Lista de obras -

Breaking the paradigm: record quindecim charged magnetic ionic liquids

article published in 2017

Cation-Poor Complex Metallic Alloys in Ba(Eu)-Au-Al(Ga) Systems: Identifying the Keys that Control Structural Arrangements and Atom Distributions at the Atomic Level

artículo científico publicado en 2015

Change of magnetic and electronic features through subtle substitution in cubic, non-centrosymmetric extended rare-earth metal cluster complexes {TR3}X3

Crystal structure and bonding in BaAu5Ga2 and AeAu4+xGa3-x (Ae = Ba and Eu): hexagonal diamond-type Au frameworks and remarkable cation/anion partitioning in the Ae-Au-Ga systems

scientific article published on 10 December 2014

Development of a robust tool to extract Mulliken and Löwdin charges from plane waves and its application to solid-state materials

scholarly article in RSC Advances, vol. 9 no. 51, 2019

Discovering Electron-Transfer-Driven Changes in Chemical Bonding in Lead Chalcogenides (PbX, where X = Te, Se, S, O)

scientific article published on 02 November 2020

Electron counting rules and electronic structure in tetrameric transition-metal (T)-centered rare-Earth (R) cluster complex halides (X)

artículo científico publicado en 2014

Fermi-Level Characteristics of Potential Chalcogenide Superconductors

From the Ternary Eu(Au/In)2 and EuAu4(Au/In)2 with Remarkable Au/In Distributions to a New Structure Type: The Gold-Rich Eu5Au16(Au/In)6 Structure

artículo científico publicado en 2015

Gold in the Layered Structures of R3Au7Sn3: From Relativity to Versatility

Gold-rich R3Au7Sn3: establishing the interdependence between electronic features and physical properties

High-Pressure NiAs-Type Modification of FeN.

artículo científico publicado en 2017

Identifying a structural preference in reduced rare-earth metal halides by combining experimental and computational techniques

artículo científico publicado en 2012

Identifying the Origins of Vacancies in the Crystal Structures of Rock Salt-type Chalcogenide Superconductors

artículo científico publicado en 2019

Layered Structures and Disordered Polyanionic Nets in the Cation-Poor Polar Intermetallics CsAu1.4Ga2.8 and CsAu2Ga2.6

Magnetocaloric Behavior in Ternary Europium Indides EuT5In: Probing the Design Capability of First-Principles-Based Methods on the Multifaceted Magnetic Materials

artículo científico publicado en 2017

Oligomeric rare-earth metal cluster complexes with endohedral transition metal atoms

Probing the Validity of the Zintl-Klemm Concept for Alkaline-Metal Copper Tellurides by Means of Quantum-Chemical Techniques

artículo científico publicado en 2020

Revealing Tendencies in the Electronic Structures of Polar Intermetallic Compounds

Revealing the Bonding Nature in an ALnZnTe3-Type Alkaline-Metal (A) Lanthanide (Ln) Zinc Telluride by Means of Experimental and Quantum-Chemical Techniques

Revealing the Nature of Bonding in Rare-Earth Transition-Metal Tellurides by Means of Methods Based on First Principles

Revealing the Nature of Chemical Bonding in an ALn2Ag3Te5-Type Alkaline-Metal (A) Lanthanide (Ln) Silver Telluride

Revisiting the Si-Te System: SiTe2 Finally Found by Means of Experimental and Quantum-Chemical Techniques

artículo científico publicado en 2017

Search for the Mysterious SiTe—An Examination of the Binary Si–Te System Using First-Principles-Based Methods

article by Simon Steinberg et al published 17 October 2016 in Crystal Growth & Design

The Crystal Orbital Hamilton Population (COHP) Method as a Tool to Visualize and Analyze Chemical Bonding in Intermetallic Compounds

The Mineral Stützite: a Zintl-Phase or Polar Intermetallic? A Case Study Using Experimental and Quantum-Chemical Techniques

artículo científico publicado en 2017

The Prolific {ZR6}X12Rand {ZR6}X10Structure Types with Isolated Endohedrally Stabilized (Z) Rare-Earth Metal (R) Cluster Halide (X) Complexes

