We study the effects of a transverse magnetic field and bias voltage on the electronic properties of buckled tetragonal Germanene in the context of Hubbard model with ferromagnetic ordering. In particular, the behavior of density of states and temperature dependence of specific heat, thermoelectric properties and magnetic susceptibility have been investigated. Mean field approximation has been employed in order to obtain the effects of local coulomb interaction on the band structure of the system. Our results show the band gap in the density of states decreases with increase of bias voltage. Also the low temperature dependence of specific heat of tetragonal Germanene is found to be exponentially increasing behavior with temperature for all magnetic field and local coulomb interaction strength values. Seebeck coefficient shows an increasing behavior in terms of temperature with positive sign for all values of interaction strength. However Seebeck coefficient gets both positive and negative signs due to variation of transverse magnetic field strength in the absence of coulomb interaction and bias voltage.

Extensive research is underway to improve the thermoelectric properties of materials by enhancing the figure of merit (ZT). In this study, we are investigating the thermoelectric properties of MoS2/MoTe2 and MoS2/MoSe2 lateral heterostructures (LH-S) under the influence of external magnetic fields (EMF) and transverse electric fields (TEF). We employ the non-equilibrium Green's function (N-EGF) and tight-binding (TB) methods for our analysis. The results obtained indicate that the ZT for MoS2-MoTe2 and MoS2-MoSe2 LH-S enhanced with an increase in the TEF. The ZT of MoS2-MoSe2 LH-S increases near room temperature, while the ZT of MoS2-MoTe2 LH-S increases with an increase in EMF across the entire temperature range. Additionally, the ZT for MoS2-MoSe2 LH-S increases with an increase in the nanoribbon width, whereas for MoS2-MoTe2 LH-S, it decreases. The results reveal that the semiconductor type of MoS2-MoSe2 and MoS2-MoTe2 LH-S changes from n-type to p-type when subjected to EMF and transverse TEF. The examination of the temperature dependence of ZT in the presence of TEF and EMF for MoS2-MoTe2 and MoS2-MoSe2 LH-S indicates that these structures are highly promising candidates for use in electrical devices.

We compute the thermodynamic properties and density of states of disordered kagome lattice doped with impurity atoms in the context of tight binding model Hamiltonian due to spin–orbit coupling. The effect of scattering by dilute charged impurities is discussed in terms of the self-consistent Born approximation. Green’s function approach has been implemented to find the behavior of density of states and thermodynamic properties of kagome lattice. Specially, temperature dependence of Pauli paramagnetic spin susceptibility and specific heat of kagome structure in the presence of impurity atoms has been analyzed. Also the effects of impurity concentration and scattering potential strength on behaviors of specific heat and paramagnetic susceptibility of kagome structure have been studied. Our numerical results show that specific heat reaches the Schottky anomaly peak. The height of this peak decreases with impurity concentration and scattering potential strength. The temperature dependence of paramagnetic susceptibility indicates a decreasing behavior at low temperatures. Additionally, throughout our study, we observed variations in the density of states curves, indicating the influenes of both impurity atoms and spin–orbit coupling.

This study delves into the multifaceted exploration of physical properties in 2D materials, focusing on the Kagome lattice structure. Utilizing tight-binding and Green function techniques, this study investigates the electrical and thermal properties of the Kagome lattice under conditions, such as external magnetic fields, strain, and spin-orbit coupling (SOC). Numerical simulations elucidate the effects of these parameters on transport phenomena, revealing into thermoelectric performance. Key findings include the influence of external magnetic the density of states (DOS), resulting in metallic properties and enhanced electrical conductivity. Moreover, strain effects are shown to impact band structure, with compressive strain widening the band gap and reducing thermal and electrical conductivities, while tensile strain enhances metallic properties. Furthermore, the study explores the role of SOC in inducing band affecting carrier transport, with significant implications for thermoelectric applications. systematic analysis, the study unveils the intricate interplay between various parameters resulting impact on thermoelectric properties, including the Seebeck coefficient, power figure of merit (ZT), and Lorentz number. Overall, the findings in this research underscores importance of considering diverse external factors in tailoring the thermoelectric performance 2D materials, especially Kagome lattice structure, thereby advancing their potential for applications in energy conversion and beyond.

