arXiv subjects

Eoin P. O'Reilly

Publications and source records attributed to Eoin P. O'Reilly.

At least 19 recordsLinked to original sources

arXiv2023

Theory and optimisation of radiative recombination in broken-gap InAs/GaSb superlattices

We present a theoretical analysis of mid-infrared radiative recombination in InAs/GaSb superlattices (SLs). We employ a semi-analytical plane wave expansion method in conjunction with an 8-band $\mathbf{k} \cdot \mathbf{p}$ Hamiltonian to compute the SL electronic structure, paying careful attention to the identification and mitigation of spurious solutions. The calculated SL eigenstates are used directly to compute spontaneous emission spectra and the radiative recombination coefficient $B$. We elucidate the origin of the relatively large $B$ coefficients in InAs/GaSb SLs which, despite the presence of spatially indirect (type-II-like) carrier confinement, are close to that of bulk InAs and compare favourably to those calculated for mid-infrared type-I pseudomorphic and metamorphic quantum well structures having comparable emission wavelengths. Our analysis explicitly quantifies the roles played by carrier localisation (specifically, partial delocalisation of bound electron states) and miniband formation (specifically, miniband occupation and optical selection rules) in determining the magnitude of $B$ and its temperature dependence. We perform a high-throughput optimisation of the room temperature $B$ coefficient in InAs/GaSb SLs across the 3.5 -- 7 $μ$m wavelength range, quantifying the dependence of $B$ on the relative thickness of the electron-confining InAs and hole-confining GaSb layers. This analysis provides guidance for the growth of optimised SLs for mid-infrared light emitters. Our results, combined with the expected low non-radiative Auger recombination rates in structures having spatially indirect electron and hole confinement, corroborate recently observed high output power in prototype InAs/GaSb SL inter-band cascade light-emitting diodes.

cond-mat.mtrl-sci↗

arXiv2021

Raman spectroscopy of group-IV Ge$_{1-x}$Sn$_{x}$ alloys: theory and experiment

Ge$_{1-x}$Sn$_{x}$ alloys are a promising candidate material to realise direct-gap group-IV semiconductors for applications in Si-compatible electronic and photonic devices. Here, we present a combined theoretical and experimental analysis of Raman spectroscopy in Ge$_{1-x}$Sn$_{x}$ alloys. We describe liquid-vapour-solid growth and structural characterisation of Ge$_{1-x}$Sn$_{x}$ ($x \leq 8$%) nanowires displaying high crystalline quality, and investigate the structural and vibrational properties of the nanowires using Raman spectroscopy. Our theoretical analysis is based on a fully analytic anharmonic valence force field (VFF) potential, which describes exactly - i.e. without recourse to numerical fitting - the second-order elastic constants, third-order bulk modulus, selected second- and third-order inner elastic constants and, as a consequence, the zone-centre transverse optical phonon mode frequency and its hydrostatic and axial strain dependence. We compute bulk elastic properties via density functional theory to parametrise the VFF potential for Ge$_{1-x}$Sn$_{x}$ alloys, and apply the VFF potential to explicitly compute the Raman spectra of realistic, disordered Ge$_{1-x}$Sn$_{x}$ alloy supercells. Our atomistic theoretical calculations quantitatively capture: (i) the evolution of the measured Raman spectra with Sn composition $x$, (ii) demonstrate explicitly that the presence of short-range alloy disorder can significantly impact the shift coefficients $a$ and $b$ that respectively describe the dependence of the Raman shift on Sn composition and pseudomorphic strain, (iii) elucidate the origin of the so-called "disorder activated" mode identified in previous experimental investigations, and (iv) allow for detailed atomic-scale interpretation of measured Raman spectra. Overall, our analysis provides insight relevant to the characterisation of this emerging material system.

cond-mat.mtrl-sci↗

arXiv2021

Fully analytic valence force fields for the relaxation of group-IV semiconductor alloys: elastic properties of group-IV materials calculated from first principles