Unexpected Ge-Ge Contacts in the Two-Dimensional Ge4 Se3 Te Phase and Analysis of Their Chemical Cause with the Density of Energy (DOE) Function

artículo científico publicado en 2017

Lista de obras de

Breaking the paradigm: record quindecim charged magnetic ionic liquids

Cation-Poor Complex Metallic Alloys in Ba(Eu)-Au-Al(Ga) Systems: Identifying the Keys that Control Structural Arrangements and Atom Distributions at the Atomic Level

Change of magnetic and electronic features through subtle substitution in cubic, non-centrosymmetric extended rare-earth metal cluster complexes {TR3}X3

Crystal structure and bonding in BaAu5Ga2 and AeAu4+xGa3-x (Ae = Ba and Eu): hexagonal diamond-type Au frameworks and remarkable cation/anion partitioning in the Ae-Au-Ga systems

Development of a robust tool to extract Mulliken and Löwdin charges from plane waves and its application to solid-state materials

Discovering Electron-Transfer-Driven Changes in Chemical Bonding in Lead Chalcogenides (PbX, where X = Te, Se, S, O)

Electron counting rules and electronic structure in tetrameric transition-metal (T)-centered rare-Earth (R) cluster complex halides (X)

Fermi-Level Characteristics of Potential Chalcogenide Superconductors

From the Ternary Eu(Au/In)2 and EuAu4(Au/In)2 with Remarkable Au/In Distributions to a New Structure Type: The Gold-Rich Eu5Au16(Au/In)6 Structure

Gold in the Layered Structures of R3Au7Sn3: From Relativity to Versatility

Gold-rich R3Au7Sn3: establishing the interdependence between electronic features and physical properties

High-Pressure NiAs-Type Modification of FeN.

Identifying a structural preference in reduced rare-earth metal halides by combining experimental and computational techniques

Identifying the Origins of Vacancies in the Crystal Structures of Rock Salt-type Chalcogenide Superconductors

Layered Structures and Disordered Polyanionic Nets in the Cation-Poor Polar Intermetallics CsAu1.4Ga2.8 and CsAu2Ga2.6

Magnetocaloric Behavior in Ternary Europium Indides EuT5In: Probing the Design Capability of First-Principles-Based Methods on the Multifaceted Magnetic Materials

Oligomeric rare-earth metal cluster complexes with endohedral transition metal atoms

Probing the Validity of the Zintl-Klemm Concept for Alkaline-Metal Copper Tellurides by Means of Quantum-Chemical Techniques

Revealing Tendencies in the Electronic Structures of Polar Intermetallic Compounds

Revealing the Bonding Nature in an ALnZnTe3-Type Alkaline-Metal (A) Lanthanide (Ln) Zinc Telluride by Means of Experimental and Quantum-Chemical Techniques

Revealing the Nature of Bonding in Rare-Earth Transition-Metal Tellurides by Means of Methods Based on First Principles

Revealing the Nature of Chemical Bonding in an ALn2Ag3Te5-Type Alkaline-Metal (A) Lanthanide (Ln) Silver Telluride

Revisiting the Si-Te System: SiTe2 Finally Found by Means of Experimental and Quantum-Chemical Techniques

Search for the Mysterious SiTe—An Examination of the Binary Si–Te System Using First-Principles-Based Methods

The Crystal Orbital Hamilton Population (COHP) Method as a Tool to Visualize and Analyze Chemical Bonding in Intermetallic Compounds

The Mineral Stützite: a Zintl-Phase or Polar Intermetallic? A Case Study Using Experimental and Quantum-Chemical Techniques

The Prolific {ZR6}X12Rand {ZR6}X10Structure Types with Isolated Endohedrally Stabilized (Z) Rare-Earth Metal (R) Cluster Halide (X) Complexes

Unexpected Ge-Ge Contacts in the Two-Dimensional Ge4 Se3 Te Phase and Analysis of Their Chemical Cause with the Density of Energy (DOE) Function