material design; material maps; metavalent bonding; property predictors; quantum chemical bonding descriptors; Mechanical Engineering; Mechanics of Materials; General Materials Science
Abstract :
[en] Quantum chemical bonding descriptors have recently been utilized to design materials with tailored properties. We will review their usage to facilitate a quantitative description of bonding in chalcogenides as well as the transition between different bonding mechanisms. More importantly, these descriptors will also be employed as property predictors for several important material characteristics, including optical and transport properties. Hence, these quantum chemical bonding descriptors can be utilized to tailor material properties of chalcogenides relevant for thermoelectrics, photovoltaics and phase change memories. Relating material properties to bonding mechanisms also shows that there is a class of materials, which are characterized by unconventional properties such as a pronounced anharmonicity, a large chemical bond polarizability, and strong optical absorption. This unusual property portfolio is attributed to a novel bonding mechanism, fundamentally different from ionic, metallic and covalent bonding, which has been called "metavalent". In the concluding chapter, a number of promising research directions are sketched, which explore the nature of the property changes upon changing bonding mechanism and extend the concept of quantum chemical property predictors to more complex compounds.
Disciplines :
Physics
Author, co-author :
Wuttig, Matthias; I. Institute of Physics, Physics of Novel Materials, RWTH Aachen University, 52056, Aachen, Germany ; Jülich-Aachen Research Alliance (JARA FIT and JARA HPC), RWTH Aachen University, 52056, Aachen, Germany ; PGI 10 (Green IT), Forschungszentrum Jülich GmbH, 52428, Jülich, Germany
Schön, Carl-Friedrich; I. Institute of Physics, Physics of Novel Materials, RWTH Aachen University, 52056, Aachen, Germany
Lötfering, Jakob; I. Institute of Physics, Physics of Novel Materials, RWTH Aachen University, 52056, Aachen, Germany
Golub, Pavlo; J. Heyrovský Institute of Physical Chemistry, Department of Theoretical Chemistry, Dolejškova 2155/3, Prague 8, 182 23, Czech Republic
Gatti, Carlo; CNR-SCITEC, Istituto di Scienze e Tecnologie Chimiche "Giulio Natta", sezione di via Golgi, via Golgi 19, Milano, 20133, Italy
Raty, Jean-Yves ; Université de Liège - ULiège > Département de chimie (sciences)
Language :
English
Title :
Revisiting the Nature of Chemical Bonding in Chalcogenides to Explain and Design their Properties.
Publication date :
18 May 2023
Journal title :
Advanced Materials
ISSN :
0935-9648
eISSN :
1521-4095
Publisher :
Wiley, Germany
Volume :
35
Issue :
20
Pages :
2208485
Peer reviewed :
Peer Reviewed verified by ORBi
Tags :
CÉCI : Consortium des Équipements de Calcul Intensif
F.R.S.-FNRS - Fonds de la Recherche Scientifique [BE] CÉCI - Consortium des Équipements de Calcul Intensif [BE] DGTRE - Région wallonne. Direction générale des Technologies, de la Recherche et de l'Énergie [BE]
M. Kulbak, D. Cahen, G. Hodes, J. Phys. Chem. Lett. 2015, 6, 2452.
M. A. Green, A. Ho-Baillie, H. J. Snaith, Nat. Photonics 2014, 8, 506.
M. Liu, M. B. Johnston, H. J. Snaith, Nature 2013, 501, 395.
H.-S. Kim, C.-R. Lee, J.-H. Im, K.-B. Lee, T. Moehl, A. Marchioro, S.-J. Moon, R. Humphry-Baker, J.-H. Yum, J. E. Moser, M. Grätzel, N.-G. Park, Sci. Rep. 2012, 2, 591.
A. Kojima, K. Teshima, Y. Shirai, T. Miyasaka, J. Am. Chem. Soc. 2009, 131, 6050.
M. Wuttig, C.-F. Schön, M. Schumacher, J. Robertson, P. Golub, E. Bousquet, C. Gatti, J.-Y. Raty, Adv. Funct. Mater. 2022, 32, 2110166.
