. O. G., & Nordgren, J. (2002) · Physical Review Letters · doi:10.1103/physrevlett.89.137402 · Cited by 268 · see citing works

Resonating valence bonds and mean-field d -wave superconductivity in graphite

Black‐Schaffer, A. M., & Doniach, S. (2007) · Physical Review B · doi:10.1103/physrevb.75.134512 · Cited by 257 · see citing works

Broad boron sheets and boron nanotubes: Anab initiostudy of structural, electronic, and mechanical properties

Kunstmann, J., & Quandt, A. (2006) · Physical Review B · doi:10.1103/physrevb.74.035413 · Cited by 252 · see citing works

Ising Pyrochlore Magnets: Low-Temperature Properties, “Ice Rules,” and Beyond

Siddharthan, R., Shastry, B. S., Ramirez, A. P., Hayashi, A., Cava, R. J., & Rosenkranz, S. (1999) · Physical Review Letters · doi:10.1103/physrevlett.83.1854 · Cited by 243 · see citing works

Low-temperature polymorphs of Zr O 2 and Hf O 2 : A density-functional theory study

Jaffe, J. E., Bachorz, R. A., & Gutowski, M. S. (2005) · Physical Review B · doi:10.1103/physrevb.72.144107 · Cited by 232 · see citing works

Ionicities of Boron-Boron Bonds in B12 Icosahedra

He, J., Wu, E., Wang, H., Liu, R., & Tian, Y. (2005) · Physical Review Letters · doi:10.1103/physrevlett.94.015504 · Cited by 225 · see citing works

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

Zunger, A., Lany, S., & Raebiger, H. (2010) · Physics · doi:10.1103/physics.3.53 · Cited by 217 · see citing works

Analytic bond-order potentials beyond Tersoff-Brenner. I. Theory

Pettifor, D. G., & Oleinik, I. I. (1999) · Physical review. B, Condensed matter · doi:10.1103/physrevb.59.8487 · Cited by 216 · see citing works

Why Spin Ice Obeys the Ice Rules

Isakov, S. V., Moessner, R., & Sondhi, S. L. (2005) · Physical Review Letters · doi:10.1103/physrevlett.95.217201 · Cited by 207 · see citing works

Charge transport and mass transport in imidazolium-based ionic liquids

Sangoro, J. R., Serghei, A., Наумов, С. В., Galvosas, P., Jörg Kärger, A., Wespe, C., Bordusa, F., & Kremer, F. (2008) · Physical Review E · doi:10.1103/physreve.77.051202 · Cited by 203 · see citing works

Chemical structure and physical properties of diamond-like amorphous carbon films prepared by magnetron sputtering

Cho, N.-H., Krishnan, K. M., Veirs, D., Rubin, M., Hopper, C. B., Bhushan, B., & Bogy, D. B. (1990) · Journal of materials research/Pratt's guide to venture capital sources · doi:10.1557/jmr.1990.2543 · Cited by 198 · see citing works

Filling Fraction Limit for Intrinsic Voids in Crystals: Doping in Skutterudites

Shi, X., Zhang, W., Chen, L., & Yang, J. (2005) · Physical Review Letters · doi:10.1103/physrevlett.95.185503 · Cited by 193 · see citing works

Chemical bonding, conductive network, and thermoelectric performance of the ternary semiconductors Cu 2 Sn X 3 ( X = Se, S) from first principles

Xi, L., Zhang, Y. B., Shi, X., Yang, J., Shi, X., Chen, L., Zhang, W., Yang, J., & Singh, D. J. (2012) · Physical Review B · doi:10.1103/physrevb.86.155201 · Cited by 192 · see citing works

Strong covalent bonding between two graphene layers

de Andrés, P. L., Ramı́rez, R., & Vergés, J. A. (2008) · Physical Review B · doi:10.1103/physrevb.77.045403 · Cited by 186 · see citing works

Chemical and electronic characterization of methyl-terminated Si(111) surfaces by high-resolution synchrotron photoelectron spectroscopy

