Anderson Janotti
YOU?
Author Swipe
View article: Quantum geometric origins of the orbital degrees of freedom of hybrid bosonic quasiparticles in magnetic systems
Quantum geometric origins of the orbital degrees of freedom of hybrid bosonic quasiparticles in magnetic systems Open
The orbital degree of freedom has recently attracted significant attention due to the novel phenomena it enables in condensed matter systems. However, the interpretation of the orbital degree of freedom in bosonic quasiparticles remains co…
View article: Probing Magnetic Properties of RuO$_{2}$ Heterostructures Through the Ferromagnetic Layer
Probing Magnetic Properties of RuO$_{2}$ Heterostructures Through the Ferromagnetic Layer Open
RuO$_{2}$ has been proposed as the prototypical altermagnetic material. However, several reports have recently questioned its intrinsic magnetic ordering, leading to conflicting findings, especially in thin film heterostructures pointing t…
View article: Tunable magnon band topology and magnon orbital Nernst effect in noncollinear antiferromagnets
Tunable magnon band topology and magnon orbital Nernst effect in noncollinear antiferromagnets Open
We theoretically investigate the intrinsic magnon orbital Nernst effect (ONE) in noncollinear antiferromagnets with Kagomé spin systems. Our analysis reveals that an externally applied magnetic field induces topological phase transitions i…
View article: Structural inversion asymmetry in epitaxial ultrathin films of Bi(111)/InSb(111)B
Structural inversion asymmetry in epitaxial ultrathin films of Bi(111)/InSb(111)B Open
Bismuth (Bi) films hold potential for spintronic devices due to strong spin-orbit coupling. Understanding the growth, surface states, and interactions with the substrate is key to their functionalization. Large-area high-quality (111) Bi u…
View article: Reducing Dark Conductivity of Cesium Tin Halide Perovskites with Donor Doping
Reducing Dark Conductivity of Cesium Tin Halide Perovskites with Donor Doping Open
The inorganic tin halide perovskites (such as CsSnBr3 and CsSnI3) exhibit high hole concentrations, which have been attributed to the presence of intrinsic defects such as cation vacancies. Despite their promise as photovoltaic materials, …
View article: Weyl semimetal phases and intrinsic spin-Hall conductivity in SbAs ordered alloys
Weyl semimetal phases and intrinsic spin-Hall conductivity in SbAs ordered alloys Open
Here, using density functional theory calculations, we investigated possible Weyl semimetal (WSM) phases in antimony arsenide ordered alloys Sb1-xAsx (x=0, 1/6, 1/3, 1/2, 2/3, 5/6, 1). We find WSM phases for all As c…
View article: Weyl semimetal phases and intrinsic spin-Hall conductivity in SbAs ordered alloys
Weyl semimetal phases and intrinsic spin-Hall conductivity in SbAs ordered alloys Open
Using density functional theory calculations we investigated possible Weyl semimetal (WSM) phases in antimony arsenide ordered alloys Sb1-xAsx (x=0, 1/6, 1/3, 1/2, 2/3, 5/6, 1). We find WSM phases for all As compositions of Sb1-xAsx with b…
View article: Symmetry-breaking induced surface magnetization in non-magnetic RuO$_2$
Symmetry-breaking induced surface magnetization in non-magnetic RuO$_2$ Open
Altermagnetism is a newly identified phase of magnetism distinct from ferromagnetism and antiferromagnetism. RuO$_2$ has been considered a prototypical metallic altermagnet with a critical temperature higher than room temperature. Previous…
View article: Defect Stability in CdTe Based on Formation Energies and Migration Barriers
Defect Stability in CdTe Based on Formation Energies and Migration Barriers Open
Native point defects are thought to play a key role in CdTe, either as compensation centers in intentionally doped material, as a source of conductivity in nominally undoped material, or as electron–hole recombination centers. Here, the di…
View article: Elastic Coefficients of Polyether Ether Ketone from First-Principles Calculations
Elastic Coefficients of Polyether Ether Ketone from First-Principles Calculations Open
First-principles calculations based on the density functional theory (DFT) represent a sophisticated technique to investigate the mechanical strength of materials in general, although underexplored in polymeric structures such as high-perf…
View article: Band-gap reduction and band alignments of dilute bismide III--V alloys
Band-gap reduction and band alignments of dilute bismide III--V alloys Open
Adding a few atomic percent of Bi to III--V semiconductors leads to significant changes in their electronic structure and optical properties. Bismuth substitution on the pnictogen site leads to a large increase in spin-orbit splitting $Δ_{…
View article: Defects in semiconductors
Defects in semiconductors Open
View article: Electronic properties of corundum-like Ir2O3 and Ir2O3-Ga2O3 alloys
Electronic properties of corundum-like Ir2O3 and Ir2O3-Ga2O3 alloys Open
In the hexagonal, corundum-like structure, α-Ga2O3 has a bandgap of ∼ 5.1 eV, which, combined with its relatively small electron effective mass, high Baliga's figure of merit, and high breakdown field, makes it a promising candidate for po…
View article: Role of Cd interstitial in group-V doped CdTe
Role of Cd interstitial in group-V doped CdTe Open
Role of Cd interstitials in group-V doped CdTe
View article: Magnetic proximity coupling to defects in a two-dimensional semiconductor
Magnetic proximity coupling to defects in a two-dimensional semiconductor Open
The ultrathin structure and efficient spin dynamics of two-dimensional (2D) antiferromagnetic (AFM) materials hold unprecedented opportunities for ultrafast memory devices, artificial intelligence circuits, and novel computing technology. …
View article: Tuning Excitonic Properties of Monochalcogenides via Design of Janus Structures
Tuning Excitonic Properties of Monochalcogenides via Design of Janus Structures Open