Si$_{y}$Ge$_{1-x-y}$(C,Sn,Pb)$_{x}$ alloys have attracted significant attention as a route to achieve a direct-gap group-IV semiconductor. Using density functional theory (DFT) - employing local density approximation and hybrid Heyd-Scuzeria-Ernzerhof exchange-correlation functionals - we compute the lattice parameters, relaxed and inner elastic constants, and internal strain (Kleinman) parameters for elemental (diamond) group-IV materials and zinc blende IV-IV compounds. Our DFT calculations support a little-known experimental re-evaluation of the $α$-Sn elastic constants, and contradict a recent prediction of dynamic instability in selected IV-IV compounds. DFT-calculated structural and elastic properties are used in conjunction with a recently derived analytical parametrisation of a harmonic valence force field (VFF) [Phys. Rev. B 100, 094112 (2019)] to obtain a complete set of VFF potentials for Si$_{y}$Ge$_{1-x-y}$(C,Sn,Pb)$_{x}$ and Si$_{x}$Ge$_{1-x}$ alloys. The analytical parametrisation exactly reproduces the relaxed elastic constants and Kleinman parameter without recourse to numerical fitting, allowing for accurate and computationally inexpensive lattice relaxation. The accuracy of the VFF potentials is demonstrated via comparison to the results of DFT supercell relaxation for (i) ordered Si (Ge) alloy supercells containing a substitutional C, Ge (Si), Sn or Pb impurity, where comparison is also made to a model analytical VFF, and (ii) disordered Si$_{x}$Ge$_{1-x}$ alloy supercells. The VFF potentials we present enable accurate and computationally inexpensive relaxation of large-scale supercells representing bulk-like group-IV alloys or group-IV heterostructures, providing input to first principles or empirical electronic structure calculations, and enabling structural analysis and calculation of strain fields in heterostructures for device applications.

cond-mat.mtrl-sci↗

arXiv2021

Impact of band-anticrossing on band-to-band tunneling in highly-mismatched semiconductor alloys

We theoretically analyse band-to-band tunneling (BTBT) in highly-mismatched, narrow-gap dilute nitride and bismide alloys, and quantify the impact of the N- or Bi-induced perturbation of the band structure -- due to band-anticrossing (BAC) with localised impurity states -- on the electric field-dependent BTBT generation rate. For this class of semiconductors the assumptions underpinning the widely-employed Kane model of direct BTBT break down, due to the strong band edge nonparabolicity resulting from BAC interactions. Via numerical calculations based on the Wentzel-Kramers-Brillouin approximation we demonstrate that BAC leads, at fixed band gap, to reduced (increased) BTBT current at low (high) applied electric fields compared to that in a conventional InAs$_{1-x}$Sb$_{x}$ alloy. Our analysis reveals that BTBT in InN$_{x}$As$_{1-x}$ and InAs$_{1-x}$Bi$_{x}$ is governed by a field-dependent competition between the impact of N (Bi) incorporation on (i) the dispersion of the complex band linking the valence and conduction bands, which dominates at low field strengths, and (ii) the conduction (valence) band edge density of states, which dominates at high field strengths. The implications of our results for applications in avalanche photodiodes and tunneling field-effect transistors are discussed.

cond-mat.mtrl-sci↗

arXiv2020

Magneto-optical determination of the carrier lifetime in coherent Ge(1-x)Sn(x)/Ge heterostructures

We present a magneto-optical study of the carrier dynamics in compressively strained Ge(1-x)Sn(x) films having Sn compositions up to 10% epitaxially grown on blanket Ge on Si (001) virtual substrates. We leverage the Hanle effect under steady-state excitation to study the spin-dependent optical transitions in presence of an external magnetic field. This allowed us to obtain direct access to the dynamics of the optically-induced carrier population. Our approach singled out that at cryogenic temperatures the effective lifetime of the photogenerated carriers in coherent Ge(1-x)Sn(x) occurs in the sub-ns time scale. Supported by a model estimate of the radiative lifetime, our measurements indicate that carrier recombination is dominated by non-radiative processes. Our results thus provide central information to advance the fundamental understanding of carrier kinetics in this novel direct-gap group-IV material system. Such knowledge can be a stepping stone in the quest for the implementation of Ge(1-x)Sn(x)-based functional devices.

physics.optics↗

arXiv2020

Electronic properties of type-II GaAs$_{1-x}$Sb$_{x}$/GaAs quantum rings for applications in intermediate-band solar cells