M. I. Eremets, V. S. Minkov, A. P. Drozdov, P. P. Kong, V. Ksenofontov, S. I. Shylin, S. L. Bud'ko, R. Prozorov, F. F. Balakirev, D. Sun, S. Mozaffari, L. Balicas, J. Supercond. Novel Magn. 2022, 35, 965.
A. Hayat, P. Zareapour, S. Y. F. Zhao, A. Jain, I. G. Savelyev, M. Blumin, Z. Xu, A. Yang, G. D. Gu, H. E. Ruda, S. Jia, R. J. Cava, A. M. Steinberg, K. S. Burch, Phys. Rev. X 2012, 2, 41019.
C. Felser, X.-L. Qi, MRS Bull. 2014, 39, 843.
H. J. Snaith, Nat. Mater. 2018, 17, 372.
M. G. Vergniory, B. J. Wieder, L. Elcoro, S. S. P. Parkin, C. Felser, B. A. Bernevig, N. Regnault, Science 2022, 376, eabg9094.
M. Wuttig, N. Yamada, Nat. Mater. 2007, 6, 824.
A. Jain, S. P. Ong, G. Hautier, W. Chen, W. D. Richards, S. Dacek, S. Cholia, D. Gunter, D. Skinner, G. Ceder, K. A. Persson, APL Mater. 2013, 1, 11002.
S. Curtarolo, W. Setyawan, G. L. Hart, M. Jahnatek, R. V. Chepulskii, R. H. Taylor, S. Wang, J. Xue, K. Yang, O. Levy, M. J. Mehl, H. T. Stokes, D. O. Demchenko, D. Morgan, Comput. Mater. Sci. 2012, 58, 218.
A. Zunger, Nat. Rev. Chem. 2018, 2, 0121.
K. Gavroglou, Neither Physics Nor Chemistry: A History of Quantum Chemistry, MIT Press, Cambridge, UK 2011.
L. Pauling, Cornell University, Cornell University Press, The Nature of the Chemical Bond and the Structure of Molecules and Crystals: An Introduction to Modern Structural Chemistry, Cornell University Press, Ithaca, NY, USA 1960.
S. G. Brush, Stud. Hist. Philos. Sci., Part A 1999, 30, 21.
S. G. Brush, Stud. Hist. Philos. Sci., Part A 1999, 30, 263.
S. Shaik, P. C. Hiberty, in Reviews in Computational Chemistry (Eds: K. B. Lipkowitz, R. Larter, T. R. Cundari), John Wiley & Sons, Ltd., New York 2004, p. 1.
J. C. Slater, Phys. Rev. 1932, 41, 255.
J. H. van Vleck, A. Sherman, Rev. Mod. Phys. 1935, 7, 167.
Walter Kohn Nobel Prize lecture, https://www.nobelprize.org/uploads/2018/06/kohn-lecture.pdf (accessed: November 2022).
J. H. van Vleck, Phys. Rev. 1936, 49, 232.
Á. M. Pendás, C. Gatti, in Complementary Bonding Analysis (Ed: S. Grabowsky), DeGruyter, Boston, MA, USA 2021.
P. L. A. Popelier, in Applications of Topological Methods in Molecular Chemistry, Springer, Cham, Switzerland 2016, p. 23.
R. F. Bader, Atoms in Molecules: A Quantum Theory, Clarendon Press, Oxford, UK 1990.
C. Gatti, Z. Kristallogr. – Cryst. Mater. 2005, 220, 399.
C. Gatti, T. R. Cundari, in Modern Charge-Density Analysis, (Eds: C. Gatti, P. Macchi), Springer, Dordrecht, The Netherlands 2011, p. 1.
