Comprehensive Inorganic Chemistry III. Volume 3: Theory and Bonding of Inorganic Nonmolecular Systems

Cover
Half Title
Comprehensive Inorganic Chemistry III. Volume 3: Theory and Bonding of Inorganic Nonmolecular Systems
Copyright
Contents of Volume 3
Editor Biographies
Volume Editors
Contributors to Volume 3
Preface
	Vol. 1: Synthesis, Structure, and Bonding in Inorganic Molecular Systems
	Vol. 2: Bioinorganic Chemistry and Homogeneous Biomimetic Inorganic Catalysis
	Vol. 3: Theory and Bonding of Inorganic Non-molecular Systems
	Vol. 4: Solid State Inorganic Chemistry
	Vol. 5: Inorganic Materials Chemistry
	Vol. 6: Heterogeneous Inorganic Catalysis
	Vol. 7: Inorganic Electrochemistry
	Vol. 8: Inorganic Photochemistry
	Vol. 9: NMR of Inorganic Nuclei
	Vol. 10: X-ray, Neutron and Electron Scattering Methods in Inorganic Chemistry
3.01. Introduction: Theory and bonding of inorganic non-molecular systems
	Abstract
	References
Section 1: Models for Extended Inorganic Structures
	3.02. Electronic structure of oxide and halide perovskites
		Content
		Abstract
		3.02.1 Introduction
		3.02.2 Perovskite structure and composition
			3.02.2.1 Cubic perovskite structure and variety in elemental composition
			3.02.2.2 Common perovskite distortions
		3.02.3 Computational methods for perovskite electronic structure
		3.02.4 Conceptualizing cubic perovskite band structures
			3.02.4.1 SrTiO3, a d0 oxide perovskite
			3.02.4.2 CsPbI3, a halide perovskite photovoltaic
		3.02.5 Effect of composition on band structure
			3.02.5.1 Effect of the X-site anion
			3.02.5.2 Effect of the B-site cation
			3.02.5.3 Effect of the A-site cation
		3.02.6 Effects of distortions on band structure
			3.02.6.1 Ferroelectric distortion
			3.02.6.2 Octahedral rotation
			3.02.6.3 Unifying messages
		3.02.7 Other strategies for tuning the band structure
			3.02.7.1 High pressure and epitaxial strain
			3.02.7.2 Superstructures with reduced dimensionality
		3.02.8 Concluding remarks
		Acknowledgment
		References
	3.03. Bonding in boron rich borides
		Content
		Abstract
		3.03.1 Introduction
		3.03.2 Classical bonding
			3.03.2.1 Borides with sp hybridized boron
			3.03.2.2 Borides with sp2 hybridized boron
			3.03.2.3 Borides with sp3 hybridized boron
			3.03.2.4 Miscellaneous systems
		3.03.3 Localized 3ce2e bonding
		3.03.4 Delocalized monopolyhedral bonding
			3.03.4.1 Borides with B6 units
			3.03.4.2 Borides with B12 units
			3.03.4.3 Hybrid networks with B12 and B6 units
			3.03.4.4 Borides with other Bn deltahedra
		3.03.5 Bonding in condensed polyhedra
		3.03.6 Bonding in single-vertex sharing macropolyhedra
		3.03.7 Perturbations in polyhedral bonding
			3.03.7.1 Borides with missing vertices
			3.03.7.2 Borides with capping vertices
		3.03.8 Bonding in non-deltahedral borides
		3.03.9 Bonding in elemental boron polymorphs
		3.03.10 Concluding remarks
		References
	3.04. The Zintl-Klemm concept and its broader extensions
		Content
		Abbreviations
		Abstract
		3.04.1 Introduction: Structure and bonding in Zintl phases
		3.04.2 The extended Zintl-Klemm concept
			3.04.2.1 Four connected networks
			3.04.2.2 Three-connected networks
			3.04.2.3 Two-connected networks
			3.04.2.4 Branched silicates
			3.04.2.5 Discrete oligosilicate anions. Single-connected groups
		3.04.3 The amphoteric silicon. Si as donor and as acceptor in Ce16 [Si[6]Si[4]14(O6N32)]
		3.04.4 The amphoteric germanium. The structure of (NH4)2Ge[6] [Ge[4]6O15]
			3.04.4.1 First approach
			3.04.4.2 Second approach: The donor Ge[6] atoms
		3.04.5 Closed packed arrays
			3.04.5.1 The EZKC applied to Mg2PN3, Zn2PN3, Li2SiO3 and Ca2PN3
			3.04.5.2 The structure of LiAlSe2