We present a theoretical analysis of the electronic properties of type-II GaAs$_{1-x}$Sb$_{x}$/GaAs quantum rings (QRs), from the perspective of applications in intermediate band solar cells (IBSCs). We outline the analytical solution of Schrödinger's equation for a cylindrical QR of infinite potential depth, and describe the evolution of the QR ground state with QR morphology. Having used this analytical model to elucidate general aspects of the electronic properties of QRs, we undertake multi-band $\textbf{k} \cdot \textbf{p}$ calculations -- including strain and piezoelectric effects -- for realistic GaAs$_{1-x}$Sb$_{x}$/GaAs QRs. Our $\textbf{k} \cdot \textbf{p}$ calculations confirm that the large type-II band offsets in GaAs$_{1-x}$Sb$_{x}$/GaAs QRs provide strong confinement of holes, and further indicate the presence of resonant (quasi-bound) electron states which localise in the centre of the QR. From the perspective of IBSC design the calculated electronic properties demonstrate several benefits, including (i) large hole ionisation energies, mitigating thermionic emission from the intermediate band, and (ii) electron-hole spatial overlaps exceeding those in conventional GaAs$_{1-x}$Sb$_{x}$/GaAs QDs, with the potential to engineer these overlaps via the QR morphology so as to manage the trade-off between optical absorption and radiative recombination. Overall, our analysis highlights the flexibility offered by the QR geometry from the perspective of band structure engineering, and identifies specific combinations of QR alloy composition and morphology which offer optimised sub-band gap energies for QR-based IBSCs.

cond-mat.mtrl-sci↗

arXiv2019

Electronic structure evolution in dilute carbide Ge$_{1-x}$C$_{x}$ alloys and implications for device applications

We present a theoretical analysis of electronic structure evolution in the highly-mismatched dilute carbide group-IV alloy Ge$_{1-x}$C$_{x}$. For ordered alloy supercells, we demonstrate that C incorporation strongly perturbs the conduction band (CB) structure by driving hybridisation of $A_{1}$-symmetric linear combinations of Ge states lying close in energy to the CB edge. This leads, in the ultra-dilute limit, to the alloy CB edge being formed primarily of an $A_{1}$-symmetric linear combination of the L-point CB edge states of the Ge host matrix semiconductor. Our calculations describe the emergence of a "quasi-direct" alloy band gap, which retains a significant admixture of indirect Ge L-point CB edge character. We then analyse the evolution of the electronic structure of realistic (large, disordered) Ge$_{1-x}$C$_{x}$ alloy supercells for C compositions up to $x = 2$%. We show that short-range alloy disorder introduces a distribution of localised states at energies below the Ge CB edge, with these states acquiring minimal direct ($Γ$) character. Our calculations demonstrate strong intrinsic inhomogeneous energy broadening of the CB edge Bloch character, driven by hybridisation between Ge host matrix and C-related localised states. The trends identified by our calculations are markedly different to those expected based on a recently proposed interpretation of the CB structure based on the band anti-crossing model. The implications of our findings for device applications are discussed.

cond-mat.mtrl-sci↗

arXiv2019

First principles analysis of electronic structure evolution and the indirect- to direct-gap transition in Ge$_{1-x}$Pb$_{x}$ group-IV alloys

We present a theoretical analysis of electronic structure evolution in the group-IV alloy Ge$_{1-x}$Pb$_{x}$ based on density functional theory. For ordered alloy supercells we demonstrate the emergence of a singlet conduction band (CB) edge state, suggesting the emergence of a direct band gap for Pb compositions as low as $x \approx 1$%. However, application of hydrostatic pressure reveals Pb-induced hybridisation, with the CB edge state in a Ge$_{63}$Pb$_{1}$ ($x = 1.56$%) supercell retaining primarily indirect (Ge L$_{6c}$) character. For an ordered Ge$_{15}$Pb$_{1}$ ($x = 6.25$%) supercell we find that the CB edge has acquired primarily direct (Ge $Γ_{7c}$) character, confirming the presence of an indirect- to direct-gap transition. The importance of alloy disorder is highlighted by investigating the impact on the electronic structure of the formation of a nearest-neighbour Pb-Pb pair. Having established the importance of short-range disorder, we analyse the electronic structure evolution as a function of $x$ using a series of 128-atom special quasi-random structures (SQSs). Our calculations reveal a strong reduction (increase) of the band gap (spin-orbit splitting energy), by $\approx 100$ meV ($\approx 40$ meV) per % Pb replacing Ge. We find an indirect- to direct-gap transition occurring in a narrow composition range centred about $x \approx 7$%, close to which composition we calculate that the alloy becomes semimetallic. Further analysis suggests that long-range order introduced by Born von Karman (supercell) boundary conditions leads to overestimated energy splitting of the Ge L$_{6c}$-derived CB states in the 128-atom SQSs. Accounting for these finite-size effects, we expect a direct band gap to emerge in Ge$_{1-x}$Pb$_{x}$ for $x \gtrsim 3 - 4$%.