G. Saleh, D. Ceresoli, G. Macetti, C. Gatti, in Computational Materials Discovery (Eds: A. R. Oganov, G. Saleh, A. G. Kvashnin), Royal Society of Chemistry, London, UK 2018, pp. 117–175.
P. Golub, A. I. Baranov, J. Chem. Phys. 2016, 145, 154107.
A. I. Baranov, M. Kohout, J. Comput. Chem. 2011, 32, 2064.
A. Otero-de-la-Roza, E. R. Johnson, V. Luaña, Comput. Phys. Commun. 2014, 185, 1007.
R. Dronskowski, P. E. Bloechl, J. Phys. Chem. 1993, 97, 8617.
S. Maintz, V. L. Deringer, A. L. Tchougréeff, R. Dronskowski, J. Comput. Chem. 2016, 37, 1030.
A. Genoni, L. Bučinský, N. Claiser, J. Contreras-García, B. Dittrich, P. M. Dominiak, E. Espinosa, C. Gatti, P. Giannozzi, J.-M. Gillet, D. Jayatilaka, P. Macchi, A. Ø. Madsen, L. Massa, C. F. Matta, K. M. Merz, P. N. H. Nakashima, H. Ott, U. Ryde, K. Schwarz, M. Sierka, S. Grabowsky, Chemistry 2018, 24, 10881.
T. S. Koritsanszky, P. Coppens, Chem. Rev. 2001, 101, 1583.
R. F. Stewart, Chem. Phys. Lett. 1979, 65, 335.
P. Coppens, X-Ray Charge Densities and Chemical Bonding, International Union of Crystallography, New York 1997.
H. Kasai, K. Tolborg, M. Sist, J. Zhang, V. R. Hathwar, M. Ø. Filsø, S. Cenedese, K. Sugimoto, J. Overgaard, E. Nishibori, B. B. Iversen, Nat. Mater. 2018, 17, 249.
K. Tolborg, B. B. Iversen, Chemistry 2019, 25, 15010.
B. D. Dunnington, J. R. Schmidt, J. Chem. Theory Comput. 2012, 8, 1902.
N. Marzari, A. A. Mostofi, J. R. Yates, I. Souza, D. Vanderbilt, Rev. Mod. Phys. 2012, 84, 1419.
R. Hoffmann, Solids and Surfaces: A Chemist's View of Bonding in Extended Structures, John Wiley & Sons, New York 2002.
P. Ball, Nature 2011, 469, 26.
M. L. Cohen, J. R. Chelikowsky, in Electronic Structure and Optical Properties of Semiconductors, (Eds: M. Cardona, P. Fulde, K. von Klitzing, H.-J. Queisser), Springer, Berlin/Heidelberg, Germany 1988, p. 172.
H. Krebs, Fundamentals of Inorganic Crystal Chemistry, McGraw-Hill, New York 1968.
G. Lucovsky, R. M. White, Phys. Rev. B 1973, 8, 660.
K. Shportko, S. Kremers, M. Woda, D. Lencer, J. Robertson, M. Wuttig, Nat. Mater. 2008, 7, 653.
J. Hempelmann, P. C. Müller, C. Ertural, R. Dronskowski, Angew. Chem., Int. Ed. 2022, 61, e202115778.
T. H. Lee, S. R. Elliott, Adv. Mater. 2020, 32, 2000340.
P. Giannozzi, S. Baroni, N. Bonini, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, G. L. Chiarotti, M. Cococcioni, I. Dabo, A. Dal Corso, S. de Gironcoli, S. Fabris, G. Fratesi, R. Gebauer, U. Gerstmann, C. Gougoussis, A. Kokalj, M. Lazzeri, L. Martin-Samos, N. Marzari, F. Mauri, R. Mazzarello, S. Paolini, A. Pasquarello, L. Paulatto, C. Sbraccia, S. Scandolo, G. Sclauzero, A. P. Seitsonen, et al., J. Phys.: Condens. Matter 2009, 21, 395502.
