arXiv subjects

Yu-Chang Chen

Publications and source records attributed to Yu-Chang Chen.

At least 19 recordsLinked to original sources

arXiv2026

Learning Preference from Observed Rankings

Estimating consumer preferences is central to many problems in economics and marketing. This paper develops a flexible framework for learning individual preferences from partial ranking information by interpreting observed rankings as collections of pairwise comparisons with logistic choice probabilities. We model latent utility as the sum of interpretable product attributes, item fixed effects, and a low-rank user-item factor structure, enabling both interpretability and information sharing across consumers and items. We further correct for selection in which comparisons are observed: a comparison is recorded only if both items enter the consumer's consideration set, inducing exposure bias toward frequently encountered items. We model pair observability as the product of item-level observability propensities and estimate these propensities with a logistic model for the marginal probability that an item is observable. Preference parameters are then estimated by maximizing an inverse-probability-weighted (IPW), ridge-regularized log-likelihood that reweights observed comparisons toward a target comparison population. To scale computation, we propose a stochastic gradient descent (SGD) algorithm based on inverse-probability resampling, which draws comparisons in proportion to their IPW weights. In an application to transaction data from an online wine retailer, the method improves out-of-sample recommendation performance relative to a popularity-based benchmark, with particularly strong gains in predicting purchases of previously unconsumed products.

stat.ML↗

arXiv2026

The Proximal Surrogate Index: Long-Term Treatment Effects under Unobserved Confounding

We study the identification and estimation of long-term treatment effects under unobserved confounding by combining an experimental sample, where the long-term outcome is missing, with an observational sample, where the treatment assignment is unobserved. While standard surrogate index methods fail when unobserved confounders exist, we establish novel identification results by leveraging proxy variables for the unobserved confounders. We further develop multiply robust estimation and inference procedures based on these results. Applying our method to the Job Corps program, we demonstrate its ability to recover experimental benchmarks even when unobserved confounders bias standard surrogate index estimates.

econ.EM↗

arXiv2025

Band Gap Engineering of Nitrogen-Doped Monolayer WSe$_2$ Superlattice and its application to Field Effect Transistor

We systematically investigate the electronic structures of pristine monolayer WSe$_2$ and WSe$_2$ superlattices with periodic nitrogen substitution. Unlike random doping, which often introduces in-gap impurity states, periodic nitrogen doping primarily modulates the band gap, thereby facilitating effective band gap engineering for electronic and optoelectronic applications. The gap narrows monotonically with increasing dopant density (pristine $>$ 8-row $>$ 6-row $>$ 4-row), directly influencing device switching. We also evaluate the FET performance of nanojunctions created by these configurations by examining the contour plot of current density as a function of temperature and gate voltage, which quantifies how bandgap engineering affects switching characteristics. Our calculations clarify the classical-quantum crossover in sub-10 nm 2D FETs: as $T$ rises, $J$ approaches the thermionic current; as $T$ falls, quantum tunneling dominates, and the steep energy dependence of $\tau(E)$ may break the classical limit of subthreshold swing imposed by the Boltzmann tyranny. The optimal gating range ($V_g^\mathrm{ON}$, $V_g^\mathrm{OFF}$) is investigated for each temperature, insensitive to temperature in the high-temperature regime, confirming the good thermal stability of the FET devices. A comparison study demonstrates that the 4-row structure, with large $J_\mathrm{OFF}$ and restricted operation range, is inappropriate for realistic FET applications. The pristine structure has a high $V_g^\mathrm{OFF}$ ($\sim$1.1 V) makes it less practical, since such a large threshold voltage may promote time-dependent dielectric breakdown (TDDB) of the oxide layer, reducing device dependability. The 6-row and 8-row structures exhibit more favorable $V_g^\mathrm{OFF}$ values ($\sim$0.75 V), achieving compromise, making them more promising candidates for future FET integration.

cond-mat.mes-hall↗

arXiv2025

Classical-to-Quantum Crossover in 2D TMD Field-Effect Transistors: A First-Principles Study via Sub-10 nm Channel Scaling Beyond the Boltzmann Tyranny