Two-dimensional (2D) Janus structures offer a unique range of properties as a result of their symmetry breaking, resulting from the distinct chemical composition on each side of the monolayers. Here, we report a theoretical investigation o…
View article: Mott-Insulator State of FeSe as a Van der Waals 2D Material Is Unveiled
Mott-Insulator State of FeSe as a Van der Waals 2D Material Is Unveiled Open
We undertook a comprehensive investigation of the electronic structure of FeSe, known as a Hund metal, and found that it is not uniquely defined. Through accounting for all two-particle irreducible diagrams constructed from electron Green'…
View article: Large Rashba spin splittings in bulk and monolayer of BiAs
Large Rashba spin splittings in bulk and monolayer of BiAs Open
There is great interest in developing new materials with Rashba split bands near the Fermi level for spintronics. Here, using first-principles calculations, we predict BiAs as a semiconductor with large Rashba splitting in bulk and monolay…
View article: Hydrogen passivation of acceptor defects in delafossite CuMO2 (M = Al, Ga, In): Insights for enhanced p-type conductivity
Hydrogen passivation of acceptor defects in delafossite CuMO2 (M = Al, Ga, In): Insights for enhanced p-type conductivity Open
Transparent conducting oxides with p-type conductivity hold immense potential for various electronic applications. The role of native point defects in delafossite CuMO2 (M = Al, Ga, In) as the source of p-type conductivity has been widely …
View article: Role of chalcogen vacancies and hydrogen in the optical and electrical properties of bulk transition-metal dichalcogenides
Role of chalcogen vacancies and hydrogen in the optical and electrical properties of bulk transition-metal dichalcogenides Open
Like in any other semiconductor, point defects in transition-metal dichalcogenides (TMDs) are expected to strongly impact their electronic and optical properties. However, identifying defects in these layered two-dimensional materials has …
View article: Role of chalcogen vacancies and hydrogen in the optical and electrical properties of bulk transition-metal dichalcogenides
Role of chalcogen vacancies and hydrogen in the optical and electrical properties of bulk transition-metal dichalcogenides Open
Like in any other semiconductor, point defects in transition-metal dichalcogenides (TMDs) are expected to strongly impact their electronic and optical properties. However, identifying defects in these layered two-dimensional materials has …
View article: Dangling bonds, the charge neutrality level, and band alignment in semiconductors
Dangling bonds, the charge neutrality level, and band alignment in semiconductors Open
We present a systematic study of the electronic properties of dangling bonds (DBs) in a variety of semiconductors and examine the relationship between DBs and the charge neutrality level (CNL) in the context of band alignments of semicondu…
View article: The deep-acceptor nature of the chalcogen vacancies in 2D transition-metal dichalcogenides
The deep-acceptor nature of the chalcogen vacancies in 2D transition-metal dichalcogenides Open
Chalcogen vacancies in the semiconducting monolayer transition-metal dichalcogenides (TMDs) have frequently been invoked to explain a wide range of phenomena, including both unintentional p-type and n-type conductivity, as well as sub-band…
View article: Fermi-level pinning in ErAs nanoparticles embedded in III-V semiconductors
Fermi-level pinning in ErAs nanoparticles embedded in III-V semiconductors Open
Embedding rare-earth pnictide (RE-V) nanoparticles into III-V semiconductors enables unique optical, electrical, and thermal properties, with applications in THz photoconductive switches, tunnel junctions, and thermoelectric devices. Despi…
View article: A p-type dopable ultrawide-bandgap oxide
A p-type dopable ultrawide-bandgap oxide Open
A major shortcoming of ultrawide-bandgap (UWBG) semiconductors is unipolar doping, in which either n -type or p -type conductivity is typically possible, but not both within the same material. For UWBG oxides, the issue is usually the p -t…
View article: Tuning the band topology of GdSb by epitaxial strain
Tuning the band topology of GdSb by epitaxial strain Open
Rare-earth monopnictide (RE-V) semimetal crystals subjected to hydrostatic pressure have shown interesting trends in magnetoresistance, magnetic ordering, and superconductivity, with theory predicting pressure-induced band inversion. Yet, …
View article: Defects and doping of Sb-doped CdTe
Defects and doping of Sb-doped CdTe Open
Hall measurements in bulk single crystals, and in contrast to much larger values from previous calculations. We also find that the Sb-related AX centers are not major compensation centers in Sb-doped CdTe.
View article: Theory of formability and diffusivity of point defects and impurites in Cd(Se,Te)
Theory of formability and diffusivity of point defects and impurites in Cd(Se,Te) Open
favor migration paths within the basal plane of the wurtzite CdS lattice, which may facilitate defect clustering and ultimately the formation of Cu-rich interfacial phases as observed by energy dispersive x-ray spectroscopic elemental maps…
View article: Mott transition and abnormal instability of electronic structure in FeSe
Mott transition and abnormal instability of electronic structure in FeSe Open
FeSe has been extensively explored as a quantum material, primarily due to the observed highest superconducting transition temperature among Fe-based unconventional superconductors. Nonetheless, the electronic structure and the electron co…
View article: Large Rashba splittings in bulk and monolayer of BiAs
Large Rashba splittings in bulk and monolayer of BiAs Open
Two-dimensional materials with Rashba split bands near the Fermi level are key to developing upcoming next-generation spintronics. They enable generating, detecting, and manipulating spin currents without an external magnetic field. Here, …