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Most cited papers in Solid-state spectroscopy and crystallography

Solid-state spectroscopy and crystallography

What are the most cited papers in Solid-state spectroscopy and crystallography?

The most cited paper in Solid-state spectroscopy and crystallography is "Efficient pseudopotentials for plane-wave calculations" (N. Troullier, José Luı́s Martins, 1991), with 16,228 citations. Next come "Phonons and related crystal properties from density-functional perturbation theory" (10,098) and "Natural population analysis" (9,984).

Showing 50 of 100 papers. Every paper with more than 1,272 citations is listed.

Most cited papers, sortable by citations and release date
#Paper
1 Efficient pseudopotentials for plane-wave calculations N. Troullier, José Luı́s Martins · Physical review. B, Condensed matter 15 Jan 1991 16,228
2 Phonons and related crystal properties from density-functional perturbation theory Stefano Baroni, Stefano de Gironcoli, Andrea Dal Corso et al. · Reviews of Modern Physics Open access 6 Jul 2001 10,098
3 Natural population analysis Alan E. Reed, Robert B. Weinstock, Frank Weinhold · The Journal of Chemical Physics 15 Jul 1985 9,984
4 Nanocrystals of Cesium Lead Halide Perovskites (CsPbX 3 , X = Cl, Br, and I): Novel Optoelectronic Materials Showing Bright Emission with Wide Color Gamut Loredana Proteşescu, Sergii Yakunin, Maryna I. Bodnarchuk et al. · Nano Letters Open access 29 Jan 2015 9,186
5 A Theory of Sensitized Luminescence in Solids David L. Dexter · The Journal of Chemical Physics May 1953 9,011
6 EasySpin, a comprehensive software package for spectral simulation and analysis in EPR Stefan W. Stoll, Arthur Schweiger · Journal of Magnetic Resonance 27 Sep 2005 6,580
7 Compositional engineering of perovskite materials for high-performance solar cells Nam Joong Jeon, Jun Hong Noh, Woon Seok Yang et al. · Nature 2015 6,449
8 Electron-hole diffusion lengths > 175 μm in solution-grown CH 3 NH 3 PbI 3 single crystals Qingfeng Dong, Yanjun Fang, Yuchuan Shao et al. · Science 29 Jan 2015 5,637
9 Roothaan-Hartree-Fock atomic wavefunctions Enrico Clementi, Carla Roetti · Atomic Data and Nuclear Data Tables Sep 1974 5,528
10 First-principles calculations of the ferroelastic transition between rutile-type and CaCl 2 -type SiO 2 at high pressures Atsushi Togo, Fumiyasu Oba, Isao Tanaka · Physical Review B Open access 14 Oct 2008 5,518
11 Iodide management in formamidinium-lead-halide–based perovskite layers for efficient solar cells Woon Seok Yang, Byung-Wook Park, Eui Hyuk Jung et al. · Science 30 Jun 2017 5,458
12 Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties Constantinos C. Stoumpos, Christos D. Malliakas, Mercouri G. Kanatzidis · Inorganic Chemistry 8 Jul 2013 5,440
13 Dielectric relaxation in solids A.K. Jonscher · Journal of Physics D Applied Physics 1999 5,333
14 Low trap-state density and long carrier diffusion in organolead trihalide perovskite single crystals Dong Shi, Valerio Adinolfi, Riccardo Comin et al. · Science 29 Jan 2015 5,147
15 Spin Echoes Erwin Louis Hahn · Physical Review 15 Nov 1950 5,051
16 Modelling one‐ and two‐dimensional solid‐state NMR spectra Dominique Massiot, Franck Fayon, Mickaël Capron et al. · Magnetic Resonance in Chemistry 10 Dec 2001 4,266
17 Solitons in conducting polymers Alan J. Heeger, Steven Allan Kivelson, J. R. Schrieffer et al. · Reviews of Modern Physics Jul 1988 3,845
18 Crystal Structure and Pair Potentials: A Molecular-Dynamics Study Michele Parrinello, Ananda Fathur Rahman · Physical Review Letters 6 Oct 1980 3,772
19 Full-potential, linearized augmented plane wave programs for crystalline systems Peter Blaha, Karlheinz Schwarz, P. Sorantin et al. · Computer Physics Communications Jun 1990 3,585
20 Relaxor ferroelectrics Leslie Eric Cross · Ferroelectrics Dec 1987 3,569
21 Dynamical matrices, Born effective charges, dielectric permittivity tensors, and interatomic force constants from density-functional perturbation theory Xavier Gonze, Changyol Lee · Physical review. B, Condensed matter 15 Apr 1997 3,442
22 Superexchange interaction and symmetry properties of electron orbitals Junjiro Kanamori · Journal of Physics and Chemistry of Solids Jul 1959 3,403
23 Infrared and Raman Spectra of Inorganic and Coordination Compounds Kenneth Richard Seddon · Journal of Organometallic Chemistry Jun 1987 3,382
24 Minuit - a system for function minimization and analysis of the parameter errors and correlations Frederick E. James, Matts Roos · Computer Physics Communications Dec 1975 3,291
25 Fast Lithium Ion Conduction in Garnet‐Type Li 7 La 3 Zr 2 O 12 Ramaswamy Murugan, Venkataraman Thangadurai, W. Weppner · Angewandte Chemie International Edition 5 Sep 2007 3,245