Scaling field-effect transistors (FETs) into the sub-10-nm regime fundamentally alters the transport mechanism, challenging long-standing design rules. This study investigates monolayer TMD FETs with channel lengths from 12 nm to 3 nm, quantifying the competition between semiclassical thermionic current and quantum tunneling. We show that quantum transport, as described by the Landauer formula, asymptotically approaches classical thermionic emission in the long-channel and high-temperature limit, in accordance with Richardson law. A competition parameter $\zeta$ cleanly delineates the semiclassical-to-quantum transition, and two characteristic temperatures emerge: $T_{op}$ (minimizing $J_{OFF}$ and $T_{c}$ (thermionic onset). For $L_{ch}<9$ nm, $T_{op}<300$ K and $J_{OFF}$ is tunneling-dominated; the 3 nm device remains tunneling-dominated up to 500 K and achieves a subthreshold swing overcoming Boltzmann tyranny via the steep slope of $\tau(E)$. However, the short-channel effect also generates leakage current and makes the transistor difficult to turn off. For $L_{ch} \geq 9$ nm, $T_{op}>300$ K and $J_{OFF}$ is thermionic-dominated, and the subthreshold swing approaches Boltzmann tyranny scaled by $\alpha_{in}}$. Consequently, the ideal channel length for 2D FETs is $L_{ch} \approx 10$ nm. These results provide criteria for selecting the optimal operating temperature and gate-voltage windows in miniaturizing 2D FETs, and pinpoint the crossover at which quantum tunneling current becomes comparable to semiclassical thermionic emission.

cond-mat.mes-hall↗

arXiv2025

Thermoelectric optimization and quantum-to-classical crossover in gate-controlled two-dimensional semiconducting nanojunctions

We investigate the thermoelectric performance of 2D nanojunctions with gate tunable architectures and varying channel lengths from 3 to 12 nm using a combination of first principles simulations, including density functional theory, DFT with nonequilibrium Greens function formalism (nanoDCAL), and nonequilibrium molecular dynamics simulations. Our study reveals a gate, temperature, and length dependent transition from quantum to classical in electron transport, transitioning from quantum tunneling in short junctions to thermionic emission in longer ones. We observe nontrivial dependencies of the thermoelectric figure of merit on the Seebeck coefficient, electrical conductivities, and thermal conductivities as a result of this crossover and gate controlling. We identify that maximizing ZT requires tuning the chemical potential just outside the band gap, where the system lies at the transition between insulating and conducting regimes. While extremely large Seebeck coefficients are observed in the insulating state, they do not yield high ZT due to suppressed electrical conductivity and dominant phononic thermal transport. The optimal ZT larger than 2.3 is achieved in the shortest 3 nm junction at 500 K, where quantum tunneling and thermionic emission coexist. These findings offer fundamental insights into transport mechanisms in 2D semiconducting nanojunctions and present design principles for high efficiency nanoscale thermoelectric devices.

cond-mat.mes-hall↗

arXiv2025

Quantum transport calculations: An effective medium theory based on the projector augmented wave method with the plane-wave basis

We present an effective medium theory based on density functional theory that is implemented in VASP using the PAW method with a plane wave basis set. The transmission coefficient is derived through three complementary approaches: the current density relation J=nqv, the field operator method, and the nonquilibrium Green's function formalism. We compare transmission coefficients calculated using EMT-PW with results from NEGF-DFT, based on the NanoDCAL package utilizing a linear combination of atomic orbitals (LCAO) basis set, for both periodic and nonperiodic boundary conditions. The minor discrepancies observed are attributed to differences in basis sets, pseudopotentials, and the treatment of lead regions. Notably, the EMT-PW framework avoids the common issue of overcompleteness encountered in non-equilibrium transport theories and allows for the decomposition of the total transmission coefficient into contributions from individual eigenstates. Furthermore, when combined with an effective gate model, EMT-PW is shown to be a powerful tool for analyzing current characteristics in nanodevices under applied gate voltages. By leveraging one-electron wavefunctions in eigenstates, this method provides a robust foundation for exploring the quantum statistics of electrons and current quantum correlations within the second quantization framework.

cond-mat.mes-hall↗

arXiv2024

On the Consistency of Bayesian Adaptive Testing under the Rasch Model

This study establishes the consistency of Bayesian adaptive testing methods under the Rasch model, addressing a gap in the literature on their large-sample guarantees. Although Bayesian approaches are recognized for their finite-sample performance and capability to circumvent issues such as the cold-start problem; however, rigorous proofs of their asymptotic properties, particularly in non-i.i.d. structures, remain lacking. We derive conditions under which the posterior distributions of latent traits converge to the true values for a sequence of given items, and demonstrate that Bayesian estimators remain robust under the mis-specification of the prior. Our analysis then extends to adaptive item selection methods in which items are chosen endogenously during the test. Additionally, we develop a Bayesian decision-theoretical framework for the item selection problem and propose a novel selection that aligns the test process with optimal estimator performance. These theoretical results provide a foundation for Bayesian methods in adaptive testing, complementing prior evidence of their finite-sample advantages.