Our research examines the electronic thermal conductivity, electrical conductivity, Seebeck coefficient, and figure of merit of the alpha-T3 3 structure utilizing the Green's function approach within the Hamiltonian framework of the Kane-Mele (KM) and Hubbard models. We evaluate how variations in chemical potential, on-site Coulomb repulsion (OSCR) strength, and spin-orbit coupling (SOC) parameters influence these properties. Our findings uncover interesting trends: the presence of a flat band at the energy level of zero within this structure and the gap between the flat band and other bands is observed. The observable rise in SOC results in a clear division within the energy band, demonstrating the notable impact SOC exerts on the electronic structure of the system.Moreover, this strategy displays that this material's thermoelectric properties increase due to temperature, SOC, and OSCR. Also, it was observed that augmenting the alpha parameter can enhance both thermoelectric and thermopower.

The unique characteristics of penta-graphene structures have captivated scientists.Through our tight-binding and Hubbard calculations, we have made a prediction that the penta-graphene monolayer acts as a semiconductor. Our findings demonstrate that by applying influences like a field parallel magnetic field and voltage bias the band gap of this material decreases. This ability to manipulate its properties holds promise for practical applications in electronics. In this study, we delve into the impact of fields parallel magnetic fields and voltage bias, on the thermal conductivity, electrical conductivity, and Seebeck coefficient of penta-graphene structure using the tight-binding, Hubbard model, and Green function approach. Our analysis explains that the penta-graphene structure is a p-semiconductor, which is changed to an n-semiconductor by on-site Coulomb repulsion. This strategy displays that thermal and electrical conductivity decreases under the effect of parallel magnetic fields. The results presented to control the thermoelectric and electronic properties of the penta-graphene structure can promise a great future for this material in the field of thermoelectric and nanoelectric devices application.

We calculate the optical absorption rate, refractive index, and absorption coefficient of the tetragonal Germanene layer under the influence of bias voltage and a transverse magnetic field. To explore local Coulomb interactions among the electrons, we apply the Hubbard model Hamiltonian to determine the electronic density of states. Our analysis focuses on the impact of bias voltage, Hubbard parameter, and transverse magnetic field strength on the frequency-dependent optical absorption and refractive index of tetragonal Germanene. Utilizing linear response theory and Green’s function approach, we derive the frequency behavior of these optical properties. Furthermore, we study the transmissivity and reflectivity of electromagnetic waves at normal incidence when interacting with a tetragonal Germanene layer positioned between two dielectric media. Our numerical results reveal that the frequency-dependent optical absorption exhibits a peak in the presence of both magnetic fields and bias voltage. Additionally, we observe the presence of Drude weight at very low frequencies in the optical absorption of the tetragonal Germanene monolayer.

This study utilizes the Kane-Mele (KM) and Hubbard models to investigate the thermodynamic and magnetic properties of the alpha-T-3 system, a two-dimensional (2D) material with unique electronic characteristics. The alpha-T-3 system features a distinct flat band in its electronic structure, influencing its behavior under various external conditions such as spin-orbit coupling (SOC), on-site Coulomb repulsion (OSCR), temperature, and doping. The research demonstrates how SOC and OSCR significantly change the electronic density of states, electronic heat capacity, and Pauli magnetic susceptibility. Notably, SOC induces band splitting, while increased OSCR shifts and splits the flat band, enhancing thermodynamic properties. The results display that the alpha-T-3 system exhibits paramagnetic behavior for a SOC strength (lambda) of 0.5 eV and an alpha value of 0.5. An intriguing observation is that OSCR induces a transition from a paramagnetic phase to an antiferromagnetic phase. These findings highlight the potential of the alpha-T-3 system for applications in spintronics, thermal management, and nanoelectronics, offering new avenues for technological advancements in energy storage and sensing.