			3.04.5.3 The EZKC in close-packed solids
				3.04.5.3.1 Preferred skeletons in crystals
				3.04.5.3.2 The structures of NiAs and Ni2In
				3.04.5.3.3 The MnP and the Co2Si structures
				3.04.5.3.4 The paradigmatic structure of CsLiSO4
		3.04.6 Concluding remarks
		References
	3.05. An introduction to the theory of inorganic solid surfaces
		Content
		Abstract
		3.05.1 Basics of surface science
			3.05.1.1 Surface energy
				3.05.1.1.1 Amount of reversible work to create a surface
				3.05.1.1.2 Thermodynamic approach
				3.05.1.1.3 Surface energy anisotropy and Wulff construction
			3.05.1.2 Surface symmetries
			3.05.1.3 Beyond bulk-truncated surfaces
			3.05.1.4 Summary
		3.05.2 First principles modeling of surfaces
			3.05.2.1 Many-body Schrödinger equation
			3.05.2.2 Density Functional Theory
			3.05.2.3 Impact of the functional in surface computations
			3.05.2.4 Structural models for surfaces within DFT
				3.05.2.4.1 Convergence issues
				3.05.2.4.2 Supercell slab generation
			3.05.2.5 Surface stability from DFT and atomistic thermodynamics
				3.05.2.5.1 Surface energies of clean surfaces
				3.05.2.5.2 Temperature effects
				3.05.2.5.3 Surface energies modified by adsorption
			3.05.2.6 Summary
		3.05.3 Phenomenological models
			3.05.3.1 Early concepts
				3.05.3.1.1 The free electron model extended to the surface
				3.05.3.1.2 The broken bond model at metal surfaces
				3.05.3.1.3 Can the broken bond model apply at intermetallic compound surfaces?
				3.05.3.1.4 Pauling rules extended to the surfaces of ionic compounds
			3.05.3.2 The concept of dangling bonds
				3.05.3.2.1 Dangling bonds at elemental semiconductor surfaces
				3.05.3.2.2 Dangling bonds at intermetallic and oxide surfaces
			3.05.3.3 Electron counting rules
				3.05.3.3.1 Electron counting rules at sp semiconductor surfaces
				3.05.3.3.2 Electron counting rules involving d electrons
				3.05.3.3.3 Electron counting rules at oxide surfaces
			3.05.3.4 Summary
		3.05.4 Morphologies and electronic structures of inorganic compound surfaces
			3.05.4.1 Surface morphologies
				3.05.4.1.1 Elemental boron
				3.05.4.1.2 Al-based complex intermetallics
				3.05.4.1.3 Cage compounds
				3.05.4.1.4 Oxide surfaces
			3.05.4.2 Electronic states at the surface
		3.05.5 Conclusion
		3.05.6 Further reading
		Acknowledgments
		References
		Relevant websites
	3.06. Bond activation and formation on inorganic surfaces
		Content
		Abstract
		3.06.1 Introduction
		3.06.2 Bond activation on metal surfaces
			3.06.2.1 Dissociative activation of molecules
			3.06.2.2 Non-dissociative activation of molecules
		3.06.3 Bond formation on metal surfaces
		3.06.4 CeH bond activation on late transition metal oxide surfaces
			3.06.4.1 Overview of the CeH activation of methane on the IrO2 surface
			3.06.4.2 Orbital interaction between methane and the IrO2 surface
			3.06.4.3 Bond dissociation viewed as a bond formation
		3.06.5 NeH bond formation on early transition metal hydride surfaces
			3.06.5.1 Overview of ammonia synthesis
			3.06.5.2 Ammonia synthesis on ionic compound surfaces
			3.06.5.3 Electronic origin of catalytic activity of hydride catalysts for ammonia synthesis
		3.06.6 Conclusion
		References
Section 2: Tools for Electronic Structure Analysis
	3.07. Chemical bonding with plane waves
		Content
		Abstract
		3.07.1 Part I: Foundations
			3.07.1.1 Introduction
			3.07.1.2 Chemical bonding for the simplest molecule: H2
			3.07.1.3 Schrödinger’s and Fock’s equation, Kohn-Sham equations: DFT
			3.07.1.4 More complicated molecules, LCAO in general
			3.07.1.5 Plane Waves and Bloch’s theorem
			3.07.1.6 One-dimensional systems