Hunger, R., Fritsche, R., Jaeckel, B., Jaegermann, W., Webb, L. J., & Lewis, N. S. (2005) · Physical Review B · doi:10.1103/physrevb.72.045317 · Cited by 175 · see citing works

Liquid-Gas Critical Behavior in a Frustrated Pyrochlore Ferromagnet

Harris, M., Bramwell, S. T., Holdsworth, P. C. W., & Champion, J. D. M. (1998) · Physical Review Letters · doi:10.1103/physrevlett.81.4496 · Cited by 171 · see citing works

Quantum fluctuations in the effective pseudospin- 12 model for magnetic pyrochlore oxides

Onoda, S., & Tanaka, Y. (2011) · Physical Review B · doi:10.1103/physrevb.83.094411 · Cited by 169 · see citing works

Diffusion of Atomic Oxygen in SiO 2

Hamann, D. R. (1998) · Physical Review Letters · doi:10.1103/physrevlett.81.3447 · Cited by 149 · see citing works

Structure and Function of Nucleosides and Nucleotides

Saenger, W. (1973) · Angewandte Chemie International Edition in English · doi:10.1002/anie.197305911 · Cited by 147 · see citing works

Nitric Oxide Compounds of Transition Metals

Johnson, B. F. G., & McCleverty, J. A. (1966) · Progress in inorganic chemistry · doi:10.1002/9780470166086.ch5 · Cited by 142 · see citing works

Possible high-temperature superconducting state with a d + i d pairing symmetry in doped graphene

Pathak, S., Shenoy, V. B., & Baskaran, G. (2010) · Physical Review B · doi:10.1103/physrevb.81.085431 · Cited by 142 · see citing works

Correlation between structure and physical properties of chalcogenide glasses in the AsxSe1−x system

Yang, G., Bureau, B., Rouxel, T., Guéguen, Y., Gulbiten, O., Roiland, C., Soignard, E., Yarger, J. L., Trolès, J., Sanglebœuf, J., et al. (2010) · Physical Review B · doi:10.1103/physrevb.82.195206 · Cited by 136 · see citing works

Screened empirical bond-order potentials for Si-C

Pastewka, L., Klemenz, A., Gumbsch, P., & Moseler, M. (2013) · Physical Review B · doi:10.1103/physrevb.87.205410 · Cited by 133 · see citing works

Magnetic phase transition in two-phase multiferroics predicted from first principles

Fechner, M., Maznichenko, I. V., Ostanin, S., Ernst, A., Henk, J., Bruno, P., & Mertig, I. (2008) · Physical Review B · doi:10.1103/physrevb.78.212406 · Cited by 133 · see citing works

Orthorhombic Intermediate State in the Zinc Blende to Rocksalt Transformation Path of SiC at High Pressure

Catti, M. (2001) · Physical Review Letters · doi:10.1103/physrevlett.87.035504 · Cited by 125 · see citing works

Realizing Colloidal Artificial Ice on Arrays of Optical Traps

Libál, A., Reichhardt, C. J. O., & Reichhardt, C. J. O. (2006) · Physical Review Letters · doi:10.1103/physrevlett.97.228302 · Cited by 124 · see citing works

Electronic structure and effective chemical and magnetic exchange interactions in bcc Fe-Cr alloys

Korzhavyi, P. A., Ruban, A. V., Odqvist, J., Nilsson, J.-O., & Johansson, B. (2009) · Physical Review B · doi:10.1103/physrevb.79.054202 · Cited by 122 · see citing works

How the nature of the chemical bond governs resistance to amorphization by radiation damage

Trachenko, K., Pruneda, M., Artacho, E., & Dove, M. T. (2005) · Physical Review B · doi:10.1103/physrevb.71.184104 · Cited by 121 · see citing works

Interlayer Self-Diffusion on Stepped Pt(111)

Feibelman, P. J. (1998) · Physical Review Letters · doi:10.1103/physrevlett.81.168 · Cited by 119 · see citing works

What Is a Simple Liquid?