P. Giannozzi, O. Andreussi, T. Brumme, O. Bunau, M. Buongiorno Nardelli, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, M. Cococcioni, N. Colonna, I. Carnimeo, A. Dal Corso, S. de Gironcoli, P. Delugas, R. A. DiStasio, A. Ferretti, A. Floris, G. Fratesi, G. Fugallo, R. Gebauer, U. Gerstmann, F. Giustino, T. Gorni, J. Jia, M. Kawamura, H.-Y. Ko, A. Kokalj, E. Küçükbenli, M. Lazzeri, et al., J. Phys.: Condens. Matter 2017, 29, 465901.
I. Mayer, Chem. Phys. Lett. 1983, 97, 270.
K. B. Wiberg, Tetrahedron 1968, 24, 1083.
P. C. Müller, C. Ertural, J. Hempelmann, R. Dronskowski, J. Phys. Chem. C 2021, 125, 7959.
R. Hoppe, Z. Kristallogr. – Cryst. Mater. 1979, 150, 23.
R. F. W. Bader, Acc. Chem. Res. 1985, 18, 9.
J. G. Angyan, M. Loos, I. Mayer, J. Phys. Chem. 1994, 98, 5244.
R. L. Fulton, S. T. Mixon, J. Phys. Chem. 1993, 97, 7530.
J.-Y. Raty, M. Schumacher, P. Golub, V. L. Deringer, C. Gatti, M. Wuttig, Adv. Mater. 2019, 31, 1806280.
R. Ponec, J. Math. Chem. 1997, 21, 323.
R. Ponec, J. Math. Chem. 1998, 23, 85.
W. L. Luken, Croat. Chem. Acta 1934, 57, 1283.
Y. Cheng, O. Cojocaru-Mirédin, J. Keutgen, Y. Yu, M. Küpers, M. Schumacher, P. Golub, J.-Y. Raty, R. Dronskowski, M. Wuttig, Adv. Mater. 2019, 31, 1904316.
M. Wuttig, V. L. Deringer, X. Gonze, C. Bichara, J.-Y. Raty, Adv. Mater. 2018, 30, 1803777.
A. Heßler, S. Wahl, T. Leuteritz, A. Antonopoulos, C. Stergianou, C.-F. Schön, L. Naumann, N. Eicker, M. Lewin, T. W. W. Maß, M. Wuttig, S. Linden, T. Taubner, Nat. Commun. 2021, 12, 924.
G. N. Lewis, J. Am. Chem. Soc. 1916, 38, 762.
I. Langmuir, J. Am. Chem. Soc. 1919, 41, 868.
A. E. van Arkel, Molecules and Crystals in Inorganic Chemistry, Interscience Publishers, New York 1956.
J. A. A. Ketelaar, Chemical Constitution: An Introduction to the Theory of the Chemical Bond, Amsterdam, The Netherlands 1958.
B. J. Kooi, M. Wuttig, Adv. Mater. 2020, 32, 1908302.
P. B. Littlewood, J. Phys. C: Solid State Phys. 1980, 13, 4855.
J. John, A. N. Bloch, Phys. Rev. Lett. 1974, 33, 1095.
G. Simons, A. N. Bloch, Phys. Rev. B 1973, 7, 2754.
J. C. Phillips, Solid State Commun. 1977, 22, 549.
J. R. Chelikowsky, J. C. Phillips, Phys. Rev. B 1978, 17, 2453.
H. Ibach, H. Lüth, Solid-State Physics: An Introduction to Principles of Materials Science, Springer, Berlin/Heidelberg, Germany 2009.
J.-Y. Raty, M. Wuttig, J. Phys. D: Appl. Phys. 2020, 53, 234002.
C.-F. Schön, S. van Bergerem, C. Mattes, A. Yadav, M. Grohe, L. Kobbelt, M. Wuttig, Sci. Adv. 2022, 8, eade0828.