			3.07.1.7 Concept of charges and bonding Indicators (COOP and COHP)
		3.07.2 Part II: Methods
			3.07.2.1 Basis functions
			3.07.2.2 Pseudopotentials in general
			3.07.2.3 Projector augmented wave method
			3.07.2.4 Plane-wave-based quantum chemistry programs
			3.07.2.5 Projection method
			3.07.2.6 Atomic basis sets in LOBSTER
			3.07.2.7 The projected DOS, COOP, COHP, fatband, and k-dependent COHP and time-reversal symmetry
			3.07.2.8 Mulliken and Löwdin population analysis
			3.07.2.9 Crystal orbital bond index
			3.07.2.10 Averaged bonding descriptors
				3.07.2.10.1 Covalent bonding indicators: Averaged COHP and effective interaction number
				3.07.2.10.2 Ionic bonding indicators: Ionicity and Madelung energy
		3.07.3 Part III: Applications
			3.07.3.1 Molecular systems
			3.07.3.2 Bonding between molecules (H and X bonding), bonding on surfaces
			3.07.3.3 Semiconductors such as GaAs and Phase-change materials
			3.07.3.4 Spin polarization and magnetic systems
			3.07.3.5 Rechargeable battery electrode materials
			3.07.3.6 Thermoelectrics and Zintl phases
			3.07.3.7 Materials mapping
			3.07.3.8 Interplay of bonding and structure
		3.07.4 Computational details
		Acknowledgments
		References
	3.08. Chemical bonding analyses using wannier functions
		Content
		Abstract
		3.08.1 Introduction
		3.08.2 Basic examples
			3.08.2.1 MLWFs constructed from a single isolated band (Cl 3s band of NaCl)
			3.08.2.2 MLWFs constructed from multiple isolated bands (Cl 3p bands of NaCl)
			3.08.2.3 MLWFs constructed from entangled bands (Na 3s band of NaCl)
		3.08.3 Chemical bonding analyses
			3.08.3.1 Inter- and intra-cluster bonds in a-rhombohedral boron
			3.08.3.2 T–T bonds in transition metal (T)–main group intermetallic compounds
		3.08.4 Conclusion
		References
	3.09. Chemical bonding analysis in position space
		Content
		Abstract
		3.09.1 Introduction
		3.09.2 Electron density for bonding analysis in position space
		3.09.3 Volume chemistry
		3.09.4 Electron-localizability approach
		3.09.5 Electron localizability indicator-electron density basin intersection
		3.09.6 Extended 8 N rule in position-space representation
		3.09.7 Localization and delocalization indices for bonding analysis in position space
		3.09.8 Energy of atoms and between atoms within the position-space approach: IQA method
		3.09.9 Conclusions
		References
	3.10. The structures of inorganic crystals: A rational explanation from the chemical pressure approach and the anions in metallic matrices model
		Content
		Abbreviations
		Abstract
		3.10.1 Introduction: Chemical bonding in inorganic solids
		3.10.2 The chemical pressure formalism
			3.10.2.1 Contextualization of the chemical pressure approach: The quantum pressure formalism
			3.10.2.2 The chemical pressure-DFT formalism: Basic ideas
			3.10.2.3 DFT-chemical pressure methodology
				3.10.2.3.1 Pressure field calculation
				3.10.2.3.2 Mapped and non-mapped contributions
				3.10.2.3.3 Unwarping procedure
			3.10.2.4 Chemical pressure-DFT formalism: Revealing chemical interactions in molecules and solids
		3.10.3 Structures of inorganic crystals: Chemical principles
			3.10.3.1 Assessment of the anion positions in metallic structures in the light of the chemical pressure formalism
				3.10.3.1.1 Alkaline lattices
				3.10.3.1.2 Alkaline-earth structures
				3.10.3.1.3 Al lattices
				3.10.3.1.4 BaSn alloy
			3.10.3.2 Linking pressure and electronegativity
				3.10.3.2.1 Generalized stress-redox equivalence
				3.10.3.2.2 Guest-host electronegativity equalization
		3.10.4 Summary and prospects
		References
Section 3: Predictive Exploration of New Structures