Ingebrigtsen, T. S., Schrøder, T. B., & Dyre, J. C. (2012) · Physical Review X · doi:10.1103/physrevx.2.011011 · Cited by 117 · see citing works

Intermediate phase, network demixing, boson and floppy modes, and compositional trends in glass transition temperatures of binary As x S 1 − x system

Chen, P., Holbrook, C., Boolchand, P., Georgiev, D. G., Jackson, K. A., & Micoulaut, M. (2008) · Physical Review B · doi:10.1103/physrevb.78.224208 · Cited by 112 · see citing works

Dynamic Spin Ice: Pr 2 Sn 2 O 7

Zhou, H. D., Wiebe, C. R., Janik, J. A., Balicas, L., Yo, Y., Qiu, Y., Copley, J. R. D., & Gardner, J. S. (2008) · Physical Review Letters · doi:10.1103/physrevlett.101.227204 · Cited by 111 · see citing works

Quantum Interference Scattering of Aligned Molecules: Bonding in O4 and Role of Spin Coupling

Aquilanti, V., Ascenzi, D., Bartolomei, M., Cappelletti, D., Cavalli, S., Vı́tores, M. D. C., & Pirani, F. (1999) · Physical Review Letters · doi:10.1103/physrevlett.82.69 · Cited by 109 · see citing works

Darstellung und Struktur von Na4Ge2S6 · 14H2O und Na4Sn2S6 · 14H2O

Krebs, B., Pohl, S., & Schiwy, W. (1972) · Zeitschrift für anorganische und allgemeine Chemie · doi:10.1002/zaac.19723930307 · Cited by 109 · see citing works

Theory of Systematic Absence of NaCl-Type ( β -Sn–Type) High Pressure Phases in Covalent (Ionic) Semiconductors

Ozoliņš, V., & Zunger, A. (1999) · Physical Review Letters · doi:10.1103/physrevlett.82.767 · Cited by 108 · see citing works

The Trans Effect in Metal Complexes

Basolo, F., & Pearson, R. G. (1962) · Progress in inorganic chemistry · doi:10.1002/9780470166055.ch6 · Cited by 101 · see citing works

Prediction and Observation of Crystal Structures of Oppositely Charged Colloids

Hynninen, A., Christova, C. G., van Roij, R., van Blaaderen, A., & Dijkstra, M. (2006) · Physical Review Letters · doi:10.1103/physrevlett.96.138308 · Cited by 98 · see citing works

Chemical and electronic structures of liquid methanol from x-ray emission spectroscopy and density functional theory

Kashtanov, S., Augustson, A., Rubensson, J., Nordgren, J., Ågren, H., Guo, J., & Luo, Y. (2005) · Physical Review B · doi:10.1103/physrevb.71.104205 · Cited by 97 · see citing works

Refitted tetrahedral covalent radii for solids

Pyykkö, P. (2012) · Physical Review B · doi:10.1103/physrevb.85.024115 · Cited by 94 · see citing works

Approaching the Ground State of the Kagomé Antiferromagnet

Schweika, W., Valldor, M., & Lemmens, P. (2007) · Physical Review Letters · doi:10.1103/physrevlett.98.067201 · Cited by 93 · see citing works

First-shell bond lengths in SixGe1−x crystalline alloys

Aubry, J. C., Tyliszczak, T., Hitchcock, A. P., Baribeau, J. ‐., & Jackman, T. E. (1999) · Physical review. B, Condensed matter · doi:10.1103/physrevb.59.12872 · Cited by 93 · see citing works

Self-consistent solution for proximity effect and Josephson current in ballistic graphene SNS Josephson junctions

Black‐Schaffer, A. M., & Doniach, S. (2008) · Physical Review B · doi:10.1103/physrevb.78.024504 · Cited by 91 · see citing works

Theory of paramagnetic scattering in highly frustrated magnets with long-range dipole-dipole interactions: The case of the Tb 2 Ti 2 O 7 pyrochlore antiferromagnet