stat.ME↗

arXiv2022

Global Representation of the Conditional LATE Model: A Separability Result

This paper studies the latent index representation of the conditional LATE model, making explicit the role of covariates in treatment selection. We find that if the directions of the monotonicity condition are the same across all values of the conditioning covariate, which is often assumed in the literature, then the treatment choice equation has to satisfy a separability condition between the instrument and the covariate. This global representation result establishes testable restrictions imposed on the way covariates enter the treatment choice equation. We later extend the representation theorem to incorporate multiple ordered levels of treatment.

econ.EM↗

arXiv2022

Personalized Subsidy Rules

Subsidies are commonly used to encourage behaviors that can lead to short- or long-term benefits. Typical examples include subsidized job training programs and provisions of preventive health products, in which both behavioral responses and associated gains can exhibit heterogeneity. This study uses the marginal treatment effect (MTE) framework to study personalized assignments of subsidies based on individual characteristics. First, we derive the optimality condition for a welfare-maximizing subsidy rule by showing that the welfare can be represented as a function of the MTE. Next, we show that subsidies generally result in better welfare than directly mandating the encouraged behavior because subsidy rules implicitly target individuals through unobserved heterogeneity in the behavioral response. When there is positive selection, that is, when individuals with higher returns are more likely to select the encouraged behavior, the optimal subsidy rule achieves the first-best welfare, which is the optimal welfare if a policy-maker can observe individuals' private information. We then provide methods to (partially) identify the optimal subsidy rule when the MTE is identified and unidentified. Particularly, positive selection allows for the point identification of the optimal subsidy rule even when the MTE curve is not. As an empirical application, we study the optimal wage subsidy using the experimental data from the Jordan New Opportunities for Women pilot study.

econ.EM↗

arXiv2011

Counting Statistics of Parallel Al atomic wires

We have studied how the lateral interaction affects the electric conductance, the second-order current correlation (shot noise), and the third-order one (skewness) of a pair of parallel Al atomic wires. The field operator of wave function is introduced to calculate the current-current correlations. The corresponding wave functions are self-consistently obtained by iteration according to the Lippmann-Schwinger First-principles calculation. The results show that when the distance between two wires is sufficiently small, the bonding interaction near the Fermi level will induce a spatial delocalization of electrons. This leads to an electric conduction value greater than the sum of two uncorrelated atomic wire, and a side-band peak is generated around the maximum conductance. This correlation can also be observed from the shot noise and the skewness. In addition, we found that the three-order Fano factor is negatively related to the conductance.

cond-mat.mes-hall↗

arXiv2011

Current Streamline Flow on Current-induced Effects in Highly Asymmetric Molecular Junctions

From first-principles approaches, we illustrate that the current-induced forces and the selection rule for inelastic effects are highly relevant to the current density in an asymmetric molecular junction. The curved flow of current streamline around the asymmetric molecule may induce a net torque, which tends to rotate the benzene molecule, similar to the way a stream of water rotates a waterwheel. Thus, the Pt/benzene junction offers a practical system in the exploration of the possibility of atomic-scale motors. We also enumerate examples to show that the use of selection rule can lead to misjudgement of the importance of normal modes in the inelastic profiles when the detailed information about the current density is not considered.

cond-mat.mes-hall↗

arXiv2011

Atomic-scale Field-effect Transistor as a Thermoelectric Power Generator and Self-powered Device

Using first-principles approaches, we have investigated the thermoelectric properties and the energy conversion efficiency of the paired metal-Br-Al junction. Owing to the narrow states in the vicinity of the chemical potential, the nanojunction has large Seebeck coefficients such that it can be considered an efficient thermoelectric power generator. We also consider the nanojunction in a three-terminal geometry, where the current, voltage, power, and efficiency can be efficiently modulated by the gate voltages. Such current-voltage characteristics could be useful in the design of nano-scale electronic devices such, as a transistor or switch. Notably, the nanojunction as a transistor with a fixed finite temperature difference between electrodes can power itself using the Seebeck effect.

cond-mat.mes-hall↗

arXiv2011

Counting Statistics in Nanoscale Junctions

We present first-principles calculations for moments of the current up to the third order in atomic-scale junctions. The quantum correlations of the current are calculated using the current operator in terms of the wave functions obtained self-consistently within the static density-functional theory. We investigate the relationships of the conductance, the second, and the third moment of the current for carbon atom chains of various lengths bridging two metal electrodes in the linear and nonlinear regimes. The conductance, the second-, and the third-order Fano factors exhibit odd-even oscillation with the number of carbon atoms due to the full and half filled π* orbital near the Fermi levels. The third-order Fano factor and the conductance are positively correlated.