cond-mat.mtrl-sci↗

arXiv2019

Fully analytic valence force field model for the elastic and inner elastic properties of diamond and zincblende crystals

Using a valence force field model based on that introduced by Martin, we present three related methods through which we analytically determine valence force field parameters. The methods introduced allow easy derivation of valence force field parameters in terms of the Kleinman parameter $ζ$ and bulk properties of zincblende and diamond crystals. We start with a model suited for covalent and weakly ionic materials, where the valence force field parameters are derived in terms of $ζ$ and the bulk elastic constants $C_{11}$, $C_{12}$, and $C_{44}$. We show that this model breaks down as the material becomes more ionic and specifically when the elastic anisotropy factor $A = 2C_{44}/(C_{11}-C_{12}) > 2$. The analytic model can be stabilised for ionic materials by including Martin's electrostatic terms with effective cation and anion charges in the valence force field model. Inclusion of effective charges determined via the optical phonon mode splitting provides a stable model for all but two of the materials considered (zincblende GaN and AlN). A stable model is obtained for all materials considered by also utilising the inner elastic constant $E_{11}$ to determine the magnitude of the effective charges used in the Coulomb interaction. Test calculations show that the models describe well structural relaxation in superlattices and alloys, and reproduce key phonon band structure features.

cond-mat.mtrl-sci↗

arXiv2019

Comparison of first principles and semi-empirical models of the structural and electronic properties of Ge$_{1-x}$Sn$_{x}$ alloys

We present and compare three distinct atomistic models -- based on first principles and semi-empirical approaches -- of the structural and electronic properties of Ge$_{1-x}$Sn$_{x}$ alloys. Density functional theory calculations incorporating Heyd-Scuseria-Ernzerhof (HSE) and modified Becke-Johnson (mBJ) exchange-correlation functionals are used to perform structural relaxation and electronic structure calculations for a series of Ge$_{1-x}$Sn$_{x}$ alloy supercells. Based on HSE calculations, a semi-empirical valence force field (VFF) potential and $sp^{3}s^{\ast}$ tight-binding (TB) Hamiltonian are parametrised. Comparing the HSE, mBJ and TB models, and using the HSE results as a benchmark, we demonstrate that: (i) mBJ calculations provide an accurate first principles description of the electronic structure at reduced computational cost, (ii) the VFF potential is sufficiently accurate to circumvent the requirement to perform first principles structural relaxation, and (iii) TB calculations provide a good quantitative description of the alloy electronic structure in the vicinity of the band edges. Our results also emphasise the importance of Sn-induced band mixing in determining the nature of the conduction band structure of Ge$_{1-x}$Sn$_{x}$ alloys. The theoretical models and benchmark calculations we present inform and enable predictive, computationally efficient and scalable atomistic calculations for disordered alloys and nanostructures. This provides a suitable platform to underpin further theoretical investigations of the properties of this emerging semiconductor alloy.

cond-mat.mtrl-sci↗

arXiv2018

Hybrid functional study of non-linear elasticity and internal strain in zincblende III-V materials

We investigate the elastic properties of selected zincblende III-V semiconductors. Using hybrid functional density functional theory we calculate the second and third order elastic constants, and first and second-order internal strain tensor components for Ga, In and Al containing III-V compounds. For many of these parameters, there are no available experimental measurements, and this work is the first to predict their values. The stricter convergence criteria for the calculation of higher order elastic constants are demonstrated, and arguments are made based on this for extracting these constants via the calculated stresses, rather than the energies, in the context of plane-wave-based calculations. The calculated elastic properties are used to determine the strain regime at which higher order elasticity becomes important by comparing the stresses predicted by a lower and a higher order elasticity theory. Finally, the results are compared with available experimental literature data and previous theory.

physics.comp-ph↗

arXiv2018

Optical properties of metamorphic type-I InAs$_{1-x}$Sb$_{x}$/Al$_{y}$In$_{1-y}$As quantum wells grown on GaAs for the mid-infrared spectral range