We present the behaviors of dynamical transverse spin susceptibilities of undoped phosphorene monolayer using the Green's function approach in the context of Kane-Mele model Hamiltonian. Such dynamical spin susceptibility is proportional to inelastic cross section of neutron beam from the layer. Specially, the effects of magnetic field and spin-orbit coupling strength on the spin excitation modes of phosphorene monolayer are investigated via calculating correlation function of spin density operators. Our results show the increase of magnetic field leads to move the magnetic excitation energy to higher values. Also, the intensity of peaks in inelastic cross section reduces with increase of magnetic field. We also show that applying both uniaxial and biaxial strains causes to decrease the intensity of peaks in dynamical spin susceptibility. Finally the effects of both compressive and tensile strains on frequency dependence of dynamical spin structure factor of phosphorene layer are studied. Moreover, the frequency positions of spin excitation mode of phosphorene layer have been investigated due to the effects of spin orbit coupling strength in details.

Our study delves into the dynamic and static spin structure factors of the alpha-T3 lattice, employing the Green's function approach, within the framework of the Kane-Mele and Hubbard model Hamiltonian. The dynamical spin susceptibility is directly related to the inelastic cross-section of the neutron beam interacting with the layer. Within this framework, analysis of the alpha-T3 lattice's spin excitation modes necessitates a thorough examination of the effect of the magnetic field, onsite Coulomb repulsion strength, and the spin-orbit coupling (SOC) parameter. This investigation is carried out by calculating the correlation function of the transverse components of spin density operators. Our findings reveal intriguing trends: The intensity of peaks in the inelastic crosssection varies with changes in on-site Coulomb repulsion. Moreover, our temperaturedependent assessment of the static spin structure factor indicates the manifestation of ferromagnetic behavior in the alpha-T3 lattice when alpha equals 0.5. Furthermore, the combined influence of SOC and magnetic fields amplifies the magnetic long-range order within the alpha-T3 lattice. The ability to manipulate the static spin structure factor and the imaginary dynamical transverse spin susceptibility holds promise across diverse domains, spanning from magnetic storage and spintronics to quantum computing and medical imaging.

T-graphene has four atoms in its unit cell and is a member of the graphene allotrope family. In this essay, our computations were done using the tight-binding approach and in the presence of an external magnetic field. Also, the Density of states (DOS), electronic heat capacity, and Pauli susceptibility of T-graphene monolayer under the influence of parameters such as external magnetic field, temperature, and strain have been studied with the help of Green's function model. On the other hand, the metallic property is evident in the DOS and band structure for the T-graphene monolayer. Observations of the electronic heat capacity's temperature dependence illustrate variable states, showing an increase under external magnetic field and tensile biaxial strain and a decrease under compressive biaxial strain. On the other hand, studies on the Pauli susceptibility under the control of different parameters show the paramagnetic property of the T-graphene monolayer.

In this study, we explored the electronic properties of a two-dimensional (2D) kagome lattice in the presence of an external magnetic field, spin-orbit coupling (SOC), and strain. Our focus was on investigating the energy-dependent behavior of the electronic heat capacity and paramagnetic spin susceptibility in response to changing factors. Employing the Green's function approach, we successfully determined the energy dependence of the electronic heat capacity and paramagnetic susceptibility using the tight-binding model. Notably, at low energies, the electronic heat capacity almost reaches the Schottky anomaly peak, while the paramagnetic susceptibility sharply decreases. Furthermore, we conducted a detailed investigation of the energy-dependent paramagnetic susceptibility and electronic heat capacity of a kagome lattice monolayer, considering the influences of SOC and magnetic field factors. Our investigation of the density of states (DOS) in the presence of SOC suggests that semimetal-to-insulator phase transitions occur. Additionally, throughout our study, we observed variations in the DOS spectrum, indicating the influence of both compressive and tensile strains. We found that these alterations, along with the splitting of levels under different conditions, led to changes in the material's electrical properties.