S. Maier, S. Steinberg, Y. Cheng, C.-F. Schön, M. Schumacher, R. Mazzarello, P. Golub, R. Nelson, O. Cojocaru-Mirédin, J.-Y. Raty, M. Wuttig, Adv. Mater. 2020, 32, 2005533.
E. Fermi, Nuclear Physics, Univ. of Chicago Press, Chicago 1974.
P. A. M. Dirac, Proc. R. Soc. London, Ser. A 1927, 114, 243.
M. K. Brod, M. Y. Toriyama, G. J. Snyder, Chem. Mater. 2020, 32, 9771.
M. Cagnoni, D. Führen, M. Wuttig, Adv. Mater. 2018, 30, 1801787.
P. B. Littlewood, J. Phys. C: Solid State Phys. 1980, 13, 4875.
J. E. Jaffe, A. Zunger, Phys. Rev. B 1983, 28, 5822.
H. Neumann, Cryst. Res. Technol. 1983, 18, 901.
A. Zunger, J. E. Jaffe, Phys. Rev. Lett. 1983, 51, 662.
J. E. Jaffe, A. Zunger, Phys. Rev. B 1984, 29, 1882.
M. Buffiere, D. S. Dhawale, F. El-Mellouhi, Energy Technol. 2019, 7, 1900819.
R. Scheer, Chalcogenide Photovoltaics: Physics, Technologies, and Thin Film Devices, John Wiley & Sons Incorporated, Weinheim, Germany 2008.
D. B. Mitzi, in Progress in Inorganic Chemistry, (Ed: K. D. Karlin), John Wiley & Sons, Ltd., New York 2007, p. 1.
M. M. Lee, J. Teuscher, T. Miyasaka, T. N. Murakami, H. J. Snaith, Science 2012, 338, 643.
S. Raoux, W. Wełnic, D. Ielmini, Chem. Rev. 2010, 110, 240.
N. I. Zheludev, J. Opt. A: Pure Appl. Opt. 2006, 8, S1.
M. Wuttig, H. Bhaskaran, T. Taubner, Nat. Photonics 2017, 11, 465.
B. Huang, J. Robertson, Phys. Rev. B 2010, 81, 81204.
G. Bruns, P. Merkelbach, C. Schlockermann, M. Salinga, M. Wuttig, T. D. Happ, J. B. Philipp, M. Kund, Appl. Phys. Lett. 2009, 95, 43108.
W. Zhang, R. Mazzarello, M. Wuttig, E. Ma, Nat. Rev. Mater. 2019, 4, 150.
D. Loke, T. H. Lee, W. J. Wang, L. P. Shi, R. Zhao, Y. C. Yeo, T. C. Chong, S. R. Elliott, Science 2012, 336, 1566.
C. Persch, M. J. Müller, A. Yadav, J. Pries, N. Honné, P. Kerres, S. Wei, H. Tanaka, P. Fantini, E. Varesi, F. Pellizzer, M. Wuttig, Nat. Commun. 2021, 12, 4978.
P. G. Debenedetti, F. H. Stillinger, Nature 2001, 410, 259.
Y. Yu, M. Cagnoni, O. Cojocaru-Mirédin, M. Wuttig, Adv. Funct. Mater. 2020, 30, 1904862.
S. Shaik, D. Danovich, J. M. Galbraith, B. Braïda, W. Wu, P. C. Hiberty, Angew. Chem., Int. Ed. 2020, 59, 984.
J. K. Burdett, Chemical Bonding in Solids, Oxford University Press, Oxford 1995.
M. Zhu, O. Cojocaru-Mirédin, A. M. Mio, J. Keutgen, M. Küpers, Y. Yu, J.-Y. Cho, R. Dronskowski, M. Wuttig, Adv. Mater. 2018, 30, 1706735.