Enjalran, M., & Gingras, M. J. P. (2004) · Physical Review B · doi:10.1103/physrevb.70.174426 · Cited by 88 · see citing works

Structure of Se-rich As-Se glasses by high-resolution x-ray photoelectron spectroscopy

Golovchak, R., Kovalskiy, A. P., Miller, A. C., Jain, H., & Shpotyuk, O. I. (2007) · Physical Review B · doi:10.1103/physrevb.76.125208 · Cited by 87 · see citing works

Observation of Electronic States on Si(111)- (7×7) through Short-Range Attractive Force with Noncontact Atomic Force Spectroscopy

Arai, T., & Tomitori, M. (2004) · Physical Review Letters · doi:10.1103/physrevlett.93.256101 · Cited by 87 · see citing works

Hydrogen in α -iron: Stress and diffusion

Sánchez-Montero, J., Fullea, J., Andrade, C., & de Andrés, P. L. (2008) · Physical Review B · doi:10.1103/physrevb.78.014113 · Cited by 86 · see citing works

Many-Body Effects in fcc Metals: A Lennard-Jones Embedded-Atom Potential

Baskes, M. I. (1999) · Physical Review Letters · doi:10.1103/physrevlett.83.2592 · Cited by 84 · see citing works

Manifestation of geometric frustration on magnetic and thermodynamic properties of the pyrochlores Sm2X2O7 (X=Ti,Zr)

Singh, S., Saha, S., Dhar, S. K., Suryanarayanan, R., Sood, A. K., & Revcolevschi, A. (2008) · Physical Review B · doi:10.1103/physrevb.77.054408 · Cited by 81 · see citing works

Strongly correlated fermions on a kagome lattice

O’Brien, A., Pollmann, F., & Fulde, P. (2010) · Physical Review B · doi:10.1103/physrevb.81.235115 · Cited by 75 · see citing works

Conformational dependence of electrostatic potential derived charges of a lipid headgroup: Glycerylphosphorylcholine

Stouch, T. R., & Williams, D. E. (1992) · Journal of Computational Chemistry · doi:10.1002/jcc.540130512 · Cited by 77 · see citing works

Spin Extraction Theory and Its Relevance to Spintronics

Dery, H., & Sham, L. J. (2007) · Physical Review Letters · doi:10.1103/physrevlett.98.046602 · Cited by 76 · see citing works

Temperature-dependent Raman and x-ray studies of the spin-ice pyrochlore Dy2Ti2O7 and nonmagnetic pyrochlore Lu2Ti2O7

Saha, S., Singh, S., Dkhil, B., Dhar, S. K., Suryanarayanan, R., Dhalenne, G., Revcolevschi, A., & Sood, A. K. (2008) · Physical Review B · doi:10.1103/physrevb.78.214102 · Cited by 75 · see citing works

Electronic structure investigation of Ti3AlC2 , Ti3SiC2 , and Ti3GeC2 by soft x-ray emission spectroscopy

Magnuson, M., Palmquist, J. P., Mattesini, M., Li, S., Ahuja, R., Eriksson, O., Emmerlich, J., Wilhelmsson, O., Eklund, P., Högberg, H., et al. (2005) · Physical Review B · doi:10.1103/physrevb.72.245101 · Cited by 74 · see citing works

Ice: A strongly correlated proton system

Neto, A. H. C., Pujol, P., & Fradkin, E. (2006) · Physical Review B · doi:10.1103/physrevb.74.024302 · Cited by 71 · see citing works

Experimental Synthesis of Theoretically Predicted Multivalent Ternary Nitride Materials

Zakutayev, A., Bauers, S. R., & Lany, S. (2022) · Chemistry of Materials · doi:10.1021/acs.chemmater.1c03014 · Cited by 73 · see citing works

Photoelectron Diffraction Imaging for C2H2 and C2H4 Chemisorbed on Si(100) Reveals a New Bonding Configuration