26 Origin of ferroelectricity in perovskite oxides R. E. Cohen · Nature Jul 1992 3,191
27 Pseudo-halide anion engineering for α-FAPbI3 perovskite solar cells Jaeki Jeong et al. · Nature Open access 5 Apr 2021 3,101
28 Organic–Inorganic Perovskites: Structural Versatility for Functional Materials Design Bayrammurad Saparov, David B. Mitzi · Chemical Reviews ReviewOpen access 4 Apr 2016 2,908
29 Ionic transport in hybrid lead iodide perovskite solar cells Christopher Eames, Jarvist Moore Frost, Piers R. F. Barnes et al. · Nature Communications Open access 24 Jun 2015 2,876
30 An efficient method for the evaluation of coupling coefficients in configuration interaction calculations Peter J. Knowles, Hans‐Joachim Werner · Chemical Physics Letters Apr 1988 2,871
31 Dielectric polarizabilities of ions in oxides and fluorides ROBERT D. SHANNON · Journal of Applied Physics 1993 2,805
32 Coherence transfer by isotropic mixing: Application to proton correlation spectroscopy L Braunschweiler, Richard R. Ernst · Journal of Magnetic Resonance (1969) Jul 1983 2,656
33 Macroscopic polarization in crystalline dielectrics: the geometric phase approach Raffaele Resta · Reviews of Modern Physics Jul 1994 2,572
34 Synthesis and crystal chemistry of the hybrid perovskite (CH3NH3)PbI3 for solid-state sensitised solar cell applications Tom Baikie, Yanan Fang, Jeannette M. Kadro et al. · Journal of Materials Chemistry A Open access 2013 2,542
35 Proton Conductivity: Materials and Applications Klaus‐Dieter Kreuer · Chemistry of Materials 1996 2,531
36 Proton-enhanced NMR of dilute spins in solids Alexander Pines, M. G. Gibby, John S. Waugh · The Journal of Chemical Physics 15 Jul 1973 2,498
37 Fast Anion-Exchange in Highly Luminescent Nanocrystals of Cesium Lead Halide Perovskites (CsPbX3, X = Cl, Br, I) Georgian Nedelcu, Loredana Proteşescu, Sergii Yakunin et al. · Nano Letters Open access 24 Jul 2015 2,359
38 Raman spectrum of anatase, TiO 2 Toshiaki Ohsaka, Fujio Izumi, Yoshinori Fujiki · Journal of Raman Spectroscopy Dec 1978 2,308
39 Anomalous paramagnetism of copper acetate BREBIS BLEANEY, K D Bowers · Proceedings of the Royal Society of London A Mathematical and Physical Sciences 9 Oct 1952 2,303
40 Stabilizing Perovskite Structures by Tuning Tolerance Factor: Formation of Formamidinium and Cesium Lead Iodide Solid-State Alloys Zhen Li, Mengjin Yang, Ji‐Sang Park et al. · Chemistry of Materials 18 Dec 2015 2,270
41 Efficient and stable emission of warm-white light from lead-free halide double perovskites Jiajun Luo et al. · Nature Open access Nov 2018 2,268
42 Theory of Concentration Quenching in Inorganic Phosphors David L. Dexter, James H. Schulman · The Journal of Chemical Physics Jun 1954 2,260
43 Nonlinear ionic pseudopotentials in spin-density-functional calculations Steven G. Louie, Sverre Froyen, Marvin L. Cohen · Physical review. B, Condensed matter 15 Aug 1982 2,256
44 Nuclear Double Resonance in the Rotating Frame Sven R. Hartmann, Erwin Louis Hahn · Physical Review Dec 1962 2,240
45 Intrinsic Thermal Instability of Methylammonium Lead Trihalide Perovskite Bert Conings, Jeroen Drijkoningen, Nicolas Gauquelin et al. · Advanced Energy Materials 2 Jun 2015 2,238
46 Promises and challenges of perovskite solar cells Juan‐Pablo Correa‐Baena, Michael Saliba, Tonio Buonassisi et al. · Science Open access 9 Nov 2017 2,220
47 The dynamics of charge-density waves George Gruner · Reviews of Modern Physics Oct 1988 2,208
48 Tuning the Optical Properties of Cesium Lead Halide Perovskite Nanocrystals by Anion Exchange Reactions Quinten A. Akkerman, Valerio D’Innocenzo, Sara Accornero et al. · Journal of the American Chemical Society Open access 27 Jul 2015 2,197
49 Impact of microstructure on local carrier lifetime in perovskite solar cells Dane W. de Quilettes, Sarah M. Vorpahl, Samuel D. Stranks et al. · Science 30 Apr 2015 2,194
50 Transport in Proton Conductors for Fuel-Cell Applications: Simulations, Elementary Reactions, and Phenomenology Klaus‐Dieter Kreuer, Stephen J. Paddison, Eckhard Spohr et al. · Chemical Reviews ReviewOpen access 14 Aug 2004 2,177

Citations are OpenAlex's own counts, from its 2026-09-23 snapshot, so the ranking can differ from Google Scholar or Web of Science. A paper is listed for a field when OpenAlex files it under one of the field's topics; retracted papers and papers whose citation count cannot be traced to citing works are left out, and a preprint and the article it became are shown once. Release dates are OpenAlex's: where a source gave only a month or a year, that is what is shown. How the lists are chosen.