	3.11. Energy landscapes in inorganic chemistry
		Content
		Abstract
		3.11.1 Introduction
		3.11.2 General cost function landscape concepts
			3.11.2.1 Basic features of cost function landscapes
				3.11.2.1.1 Definition of cost function landscapes
				3.11.2.1.2 Fundamental (static) elements of cost function landscapes
			3.11.2.2 Representation of landscapes
				3.11.2.2.1 Projections on subsets of configuration space
				3.11.2.2.2 Graph representations
				3.11.2.2.3 Order parameters
		3.11.3 Energy landscapes of isolated chemical systems
			3.11.3.1 Finite system
				3.11.3.1.1 Continuous state space
				3.11.3.1.2 Discrete state space
			3.11.3.2 Infinite system
				3.11.3.2.1 Periodic approximants
				3.11.3.2.2 Non-periodic approximants
			3.11.3.3 Dimensionality of chemical systems
				3.11.3.3.1 Existence and embedding of 2D and 1D systems
				3.11.3.3.2 Quasi-1D and quasi-2D systems
				3.11.3.3.3 Clusters and molecules on surfaces
				3.11.3.3.4 Choice of energy function and state space
				3.11.3.3.5 Choice of moveclass
			3.11.3.4 Energy functions
				3.11.3.4.1 Empirical potentials
				3.11.3.4.2 Beyond empirical potentials
				3.11.3.4.3 Energy functions with building units and molecules
				3.11.3.4.4 Special cost function landscapes, involving non-energy terms in the cost function
		3.11.4 Time and energy landscapes
			3.11.4.1 Introduction of observation time
				3.11.4.1.1 Measurements in experiment and simulations; the concept of ergodicity
				3.11.4.1.2 Locally ergodic regions for an isolated chemical system
				3.11.4.1.3 Locally ergodic regions in general statistical ensembles
			3.11.4.2 Time evolution and master equation dynamics
				3.11.4.2.1 Master equation dynamics
				3.11.4.2.2 Equilibration trees
			3.11.4.3 Time dependence of cost function/energy landscapes
				3.11.4.3.1 Variation of state space and moveclass
				3.11.4.3.2 Variation of the cost function
				3.11.4.3.3 Fast vs. slow variation
				3.11.4.3.4 Periodic variation
				3.11.4.3.5 Noisy cost function landscapes
			3.11.4.4 Robustness of cost function landscapes
		3.11.5 Energy landscapes in interaction with the environment
			3.11.5.1 General aspects
			3.11.5.2 Temperature
				3.11.5.2.1 General aspects
				3.11.5.2.2 High vs. low temperature
				3.11.5.2.3 System with a thermal gradient
			3.11.5.3 Mechanical forces
				3.11.5.3.1 Pressure
				3.11.5.3.2 General stress tensor
			3.11.5.4 Electromagnetic forces
				3.11.5.4.1 Special aspects associated with the electric field
				3.11.5.4.2 Special aspects of the magnetic field
				3.11.5.4.3 Electromagnetic radiation
			3.11.5.5 Changes in composition
				3.11.5.5.1 Variation of composition within an isolated chemical system
				3.11.5.5.2 Insertion/removal of atoms from the system in non-equilibrium situations
				3.11.5.5.3 Particle radiation and/or radioactive decay as source of particles
			3.11.5.6 Enforced currents
		3.11.6 General methods to explore and classify cost function and energy landscapes
			3.11.6.1 Global optimization techniques
				3.11.6.1.1 Exhaustive methods
				3.11.6.1.2 Multiple local minimization methods
				3.11.6.1.3 Stochastic (Monte Carlo) and molecular dynamics based methods
				3.11.6.1.4 Genetic and evolutionary algorithms
				3.11.6.1.5 Jump methods, taboo methods, accelerated dynamics
					3.11.6.1.5.1 Jump methods and accelerated dynamics
					3.11.6.1.5.2 Taboo searches
				3.11.6.1.6 Lid methods
				3.11.6.1.7 Rapidly exploring random tree (RRT) based methods
			3.11.6.2 Saddle point techniques
			3.11.6.3 Pockets of the landscape and characteristic regions
			3.11.6.4 Transition path analysis