Xu, S., Keeffe, M. E., Yang, Y., Chen, C., Yu, M., Lapeyre, G. J., Rotenberg, E., Denlinger, J. D., & Yates, J. T. (2000) · Physical Review Letters · doi:10.1103/physrevlett.84.939 · Cited by 73 · see citing works

Sharp Rigid to Floppy Phase Transition Induced by Dangling Ends in a Network Glass

Wang, Y., Wells, J., Georgiev, D. G., Boolchand, P., Jackson, K. A., & Micoulaut, M. (2001) · Physical Review Letters · doi:10.1103/physrevlett.87.185503 · Cited by 72 · see citing works

Strong electrostatic interactions in spherical colloidal systems

Messina, R., Holm, C., & Kremer, K. (2001) · Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics · doi:10.1103/physreve.64.021405 · Cited by 72 · see citing works

Local structure of InxGa1−xAs semiconductor alloys by high-energy synchrotron x-ray diffraction

Jeong, I.-K., Mohiuddin-Jacobs, F., Petkov, V. G., Billinge, S. J. L., & Kycia, S. (2001) · Physical review. B, Condensed matter · doi:10.1103/physrevb.63.205202 · Cited by 70 · see citing works

Conformational dependence of electrostatic potential‐derived charges: Studies of the fitting procedure

Stouch, T. R., & Williams, D. E. (1993) · Journal of Computational Chemistry · doi:10.1002/jcc.540140711 · Cited by 69 · see citing works

Enhancing Perfluorinated electron specialty gases separation selectivity in ultra-microporous metal organic framework

Wu, Y., Wang, S., Zhang, W., Chen, S., Zhang, Z., Yang, B., Li, S., & Ma, H. (2022) · Separation and Purification Technology · doi:10.1016/j.seppur.2022.120739 · Cited by 67 · see citing works

Dynamics of the magnetic susceptibility deep in the Coulomb phase of the dipolar spin ice material Ho 2 Ti 2 O 7

Quilliam, J. A., Yaraskavitch, L. R., Dabkowska, H. A., Gaulin, B. D., & Kycia, J. B. (2011) · Physical Review B · doi:10.1103/physrevb.83.094424 · Cited by 67 · see citing works

Structural and chemical trends in doped silicon nanocrystals: First-principles calculations

Zhou, Z., Steigerwald, M. L., Friesner, R. A., Brus, L. E., & Hybertsen, M. S. (2005) · Physical Review B · doi:10.1103/physrevb.71.245308 · Cited by 66 · see citing works

Structure and dynamics in amorphous tellurium and Te n clusters: A density functional study

Akola, J., & Jones, R. (2012) · Physical Review B · doi:10.1103/physrevb.85.134103 · Cited by 65 · see citing works

Molecular Adsorption Bond Lengths at Metal Oxide Surfaces: Failure of Current Theoretical Methods

Hoeft, J., Kittel, M., Polcik, M., Bao, S., Toomes, R. L., Kang, J. –., Woodruff, D. P., Pascal, M., & Lamont, C. L. A. (2001) · Physical Review Letters · doi:10.1103/physrevlett.87.086101 · Cited by 65 · see citing works

X-ray-absorption studies of thed-orbital occupancies of selected 4d/5dtransition metals compounded with group-III/IV ligands

Jeon, Y., Chen, J., & Croft, M. (1994) · Physical review. B, Condensed matter · doi:10.1103/physrevb.50.6555 · Cited by 65 · see citing works

Prediction of ordered structures in the bcc binary systems of Mo, Nb, Ta, and W from first-principles search of approximately 3,000,000 possible configurations

Blüm, V., & Zunger, A. (2005) · Physical Review B · doi:10.1103/physrevb.72.020104 · Cited by 64 · see citing works

High-dimensional fractionalization and spinon deconfinement in pyrochlore antiferromagnets

Nussinov, Z., Batista, C. D., Normand, B., & Trugman, S. A. (2007) · Physical Review B · doi:10.1103/physrevb.75.094411 · Cited by 63 · see citing works