L. Guarneri, S. Jakobs, A. von Hoegen, S. Maier, M. Xu, M. Zhu, S. Wahl, C. Teichrib, Y. Zhou, O. Cojocaru-Mirédin, M. Raghuwanshi, C.-F. Schön, M. Drögeler, C. Stampfer, R. P. S. M. Lobo, A. Piarristeguy, A. Pradel, J.-Y. Raty, M. Wuttig, Adv. Mater. 2021, 33, 2102356.
M. Raghuwanshi, O. Cojocaru-Mirédin, M. Wuttig, Nano Lett. 2020, 20, 116.
Numerical Data and Functional Relationships in Science and Technology: New Series, Vol. 41C (Eds: O. Madelung, U. Rössler, M. Schulz, O. Madelung, R. Clasen, H. Landolt, R. Börnstein, W. Martienssen), Springer, Berlin, Germany 1998, p. 1.
R. Bochicchio, R. Ponec, A. Torre, L. Lain, Theor. Chem. Acc. 2001, 105, 292.
C. E. Housecroft, A. G. Sharpe, Inorganic Chemistry, Pearson, London, UK 2012.
S. Shaik, D. Danovich, J. M. Galbraith, B. Braïda, W. Wu, P. C. Hiberty, Angew. Chem., Int. Ed. 2020, 59, 984.
D. Kim, personal communication.
A. Gallo-Bueno, M. Kohout, E. Francisco, Á. Martín Pendás, J. Chem. Theory Comput. 2022, 18, 4245.
Y. Luo, Z. Ma, S. Hao, S. Cai, Z.-Z. Luo, C. Wolverton, V. P. Dravid, J. Yang, Q. Yan, M. G. Kanatzidis, J. Am. Chem. Soc. 2022, 144, 1445.
D. Sarkar, S. Roychowdhury, R. Arora, T. Ghosh, A. Vasdev, B. Joseph, G. Sheet, U. V. Waghmare, K. Biswas, Angew. Chem., Int. Ed. 2021, 60, 10350.
C. Rodenkirchen, M. Cagnoni, S. Jakobs, Y. Cheng, J. Keutgen, Y. Yu, M. Wuttig, O. Cojocaru-Mirédin, Adv. Funct. Mater. 2020, 30, 1910039.
M. Al-Fahdi, X. Zhang, M. Hu, J. Mater. Sci. 2021, 56, 18534.
L. Elalfy, D. Music, M. Hu, Phys. Rev. B 2021, 103, 75203.
K. Tolborg, B. B. Iversen, Chem. Mater. 2021, 33, 5308.
K. A. U. Holm, N. Roth, C. M. Zeuthen, K. Tolborg, A. A. Feidenhans'l, B. B. Iversen, Phys. Rev. B 2020, 102, 24112.
K. A. U. Holm, N. Roth, C. M. Zeuthen, B. B. Iversen, Phys. Rev. B 2021, 103, 224302.
A. M. Mio, P. M. Konze, A. Meledin, M. Küpers, M. Pohlmann, M. Kaminski, R. Dronskowski, J. Mayer, M. Wuttig, Adv. Funct. Mater. 2019, 29, 1902332.
P. Noé, A. Verdy, F. d'Acapito, J.-B. Dory, M. Bernard, G. Navarro, J.-B. Jager, J. Gaudin, J.-Y. Raty, Sci. Adv. 2020, 6, eaay2830.
W. J. Yang, T. Ha, B. C. Park, K.-S. Jeong, J. Y. Park, D. Kim, C. Lee, J. Park, M.-H. Cho, ACS Nano 2022, 16, 2024.
V. P. Cuenca-Gotor, J. Á. Sans, O. Gomis, A. Mujica, S. Radescu, A. Muñoz, P. Rodríguez-Hernández, E. L. Da Silva, C. Popescu, J. Ibañez, R. Vilaplana, F. J. Manjón, Phys. Chem. Chem. Phys. 2020, 22, 3352.