We compute electronic density of states, thermodynamic and optical conductivities of β-graphyne layer under applying biaxial strains. Particularly, the imaginary part of dielectric constant, which is proportional to the electromagnetic wave absorption rate, of β-graphyne due to the magnetic field and biaxial strain effects has been calculated. The temperature dependence of Pauli spin susceptibility and specific heat of the structure under applying magnetic field has been found. Tight binding model Hamiltonian has been applied for describing electron dynamics in β-graphyne layer in the presence of magnetic field. The effects of biaxial in-plane strain on the frequency behavior of the imaginary part of optical dielectric constant of β-graphyne layer. Linear response theory and Green’s function approach have been exploited to obtain the frequency behavior of optical behavior of the structure. Moreover, the frequency dependences of transmissivity and reflectivity of electromagnetic wave between two media separated by a β-graphyne layer are given. Our numerical results indicate that the frequency dependence of optical absorption shows a monotonic decreasing behavior for each compressive and tensile strain parameter. Also, the frequency dependence of transmissivity and reflectivity of electromagnetic wave between two media separated by β-graphyne layer for normal incidence has been investigated due to the effects of magnetic fields and strain parameters. The spin susceptibility of β-graphyne layer increases with magnetic field at fixed temperature however decreasing behavior for susceptibility is found for each value of magnetic field.

PURPOSE:To date, approximately 1400 inherited metabolic disorders (IMDs) have been described, some of which are treatable. It is estimated that 2% to 3% of live births worldwide are affected by treatable IMDs. Roughly 80% of IMDs are autosomal recessive, leading to a potentially higher incidence in regions with high consanguinity. METHODOLOGY:The study utilized genome sequencing data from 14,060 adult Qatari participants who were recruited by the Qatar Biobank and sequenced by the Qatar Genome Program. The genome sequencing data were analyzed for 125 nuclear genes known to be associated with 115 treatable IMDs. RESULTS:Our study identified 253 pathogenic/likely pathogenic single-nucleotide variations associated with 69 treatable IMDs, including 211 known and 42 novel predicted loss-of-function variants. We estimated that approximately 1 in 13 unrelated individuals (8%) carry a heterozygous pathogenic variant for at least 1 of 46 treatable IMDs. Notably, phenylketonuria/hyperphenylalaninemia and homocystinuria had among the highest carrier frequencies (1 in 68 and 1 in 85, respectively). CONCLUSION:Population-based studies of treatable IMDs, particularly in globally under-studied populations, can identify high-frequency alleles segregating in the community and inform public health policies, including carrier and newborn screening.

We present the behaviors of dynamical transverse spin susceptibilities of undoped β-graphyne monolayer using the Green’s function approach in the context of Hubbard model Hamiltonian. Such dynamical spin susceptibility is proportional to inelastic cross section of neutron beam from the layer. Specially, the effects of magnetic field, on-site coulomb repulsion strength and strain parameter on the spin excitation modes of β-graphyne monolayer are investigated via calculating correlation function of transverse components of spin density operators. Our results show the increase of absolute value of compressive strain parameter leads to move the magnetic excitation modes to higher energies. Also the intensity of peaks in inelastic cross section reduces with absolute value of compressive strain parameter. We also show that applying biaxial tensile strain causes to decrease the intensity of peaks in dynamical transverse spin susceptibility. Finally the effects of magnetic field and on-site coulomb repulsion interaction strength on frequency dependence of dynamical spin structure factor of β-graphyne layer are studied. Moreover the frequency positions of spin excitation mode of β-graphyne monolayer have been investigated due to the effects of biaxial strains, applied magnetic field and Hubbard parameter strength in details.