			3.11.6.5 Probability flows
			3.11.6.6 Locally ergodic regions
			3.11.6.7 Free energies and densities of states
				3.11.6.7.1 Densities of states
				3.11.6.7.2 Free energy calculations
			3.11.6.8 Calculation of mesoscopic properties
		3.11.7 Applications
			3.11.7.1 Structure prediction
				3.11.7.1.1 3D solids
				3.11.7.1.2 Low-dimensional solids
				3.11.7.1.3 Atoms, molecules and clusters on surfaces and substrates
					3.11.7.1.3.1 Reorganization of surfaces
					3.11.7.1.3.2 Particles on closed surfaces
					3.11.7.1.3.3 Clusters on surfaces
					3.11.7.1.3.4 Thin films on surfaces
				3.11.7.1.4 Clusters and large molecules
				3.11.7.1.5 Phase diagram prediction
				3.11.7.1.6 Time crystals
			3.11.7.2 Structure determination
				3.11.7.2.1 General inverse problem
				3.11.7.2.2 Reduced search space
				3.11.7.2.3 Cost function as combination of potential energy and experimental data
			3.11.7.3 Barrier studies
				3.11.7.3.1 Nudged elastic band methods
				3.11.7.3.2 Prescribed path method
				3.11.7.3.3 RRT based explorations
				3.11.7.3.4 Metadynamics and metashooting
				3.11.7.3.5 Phase transition via free energy landscape investigation
			3.11.7.4 Probability flows
			3.11.7.5 Graph representations of energy landscapes
				3.11.7.5.1 Tree/disconnectivity graphs
				3.11.7.5.2 Free energy landscape
				3.11.7.5.3 Equilibration trees
			3.11.7.6 Liquids and glasses
				3.11.7.6.1 Structural liquids and glasses
				3.11.7.6.2 Aging phenomena
				3.11.7.6.3 Spin glasses
			3.11.7.7 Optimal control
				3.11.7.7.1 Master equation dynamics
				3.11.7.7.2 Finite-time thermodynamics for chemical processes
					3.11.7.7.2.1 Computational alchemy
					3.11.7.7.2.2 Output maximization using mesoscopic models
			3.11.7.8 Synthesis routes and materials design
				3.11.7.8.1 Materials design
					3.11.7.8.1.1 Zeolites
					3.11.7.8.1.2 Artificial drugs
					3.11.7.8.1.3 Property driven design
				3.11.7.8.2 Synthesis routes
			3.11.7.9 Optimal parameters for chemical modeling
				3.11.7.9.1 Neural networks
				3.11.7.9.2 Empirical potentials
		3.11.8 Outlook
		Acknowledgments
		References
	3.12. First principles crystal structure prediction
		Content
		Abstract
		3.12.1 Introduction
		3.12.2 Crystalline configuration space
		3.12.3 First principles calculations in solids
		3.12.4 Modern approaches
			3.12.4.1 Random structure searching
			3.12.4.2 Particle swarm optimization
			3.12.4.3 Genetic and evolutionary algorithms
			3.12.4.4 Database informed methods
			3.12.4.5 Local approaches
				3.12.4.5.1 Metadynamics
				3.12.4.5.2 Minima hopping
				3.12.4.5.3 Basin hopping
				3.12.4.5.4 Following soft modes
		3.12.5 Fitness functions
			3.12.5.1 Compositional stability
			3.12.5.2 Structural and mechanical properties
			3.12.5.3 Electronic properties
		3.12.6 Accelerating the search process
			3.12.6.1 Hard sphere potentials and volumes
			3.12.6.2 Modular decomposition
			3.12.6.3 Orbital free DFT
			3.12.6.4 Machine learned potentials
		3.12.7 Visualizing the PES
		3.12.8 Examples
			3.12.8.1 Compositional complexity
			3.12.8.2 High pressure
				3.12.8.2.1 Elements
				3.12.8.2.2 Hydrogen bonding
				3.12.8.2.3 Polyhydride superconductors
			3.12.8.3 Target properties
		3.12.9 Challenges and conclusions
		Acknowledgments
		References
	3.13. Crystal chemistry at high pressure
		Content
		Abstract
		3.13.1 Introduction
		3.13.2 The atom under pressure
		3.13.3 The crystal under pressure
			3.13.3.1 Electronic structure
			3.13.3.2 High pressure electrides
			3.13.3.3 Compounds of noble gases
			3.13.3.4 Miscibility under pressure
			3.13.3.5 Geometries and bonding
		3.13.4 Superconductivity