N. V. Morozova, I. V. Korobeynikov, N. Miyajima, S. V. Ovsyannikov, Adv. Sci. 2022, 9, e2103720.
J. A. Sans, R. Vilaplana, E. L. Da Silva, C. Popescu, V. P. Cuenca-Gotor, A. Andrada-Chacón, J. Sánchez-Benitez, O. Gomis, A. L. J. Pereira, P. Rodríguez-Hernández, A. Muñoz, D. Daisenberger, B. García-Domene, A. Segura, D. Errandonea, R. S. Kumar, O. Oeckler, P. Urban, J. Contreras-García, F. J. Manjón, Inorg. Chem. 2020, 59, 9900.
C. Bellin, A. Pawbake, L. Paulatto, K. Béneut, J. Biscaras, C. Narayana, A. Polian, D. J. Late, A. Shukla, Phys. Rev. Lett. 2020, 125, 145301.
F. J. Manjón, J. Á. Sans, P. Rodríguez-Hernández, A. Muñoz, Minerals 2021, 11, 1283.
S. Sun, L. Zhu, W. Zhang, Phys. Status Solidi RRL 2022, 16, 2100626.
A. Edwards, A. Pineda, P. Schultz, M. Martin, A. Thompson, H. Hjalmarson, C. Umrigar, Phys. Rev. B 2006, 73, 45210.
T. Siegrist, P. Jost, H. Volker, M. Woda, P. Merkelbach, C. Schlockermann, M. Wuttig, Nat. Mater. 2011, 10, 202.
W. Zhang, A. Thiess, P. Zalden, R. Zeller, P. H. Dederichs, J.-Y. Raty, M. Wuttig, S. Blügel, R. Mazzarello, Nat. Mater. 2012, 11, 952.
K. S. Siegert, F. R. L. Lange, E. R. Sittner, H. Volker, C. Schlockermann, T. Siegrist, M. Wuttig, Rep. Prog. Phys. 2015, 78, 13001.
J. Reindl, H. Volker, N. P. Breznay, M. Wuttig, npj Quantum Mater. 2019, 4, 57.
I. Korzhovska, H. Deng, L. Zhao, Y. Deshko, Z. Chen, M. Konczykowski, S. Zhao, S. Raoux, L. Krusin-Elbaum, npj Quantum Mater. 2020, 5, 39.
Y. Xu, X. Wang, W. Zhang, L. Schäfer, J. Reindl, F. vom Bruch, Y. Zhou, V. Evang, J.-J. Wang, V. L. Deringer, E. Ma, M. Wuttig, R. Mazzarello, Adv. Mater. 2021, 33, 2006221.
D. Giri, L. Williams, A. Mukherjee, K. Rajan, J. Chem. Phys. 2021, 154, 124105.
H. H. H. Osman, F. J. Manjón, Phys. Chem. Chem. Phys. 2022, 24, 9936.
Y. Wu, P. Qiu, Y. Yu, Y. Xiong, T. Deng, O. Cojocaru-Mirédin, M. Wuttig, X. Shi, L. Chen, J. Materiomics 2022, 8, 1095.
M. Küpers, P. M. Konze, S. Maintz, S. Steinberg, A. M. Mio, O. Cojocaru-Mirédin, M. Zhu, M. Müller, M. Luysberg, J. Mayer, M. Wuttig, R. Dronskowski, Angew. Chem., Int. Ed. 2017, 56, 10204.
K. Momma, F. Izumi, J. Appl. Crystallogr. 2008, 41, 653.
N. N. Greenwood, Chemistry of the Elements, Elsevier-Butterworth-Heinemann, Amsterdam, The Netherlands 2010.
CRC Handbook of Chemistry and Physics: A Ready-Reference Book of Chemical and Physical Data (Eds: W. M. Haynes, D. R. Lide), CRC Press; Taylor & Francis, Boca Raton, FL; London, UK 2011.
R. E. Bedford, G. Bonnier, H. Maas, F. Pavese, Metrologia 1996, 33, 133.