Background Autism spectrum disorder (ASD) is a neurodevelopmental condition characterized by impaired social and communication skills, restricted interests, and repetitive behaviors. The prevalence of ASD among children in Qatar was recently estimated to be 1.1%, though the genetic architecture underlying ASD both in Qatar and the greater Middle East has been largely unexplored. Here, we describe the first genomic data release from the BARAKA-Qatar Study—a nationwide program building a broadly consented biorepository of individuals with ASD and their families available for sample and data sharing and multi-omics research. Methods In this first release, we present a comprehensive analysis of whole-genome sequencing (WGS) data of the first 100 families (372 individuals), investigating the genetic architecture, including single-nucleotide variants (SNVs), copy number variants (CNVs), tandem repeat expansions (TREs), as well as mitochondrial DNA variants (mtDNA) segregating with ASD in local families. Results Overall, we identify potentially pathogenic variants in known genes or regions in 27 out of 100 families (27%), of which 11 variants (40.7%) were classified as pathogenic or likely-pathogenic based on American College of Medical Genetics (ACMG) guidelines. Dominant variants, including de novo and inherited, contributed to 15 (55.6%) of these families, consisting of SNVs/indels (66.7%), CNVs (13.3%), TREs (13.3%), and mtDNA variants (6.7%). Moreover, homozygous variants were found in 7 families (25.9%), with a sixfold increase in homozygous burden in consanguineous versus non-consanguineous families (13.6% and 1.8%, respectively). Furthermore, 28 novel ASD candidate genes were identified in 20 families, 23 of which had recurrent hits in MSSNG and SSC cohorts. Conclusions This study illustrates the value of ASD studies in under-represented populations and the importance of WGS as a comprehensive tool for establishing a molecular diagnosis for families with ASD. Moreover, it uncovers a significant role for recessive variation in ASD architecture in consanguineous settings and provides a unique resource of Middle Eastern genomes for future research to the global ASD community.

We have studied the optical conductivity of a quasi two-dimensional MoS_2 in the presence of external magnetic field and spin-orbit coupling. Specially, we address the frequency dependence of optical conductivity due to spin-orbit interaction. Using linear response theory the behavior of optical conductivity has been obtained within Green’s function method. We have also considered the effects of uniaxial and biaxial in-plane strain on the optical absorption of MoS_2 layer. In the absence of external magnetic field with negative uniaxial strain parameter, optical conductivity includes Drude weight at zero frequency limit while Drude weight vanishes for MoS_2 layer under positive uniaxial strain. Our results show that the increase of uniaxial positive strain parameter causes to move the position peak to the higher frequencies. In contrast to uniaxial strain case, the Drude weight in optical conductivity appears at positive biaxial strain value 0.15. Also we have studied the effects of magnetic field, electron doping, hole doping in the presence of spin-orbit coupling on frequency dependence of optical conductivity of MoS_2 in details. The magnetic field dependence of optical absorption shows a monotonic decreasing behavior for each value of temperature in the absence of strain parameter.

Extensive research is ongoing to improve the performance of thermoelectric and thermodynamic properties of the material because preventing energy waste is vital in modern society. Herein, we study the thermoelectric and thermodynamic properties of the GeCH3 single-layer (SL) under the influence of an external magnetic field, electron doping, and tensile and compressive biaxial strain by using the tight-binding and equilibrium Green’s function method. We found that the electronic heat capacity, magnetic susceptibility, and electronic thermal and electrical conductivity increase by employing an external magnetic field, electron doping, and tensile biaxial strain. However, compressive biaxial strain yields a decrease in thermoelectric and thermodynamic properties. The results of our study show that the GeCH3 SL is paramagnetic. The results presented here that the GeCH3 SL is a suitable alternative for use in thermoelectric, spintronic, and valleytronics devices.

In this research, we use the tight-binding model, which includes spin-orbit coupling and an external magnetic field, to describe the optical properties of the methyl-substituted germanane (GeCH3) monolayer. We have applied the Kubo formula, linear response theory, and Green's function approach to calculate the optical absorption coefficient of the GeCH3 monolayer. Here, the effects of an external magnetic field, strain, spin-orbit coupling, temperature, and electron/hole doping on the frequency dependence behavior of the optical conductivity have been investigated in detail. Our numerical results show that with increasing the external magnetic field, strain, and electron doping, the weight of the Drude increases. The optical absorption peak decreases and shifts to higher frequencies by applying an external magnetic field, strain, and electron doping. Controlling the optical and electronic properties of GeCH3 is leading to use this structure it in the electronic and optoelectronic industries.