Reconciling the Pauling bond length picture and Vegard’s law in a mixed crystal: An x-ray fluorescence holographic study

Hosokawa, S., Happo, N., & Hayashi, K. (2009) · Physical Review B · doi:10.1103/physrevb.80.134123 · Cited by 64 · see citing works

Perturbation theory of exchange interaction

Chen, C. J., & Wiesendanger, R. (2006) · Physical Review B · doi:10.1103/physrevb.74.113102 · Cited by 63 · see citing works

Gapless Spin-1 Neutral Collective Mode Branch for Graphite

Baskaran, G., & Jafari, S. A. (2002) · Physical Review Letters · doi:10.1103/physrevlett.89.016402 · Cited by 63 · see citing works

Multistate modified embedded atom method

Baskes, M. I., Srinivasan, S. G., Valone, S. M., & Hoagland, R. G. (2007) · Physical Review B · doi:10.1103/physrevb.75.094113 · Cited by 63 · see citing works

Electronic properties of barium chalcogenides from first-principles calculations: Tailoring wide-band-gap II-VI semiconductors

Lin, G., Gong, H., & Wu, P. (2005) · Physical Review B · doi:10.1103/physrevb.71.085203 · Cited by 63 · see citing works

Theoretical study of the filling fraction limits for impurities in CoSb3

Shi, X., Zhang, W., Chen, L., Yang, J., & Uher, C. (2007) · Physical Review B · doi:10.1103/physrevb.75.235208 · Cited by 62 · see citing works

Ab initiodetermination of the atomistic structure of SixGe1−x alloy

Venezuela, P. P. M., Dalpian, G. M., da Silva, A. J. R., & Fazzio, A. (2001) · Physical review. B, Condensed matter · doi:10.1103/physrevb.64.193202 · Cited by 60 · see citing works

Magnetism of chalcopyrite semiconductors: Cd1−xMnxGeP2

Zhao, Y., Geng, W. T., Freeman, A. J., & Oguchi, T. (2001) · Physical review. B, Condensed matter · doi:10.1103/physrevb.63.201202 · Cited by 60 · see citing works

Long-Range Spin Transfer in Triple Quantum Dots

Sánchez, R., Granger, G., Gaudreau, L., Kam, A., Pioro-Ladrière, M., Studenikin, S. A., Zawadzki, P., Sachrajda, A. S., & Platero, G. (2014) · Physical Review Letters · doi:10.1103/physrevlett.112.176803 · Cited by 59 · see citing works

Chromium site selective substitution in Ca3Co2O6 : Influence on the magnetic properties of an Ising-like triangular lattice

Flahaut, D., Maignan, A., Hébert, S., Martin, C., Retoux, R., & Hardy, V. (2004) · Physical Review B · doi:10.1103/physrevb.70.094418 · Cited by 57 · see citing works

Ab initiostudy of Mg(AlH4)2

van Setten, M. J., de Wijs, G. A., Popa, V. A., & Brocks, G. (2005) · Physical Review B · doi:10.1103/physrevb.72.073107 · Cited by 57 · see citing works

The Mn K Absorption Edge in Manganese Metal and Manganese Compounds

Hanson, H. P., & Beeman, W. W. (1949) · Physical Review · doi:10.1103/physrev.76.118 · Cited by 57 · see citing works

Importance of electron-electron interactions in the RKKY coupling in graphene

Black‐Schaffer, A. M. (2010) · Physical Review B · doi:10.1103/physrevb.82.073409 · Cited by 54 · see citing works

Structural and magnetic properties of spin chain compounds Ca3Co2−xFexO6

Jain, A., Meena, S. S., & Yusuf, S. M. (2006) · Physical Review B · doi:10.1103/physrevb.74.174419 · Cited by 52 · see citing works

Formation of nanoscale fine-structured silicon by pulsed laser ablation in hydrogen background gas

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Calculations of acceptor ionization energies in GaN

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