cond-mat.mes-hall↗

arXiv2010

Effect of Thermoelectric Cooling in Nanoscale Junctions

We propose a thermoelectric cooling device based on an atomic-sized junction. Using first-principles approaches, we investigate the working conditions and the coefficient of performance (COP) of an atomic-scale electronic refrigerator where the effects of phonon's thermal current and local heating are included. It is observed that the functioning of the thermoelectric nano-refrigerator is restricted to a narrow range of driving voltages. Compared with the bulk thermoelectric system with the overwhelmingly irreversible Joule heating, the 4-Al atomic refrigerator has a higher efficiency than a bulk thermoelectric refrigerator with the same $ZT$ due to suppressed local heating via the quasi-ballistic electron transport and small driving voltages. Quantum nature due to the size minimization offered by atomic-level control of properties facilitates electron cooling beyond the expectation of the conventional thermoelectric device theory.

cond-mat.mes-hall↗

arXiv2010

Seebeck Coefficients in Nanoscale Junctions: Effects of Electron-vibration Scattering and Local Heating

We report first-principles calculations of inelastic Seebeck coefficients in an aluminum monatomic junction. We compare the elastic and inelastic Seebeck coefficients with and without local heating. In the low temperature regime, the signature of normal modes in the profiles of the inelastic Seebeck effects is salient. The inelastic Seebeck effects are enhanced by the normal modes, and further magnified by local heating. In the high temperature regime, the inelastic Seebeck effects are weakly suppressed due to the quasi-ballistic transport.

cond-mat.mes-hall↗

arXiv2009

Seebeck coefficient of thermoelectric moleculat junction: First-principles calculations

A first-principles approach is presented for the thermoelectricity in molecular junctions formed by a single molecule contact. The study investigates the Seebeck coefficient considering the source-drain electrodes with distinct temperatures and chemical potentials in a three-terminal geometry junction. We compare the Seebeck coefficient in the amino-substituted and unsubstituted butanethiol junction and observe interesting thermoelectric properties in the amino-substituted junction. Due to the novel states around the Fermi levels introduced by the amino-substitution, the Seebeck coefficient could be easily modulated by using gate voltages and biases. When the temperature in one of the electrodes is fixed, the Seebeck coefficient varies significantly with the temperature in the other electrode, and such dependence could be modulated by varying the gate voltages. As the biases increase, richer features in the Seebeck coefficient are observed, which are closely related to the transmission functions in the vicinity of the left and right Fermi levels.

cond-mat.mes-hall↗

arXiv2009

Do Thermoelectric Materials in Nanojunctions Display Material Property or Junction Property?

The miniaturization of thermoelectric nanojunctions raises a fundamental question: do the thermoelectric quantities of the bridging materials in nanojunctions remain to display material properties or show junction properties? In order to answer this question, we investigate the Seebeck coefficient $S$ and the thermoelectric figure of merit $ZT$ especially in relation to the length characteristics of the junctions from the first-principles approaches. For $S$, the metallic atomic chains reveal strong length characteristics related to strong hybridization in the electronic structures between the atoms and electrodes, while the insulating molecular wires display strong material properties due to the cancelation of exponential scalings in the DOSs. For $ZT$, the atomic wires remain to show strong junction properties. However, the length chrematistics of the insulation molecular wires depend on a characteristic temperature $T_{0}= \sqrt{β/γ(l)}$ around 10K. When $T \ll T_{0}$, where the electron transport dominates the thermal current, the molecular junctions remain to show material properties. When $T \gg T_{0}$, where the phonon transport dominates the thermal current, the molecular junctions display junction properties.

cond-mat.mes-hall↗

arXiv2009

Efficiency of Energy Conversion in Thermoelectric Nanojunctions

Using first-principles approaches, this study investigated the efficiency of energy conversion in nanojunctions, described by the thermoelectric figure of merit $ZT$. We obtained the qualitative and quantitative descriptions for the dependence of $ZT$ on temperatures and lengths. A characteristic temperature: $T_{0}= \sqrt{β/γ(l)}$ was observed. When $T\ll T_{0}$, $ZT\propto T^{2}$. When $T\gg T_{0}$, $ZT$ tends to a saturation value. The dependence of $ZT$ on the wire length for the metallic atomic chains is opposite to that for the insulating molecules: for aluminum atomic (conducting) wires, the saturation value of $ZT$ increases as the length increases; while for alkanethiol (insulating) chains, the saturation value of $ZT$ decreases as the length increases. $ZT$ can also be enhanced by choosing low-elasticity bridging materials or creating poor thermal contacts in nanojunctions. The results of this study may be of interest to research attempting to increase the efficiency of energy conversion in nano thermoelectric devices.

cond-mat.mes-hall↗