We analyse the optical properties of InAs$_{1-x}$Sb$_{x}$/Al$_{y}$In$_{1-y}$As quantum wells (QWs) grown by molecular beam epitaxy on relaxed Al$_{y}$In$_{1-y}$As metamorphic buffer layers (MBLs) using GaAs substrates. The use of Al$_{y}$In$_{1-y}$As MBLs allows for the growth of QWs having large type-I band offsets, and emission wavelengths $> 3$ $μ$m. Photoluminescence (PL) measurements for QWs having Sb compositions up to $x = 10$\% demonstrate strong room temperature emission up to 3.4 $μ$m, as well as enhancement of the PL intensity with increasing wavelength. To quantify the trends in the measured PL we calculate the QW spontaneous emission, using a theoretical model based on an 8-band $\vec{k} \cdot \vec{p}$ Hamiltonian. The theoretical calculations, which are in good agreement with experiment, identify that the observed enhancement in PL intensity with increasing wavelength is associated with the impact of compressive strain on the QW valence band structure. Our results highlight the potential of type-I InAs$_{1-x}$Sb$_{x}$/Al$_{y}$In$_{1-y}$As metamorphic QWs to address several limitations associated with existing heterostructures operating in the mid-infrared, establishing these novel heterostructures as a suitable platform for the development of mid-infrared light-emitting diodes.

cond-mat.mtrl-sci↗

arXiv2018

Impact of disorder on the optoelectronic properties of GaN$_y$As$_{1-x-y}$Bi$_x$ alloys and heterostructures

We perform a systematic theoretical analysis of the nature and importance of alloy disorder effects on the electronic and optical properties of GaN$_{y}$As$_{1-x-y}$Bi$_{x}$ alloys and quantum wells (QWs), using large-scale atomistic supercell electronic structure calculations based on the tight-binding method. Using ordered alloy supercell calculations we also derive and parametrise an extended basis 14-band \textbf{k}$\cdot$\textbf{p} Hamiltonian for GaN$_{y}$As$_{1-x-y}$Bi$_{x}$. Comparison of the results of these models highlights the role played by short-range alloy disorder -- associated with substitutional nitrogen (N) and bismuth (Bi) incorporation -- in determining the details of the electronic and optical properties. Systematic analysis of large alloy supercells reveals that the respective impact of N and Bi on the band structure remain largely independent, a robust conclusion we find to be valid even in the presence of significant alloy disorder where N and Bi atoms share common Ga nearest neighbours. Our calculations reveal that N- (Bi-) related alloy disorder strongly influences the conduction (valence) band edge states, leading in QWs to strong carrier localisation, as well as inhomogeneous broadening and modification of the conventional selection rules for optical transitions. Our analysis provides detailed insight into key properties and trends in this unusual material system, and enables quantitative evaluation of the potential of GaN$_{y}$As$_{1-x-y}$Bi$_{x}$ alloys for applications in photonic and photovoltaic devices.

cond-mat.mtrl-sci↗

arXiv2018

Theory and design of In$_{x}$Ga$_{1-x}$As$_{1-y}$Bi$_{y}$ mid-infrared semiconductor lasers: type-I quantum wells for emission beyond 3 $μ$m on InP substrates

We present a theoretical analysis and optimisation of the properties and performance of mid-infrared semiconductor lasers based on the dilute bismide alloy In$_{x}$Ga$_{1-x}$As$_{1-y}$Bi$_{y}$, grown on conventional (001) InP substrates. The ability to independently vary the epitaxial strain and emission wavelength in this quaternary alloy provides significant scope for band structure engineering. Our calculations demonstrate that structures based on compressively strained In$_{x}$Ga$_{1-x}$As$_{1-y}$Bi$_{y}$ quantum wells (QWs) can readily achieve emission wavelengths in the 3 -- 5 $μ$m range, and that these QWs have large type-I band offsets. As such, these structures have the potential to overcome a number of limitations commonly associated with this application-rich but technologically challenging wavelength range. By considering structures having (i) fixed QW thickness and variable strain, and (ii) fixed strain and variable QW thickness, we quantify key trends in the properties and performance as functions of the alloy composition, structural properties, and emission wavelength, and on this basis identify routes towards the realisation of optimised devices for practical applications. Our analysis suggests that simple laser structures -- incorporating In$_{x}$Ga$_{1-x}$As$_{1-y}$Bi$_{y}$ QWs and unstrained ternary In$_{0.53}$Ga$_{0.47}$As barriers -- which are compatible with established epitaxial growth, provide a route to realising InP-based mid-infrared diode lasers.