			3.13.4.1 The elements
			3.13.4.2 Hydrogen
			3.13.4.3 Clathrate-like hydrides
			3.13.4.4 Covalent hydrides
		3.13.5 Conclusion
		Acknowledgments
		References
Section 4: Properties and Phenomena
	3.14. In silico modeling of inorganic thermoelectric materials
		Content
		Abstract
		3.14.1 Introduction
		3.14.2 Figure of merit, ZT
		3.14.3 Thermal transport properties
			3.14.3.1 Semi-empirical methods
			3.14.3.2 Quasi-harmonic Debye model
			3.14.3.3 Quasi-harmonic approximation
			3.14.3.4 The Boltzmann transport equation
			3.14.3.5 Molecular dynamics
				3.14.3.5.1 Nonequilibrium molecular dynamics
				3.14.3.5.2 Green-Kubo approach
				3.14.3.5.3 Approach-to-equilibrium molecular dynamics
		3.14.4 Electron transport properties
		3.14.5 Other parameters
			3.14.5.1 Quality factor
			3.14.5.2 Defects concentration
		3.14.6 Data science and TE materials
			3.14.6.1 Databases
			3.14.6.2 Accelerating the calculation of lattice thermal conductivity with machine leaming
			3.14.6.3 Accelerating the calculation electron transport coefficients with machine leaming
		3.14.7 Conclusion and perspectives
		Acknowledgment
		References
	3.15. Correlated electronic states in quasicrystals
		Content
		Abstract
		3.15.1 Introduction
			3.15.1.1 Correlated electronic states
			3.15.1.2 Quasicrystal
			3.15.1.3 Quasiperiodic structure
				3.15.1.3.1 Fibonacci lattice
				3.15.1.3.2 Penrose tiling
				3.15.1.3.3 Other tilings
			3.15.1.4 Strong electron correlation effects in quasicrystal
			3.15.1.5 Overview
		3.15.2 Theoretical framework
			3.15.2.1 Framework of DMFT
			3.15.2.2 Numerical solvers for effective impurity problem
			3.15.2.3 Real-space DMFT
		3.15.3 Mott transition
			3.15.3.1 Mott transition in periodic systems
			3.15.3.2 Mott transition on Penrose tiling
				3.15.3.2.1 Site-dependent quantities
				3.15.3.2.2 Phase diagram
			3.15.3.3 Short summary
		3.15.4 Valence fluctuation
			3.15.4.1 Extended Anderson lattice model
				3.15.4.4.1 Valence distribution
				3.15.4.4.2 Diffraction pattern
			3.15.4.2 Anderson lattice model in periodic systems
			3.15.4.3 Noninteracting case on the Penrose tiling
			3.15.4.4 RDMFT results for EALM on Penrose tiling
			3.15.4.5 Short summary
		3.15.5 Superconductivity
			3.15.5.1 Attractive Hubbard model
			3.15.5.2 RDMFT for superconducting state
			3.15.5.3 Emergence of superconductivity at low temperature
			3.15.5.4 Spatial inhomogeneity in the superconducting state
			3.15.5.5 Unconventional Cooper pairing
			3.15.5.6 Crossover of superconducting states
			3.15.5.7 Superconducting properties
				3.15.5.7.1 Superconducting order parameter and gap
				3.15.5.7.2 Local density of states
				3.15.5.7.3 Specific heat
				3.15.5.7.4 I–V characteristics
			3.15.5.8 Short summary
		3.15.6 Summary
		Acknowledgments
		References
	3.16. Chemical bonding principles in magnetic topological quantum materials
		Content
		Abstract
		3.16.1 Introduction
		3.16.2 Design novel intrinsic magnetic topological materials from chemistry perspectives
			3.16.2.1 Derived from semiconductors and semimetals
			3.16.2.2 Combined with spin-orbit coupling (SOC) effects
			3.16.2.3 Fixed by symmetry and crystal structures
			3.16.2.4 Incorporated into magnetic elements
			3.16.2.5 Tuned by chemical substitutions
		3.16.3 Utilizing neutron scattering to understand magnetic topological materials
			3.16.3.1 Neutron diffraction, the role of magnetic symmetry
			3.16.3.2 Inelastic neutron scattering
		3.16.4 Manipulating the magnetic and electronic states with pressure
			3.16.4.1 Expanding the magnetic behavior
			3.16.4.2 Tuning the fermi level
		3.16.5 Conclusion
		Acknowledgement
		References