cond-mat.mtrl-sci↗

arXiv2016

Random alloy fluctuations and structural inhomogeneities in $c$-plane In$_{x}$Ga$_{1-x}$N quantum wells: theory of ground and excited electron and hole states

We present a detailed theoretical analysis of the electronic structure of $c$-plane InGaN/GaN quantum wells with indium contents varying between 10\% and 25\%. The electronic structure of the quantum wells is treated by means of an atomistic tight-binding model, accounting for variations in strain and built-in field due to random alloy fluctuations. Our analysis reveals strong localisation effects in the hole states. These effects are found not only in the ground states, but also the excited states. We conclude that localisation effects persist to of order 100~meV into the valence band, for as little as 10\% indium in the quantum well, giving rise to a significant density of localised states. We find, from an examination of the modulus overlap of the wave functions, that the hole states can be divided into three regimes of localisation. Our results also show that localisation effects due to random alloy fluctuations are far less pronounced for electron states. However, the combination of electrostatic built-in field, alloy fluctuations and structural inhomogeneities, such as well-width fluctuations, can nevertheless lead to significant localisation effects in the electron states, especially at higher indium contents. Overall, our results are indicative of individually localised electron and hole states, consistent with the experimentally proposed explanation of time-dependent photoluminescence results in $c$-plane InGaN/GaN QWs.

cond-mat.mtrl-sci↗

arXiv2015

Origin of non-linear piezoelectricity in III-V semiconductors: Internal strain and bond ionicity from hybrid-functional density functional theory

We derive first- and second-order piezoelectric coefficients for the zinc-blende III-V semiconductors, {Al,Ga,In}-{N,P,As,Sb}. The results are obtained within the Heyd-Scuseria-Ernzerhof hybrid-functional approach in the framework of density functional theory and the Berry-phase theory of electric polarization. To achieve a meaningful interpretation of the results, we build an intuitive phenomenological model based on the description of internal strain and the dynamics of the electronic charge centers. We discuss in detail first- and second-order internal strain effects, together with strain-induced changes in ionicity. This analysis reveals that the relatively large importance in the III-Vs of non-linear piezoelectric effects compared to the linear ones arises because of a delicate balance between the ionic polarization contribution due to internal strain relaxation effects, and the contribution due to the electronic charge redistribution induced by macroscopic and internal strain.

cond-mat.mtrl-sci↗

arXiv2015

Atomistic analysis of the impact of alloy and well-width fluctuations on the electronic and optical properties of InGaN/GaN quantum wells

We present an atomistic description of the electronic and optical properties of $\text{In}_{0.25}\text{Ga}_{0.75}$N/GaN quantum wells. Our analysis accounts for fluctuations of well width, local alloy composition, strain and built-in field fluctuations as well as Coulomb effects. We find a strong hole and much weaker electron wave function localization in InGaN random alloy quantum wells. The presented calculations show that while the electron states are mainly localized by well-width fluctuations, the holes states are already localized by random alloy fluctuations. These localization effects affect significantly the quantum well optical properties,leading to strong inhomogeneous broadening of the lowest interband transition energy. Our results are compared with experimental literature data.

cond-mat.mes-hall↗

arXiv2014

Investigation of the anisotropic electron g factor as a probe of the electronic structure of GaBi$_{x}$As$_{1-x}$/GaAs epilayers

The electron Landé g factor ($g^{*}$) is investigated both experimentally and theoretically in a series of GaBi$_{x}$As$_{1-x}$/GaAs strained epitaxial layers, for bismuth compositions up to $x = 3.8$%. We measure $g^{*}$ via time-resolved photoluminescence spectroscopy, which we use to analyze the spin quantum beats in the polarization of the photoluminescence in the presence of an externally applied magnetic field. The experimental measurements are compared directly to atomistic tight-binding calculations on large supercells, which allows us to explicitly account for alloy disorder effects. We demonstrate that the magnitude of $g^{*}$ increases strongly with increasing Bi composition $x$ and, based on the agreement between the theoretical calculations and experimental measurements, elucidate the underlying causes of the observed variation of $g^{*}$. By performing measurements in which the orientation of the applied magnetic field is changed, we further demonstrate that $g^{*}$ is strongly anisotropic. We quantify the observed variation of $g^{*}$ with $x$, and its anisotropy, in terms of a combination of epitaxial strain and Bi-induced hybridization of valence states due to alloy disorder, which strongly perturbs the electronic structure.

cond-mat.mtrl-sci↗